SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'EPE'


List of Similar Pattern of Amino Acids

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click on the DrReposER ID to view details on interfaces and similar patterns of amino acids)
(Click on the view link on the last column to view superposed patterns of amino acids)
Filter list by:
DrReposER ID / Desc. Hit
PDBID		 Hit
Macromolecule		 Res.
Matches		 Interface HETATM RMSD Dali
Z-score		 Seq.
Identity (%)		 View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1A4L_B_DCFB853_2
(ADENOSINE DEAMINASE)		 1evq SERINE HYDROLASE
(Alicyclobacillus
acidocaldarius) 		4 / 5 HIS A  93
LEU A 115
SER A 185
GLY A  84
 None
None
EPE  A 455 (-3.3A)
EPE  A 455 (-3.3A)
 1.06A 1a4lB-1evqA:
undetectable		 1a4lB-1evqA:
23.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1BDW_A_DVAA6_0
(GRAMICIDIN A)		 5bnc HEME BINDING PROTEIN
MSMEG_6519
(Mycolicibacteriu
m
smegmatis) 		3 / 3 ALA A 106
VAL A 108
TRP A 157
 None
EPE  A 304 ( 4.7A)
None
 0.74A 1bdwA-5bncA:
undetectable
1bdwB-5bncA:
undetectable		 1bdwA-5bncA:
5.58
1bdwB-5bncA:
5.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DX6_A_GNTA602_1
(ACETYLCHOLINESTERASE)		 1evq SERINE HYDROLASE
(Alicyclobacillus
acidocaldarius) 		5 / 12 GLY A  82
GLY A  83
GLY A  84
SER A 155
HIS A 282
 EPE  A 455 (-3.5A)
EPE  A 455 (-3.3A)
EPE  A 455 (-3.3A)
EPE  A 455 (-1.4A)
EPE  A 455 (-4.0A)
 0.23A 1dx6A-1evqA:
18.1		 1dx6A-1evqA:
23.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DX6_A_GNTA602_1
(ACETYLCHOLINESTERASE)		 1evq SERINE HYDROLASE
(Alicyclobacillus
acidocaldarius) 		5 / 12 GLY A  82
GLY A  84
SER A 155
PHE A 214
HIS A 282
 EPE  A 455 (-3.5A)
EPE  A 455 (-3.3A)
EPE  A 455 (-1.4A)
EPE  A 455 (-4.8A)
EPE  A 455 (-4.0A)
 0.95A 1dx6A-1evqA:
18.1		 1dx6A-1evqA:
23.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DX6_A_GNTA602_1
(ACETYLCHOLINESTERASE)		 1jji CARBOXYLESTERASE
(Archaeoglobus
fulgidus) 		6 / 12 GLY A  87
GLY A  88
GLY A  89
SER A 160
PHE A 218
HIS A 285
 EPE  A 455 ( 4.0A)
EPE  A 455 (-3.7A)
EPE  A 455 (-3.4A)
EPE  A 455 (-1.6A)
EPE  A 455 ( 4.9A)
EPE  A 455 (-4.6A)
 1.02A 1dx6A-1jjiA:
18.7		 1dx6A-1jjiA:
21.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DX6_A_GNTA602_1
(ACETYLCHOLINESTERASE)		 5w1u CARBOXYLIC ESTER
HYDROLASE
(Culex
quinquefasciatus) 		7 / 12 GLY A 108
GLY A 109
GLY A 110
SER A 191
TRP A 224
PHE A 281
HIS A 442
 EPE  A 600 ( 3.9A)
EPE  A 600 (-3.0A)
EPE  A 600 ( 4.4A)
MLI  A 601 ( 3.8A)
MLI  A 601 (-3.4A)
MLI  A 601 (-3.7A)
EPE  A 600 ( 4.0A)
 0.83A 1dx6A-5w1uA:
40.9		 1dx6A-5w1uA:
29.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1E3V_A_DXCA801_0
(STEROID
DELTA-ISOMERASE)		 3qz4 ENDO-1,4-BETA-XYLANA
SE D
(Bacteroides
thetaiotaomicron) 		5 / 12 ASP A  39
TYR A 243
GLY A 308
ASP A 163
ALA A 101
 EPE  A 338 (-2.7A)
None
None
EPE  A 338 ( 4.6A)
UNX  A 334 ( 4.8A)
 0.93A 1e3vA-3qz4A:
undetectable		 1e3vA-3qz4A:
14.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1E3V_B_DXCB801_0
(STEROID
DELTA-ISOMERASE)		 3qz4 ENDO-1,4-BETA-XYLANA
SE D
(Bacteroides
thetaiotaomicron) 		5 / 11 ASP A  39
TYR A 243
GLY A 308
ASP A 163
ALA A 101
 EPE  A 338 (-2.7A)
None
None
EPE  A 338 ( 4.6A)
UNX  A 334 ( 4.8A)
 0.95A 1e3vB-3qz4A:
undetectable		 1e3vB-3qz4A:
14.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1EI6_C_PPFC413_1
(PHOSPHONOACETATE
HYDROLASE)		 2hx1 PREDICTED SUGAR
PHOSPHATASES OF THE
HAD SUPERFAMILY
(Cytophaga
hutchinsonii) 		4 / 8 ASP A 169
THR A 236
HIS A 235
ILE A 238
 EPE  A 307 (-3.7A)
None
None
None
 1.01A 1ei6C-2hx1A:
undetectable		 1ei6C-2hx1A:
21.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1EKJ_A_ACTA3001_0
(BETA-CARBONIC
ANHYDRASE)		 1g5c BETA-CARBONIC
ANHYDRASE
(Methanothermobac
ter
thermautotrophic
us) 		5 / 8 CYH A  32
ASP A  34
HIS A  87
CYH A  90
GLY A  91
 ZN  A1001 (-2.4A)
EPE  A2201 (-3.3A)
ZN  A1001 (-3.2A)
ZN  A1001 ( 2.3A)
None
 0.77A 1ekjA-1g5cA:
13.4
1ekjB-1g5cA:
13.1		 1ekjA-1g5cA:
24.07
1ekjB-1g5cA:
24.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1EKJ_A_ACTA3003_0
(BETA-CARBONIC
ANHYDRASE)		 1g5c BETA-CARBONIC
ANHYDRASE
(Methanothermobac
ter
thermautotrophic
us) 		5 / 8 CYH A  32
ASP A  34
HIS A  87
CYH A  90
GLY A  91
 ZN  A1001 (-2.4A)
EPE  A2201 (-3.3A)
ZN  A1001 (-3.2A)
ZN  A1001 ( 2.3A)
None
 0.70A 1ekjA-1g5cA:
13.4
1ekjB-1g5cA:
13.1		 1ekjA-1g5cA:
24.07
1ekjB-1g5cA:
24.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1EKJ_E_ACTE3005_0
(BETA-CARBONIC
ANHYDRASE)		 1g5c BETA-CARBONIC
ANHYDRASE
(Methanothermobac
ter
thermautotrophic
us) 		4 / 7 CYH A  32
ASP A  34
HIS A  87
GLY A  91
 ZN  A1001 (-2.4A)
EPE  A2201 (-3.3A)
ZN  A1001 (-3.2A)
None
 0.73A 1ekjE-1g5cA:
13.0
1ekjF-1g5cA:
12.7		 1ekjE-1g5cA:
24.07
1ekjF-1g5cA:
24.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1EKJ_G_ACTG3002_0
(BETA-CARBONIC
ANHYDRASE)		 1g5c BETA-CARBONIC
ANHYDRASE
(Methanothermobac
ter
thermautotrophic
us) 		4 / 8 ASP A  34
HIS A  87
CYH A  90
GLY A  91
 EPE  A2201 (-3.3A)
ZN  A1001 (-3.2A)
ZN  A1001 ( 2.3A)
None
 0.93A 1ekjG-1g5cA:
13.2
1ekjH-1g5cA:
13.3		 1ekjG-1g5cA:
24.07
1ekjH-1g5cA:
24.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1EKJ_G_ACTG3002_0
(BETA-CARBONIC
ANHYDRASE)		 1g5c BETA-CARBONIC
ANHYDRASE
(Methanothermobac
ter
thermautotrophic
us) 		5 / 8 CYH A  32
ASP A  34
HIS A  87
CYH A  90
GLY A  91
 ZN  A1001 (-2.4A)
EPE  A2201 (-3.3A)
ZN  A1001 (-3.2A)
ZN  A1001 ( 2.3A)
None
 0.72A 1ekjG-1g5cA:
13.2
1ekjH-1g5cA:
13.3		 1ekjG-1g5cA:
24.07
1ekjH-1g5cA:
24.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1EKJ_H_ACTH3006_0
(BETA-CARBONIC
ANHYDRASE)		 1g5c BETA-CARBONIC
ANHYDRASE
(Methanothermobac
ter
thermautotrophic
us) 		4 / 6 CYH A  32
ASP A  34
HIS A  87
CYH A  90
 ZN  A1001 (-2.4A)
EPE  A2201 (-3.3A)
ZN  A1001 (-3.2A)
ZN  A1001 ( 2.3A)
 0.21A 1ekjG-1g5cA:
13.2
1ekjH-1g5cA:
13.3		 1ekjG-1g5cA:
24.07
1ekjH-1g5cA:
24.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1FFY_A_MRCA1993_1
(ISOLEUCYL-TRNA
SYNTHETASE)		 4qqs GLYCOSIDE HYDROLASE
FAMILY 43
(Halothermothrix
orenii) 		5 / 12 HIS A 273
GLY A 255
ASN A 257
GLY A 196
ASP A 126
 None
None
None
NA  A 402 ( 4.6A)
EPE  A 401 (-2.7A)
 1.22A 1ffyA-4qqsA:
undetectable		 1ffyA-4qqsA:
15.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1GHM_A_CEDA1_1
(BETA-LACTAMASE)		 1n9b BETA-LACTAMASE SHV-2
(Klebsiella
pneumoniae) 		7 / 12 SER A  70
LYS A  73
SER A 130
ASN A 132
LYS A 234
GLY A 236
ARG A 244
 EPE  A 400 (-3.7A)
None
EPE  A 400 (-2.5A)
None
EPE  A 400 (-3.1A)
EPE  A 400 (-3.1A)
MA4  A 310 ( 3.8A)
 0.66A 1ghmA-1n9bA:
32.4		 1ghmA-1n9bA:
29.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1GHM_A_CEDA1_1
(BETA-LACTAMASE)		 3lez BETA-LACTAMASE
(Oceanobacillus
iheyensis) 		6 / 12 SER A  85
LYS A  88
ASN A 145
LYS A 247
GLY A 249
ARG A 256
 EPE  A 305 (-3.4A)
None
None
EPE  A 305 (-3.1A)
EPE  A 305 (-3.4A)
EPE  A 305 (-3.7A)
 0.31A 1ghmA-3lezA:
39.6		 1ghmA-3lezA:
34.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1GHM_A_CEDA1_1
(BETA-LACTAMASE)		 3lez BETA-LACTAMASE
(Oceanobacillus
iheyensis) 		6 / 12 SER A  85
SER A 143
ASN A 145
LYS A 247
GLY A 249
ARG A 256
 EPE  A 305 (-3.4A)
EPE  A 305 (-2.5A)
None
EPE  A 305 (-3.1A)
EPE  A 305 (-3.4A)
EPE  A 305 (-3.7A)
 0.59A 1ghmA-3lezA:
39.6		 1ghmA-3lezA:
34.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1GTI_B_CCSB47_0
(GLUTATHIONE
S-TRANSFERASE)		 3qqi HEMAGGLUTININ
(Influenza
A
virus) 		4 / 7 LEU A 194
THR A 155
LEU A 251
GLY A 249
 None
EPE  A3380 ( 3.7A)
None
None
 0.81A 1gtiB-3qqiA:
undetectable		 1gtiB-3qqiA:
20.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1H60_A_STRA500_1
(PENTAERYTHRITOL
TETRANITRATE
REDUCTASE)		 4rnw NADPH DEHYDROGENASE
1
(Saccharomyces
pastorianus) 		5 / 9 THR A 136
TYR A 181
HIS A 290
TYR A 295
TYR A  75
 FMN  A 401 (-3.7A)
EPE  A 402 ( 3.8A)
FMN  A 401 ( 3.5A)
EPE  A 402 (-4.4A)
EPE  A 402 ( 3.7A)
 0.78A 1h60A-4rnwA:
7.4		 1h60A-4rnwA:
28.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1H7X_A_URFA1033_1
(DIHYDROPYRIMIDINE
DEHYDROGENASE)		 5je8 3-HYDROXYISOBUTYRATE
DEHYDROGENASE
(Bacillus
cereus) 		4 / 6 ILE A 179
ASN A 175
SER A 122
THR A  96
 EPE  A 402 (-4.8A)
None
EPE  A 402 (-3.4A)
NAD  A 401 (-4.0A)
 1.26A 1h7xA-5je8A:
undetectable		 1h7xA-5je8A:
17.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1H7X_C_URFC1033_1
(DIHYDROPYRIMIDINE
DEHYDROGENASE)		 5je8 3-HYDROXYISOBUTYRATE
DEHYDROGENASE
(Bacillus
cereus) 		4 / 6 ILE A 179
ASN A 175
SER A 122
THR A  96
 EPE  A 402 (-4.8A)
None
EPE  A 402 (-3.4A)
NAD  A 401 (-4.0A)
 1.27A 1h7xC-5je8A:
2.1		 1h7xC-5je8A:
17.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1H7X_D_URFD1033_1
(DIHYDROPYRIMIDINE
DEHYDROGENASE)		 5je8 3-HYDROXYISOBUTYRATE
DEHYDROGENASE
(Bacillus
cereus) 		4 / 6 ILE A 179
ASN A 175
SER A 122
THR A  96
 EPE  A 402 (-4.8A)
None
EPE  A 402 (-3.4A)
NAD  A 401 (-4.0A)
 1.27A 1h7xD-5je8A:
4.1		 1h7xD-5je8A:
17.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HRK_A_CHDA1503_0
(FERROCHELATASE)		 2xy9 ANGIOTENSIN-CONVERTI
NG ENZYME
(Homo
sapiens) 		3 / 3 LEU A 397
PRO A 398
LEU A 401
 None
EPE  A1634 (-3.6A)
None
 0.49A 1hrkA-2xy9A:
undetectable		 1hrkA-2xy9A:
21.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HTT_C_HISC450_0
(HISTIDYL-TRNA
SYNTHETASE)		 1vey PEPTIDE DEFORMYLASE
(Leptospira
interrogans) 		5 / 12 GLU A 144
ARG A  70
TYR A  71
GLY A  46
GLY A  48
 EPE  A1716 (-3.1A)
EPE  A1716 (-3.4A)
EPE  A1716 (-3.2A)
EPE  A1716 (-3.1A)
EPE  A1716 (-4.1A)
 1.13A 1httC-1veyA:
undetectable		 1httC-1veyA:
17.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HXB_A_ROCA100_3
(HIV-1 PROTEASE)		 2ynm LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE
IRON-SULFUR
ATP-BINDING PROTEIN
LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT N
(Prochlorococcus
marinus) 		5 / 12 LEU A  87
ALA C  71
GLY A 126
VAL A  83
ILE A  84
 None
None
SF4  A1302 (-3.9A)
None
EPE  A1298 (-4.9A)
 0.96A 1hxbB-2ynmA:
undetectable		 1hxbB-2ynmA:
18.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1I2W_A_CFXA1300_1
(BETA-LACTAMASE)		 1n9b BETA-LACTAMASE SHV-2
(Klebsiella
pneumoniae) 		8 / 12 SER A  70
LYS A  73
SER A 130
ASN A 132
GLU A 166
LYS A 234
GLY A 236
ALA A 237
 EPE  A 400 (-3.7A)
None
EPE  A 400 (-2.5A)
None
None
EPE  A 400 (-3.1A)
EPE  A 400 (-3.1A)
EPE  A 400 (-4.0A)
 0.65A 1i2wA-1n9bA:
34.6		 1i2wA-1n9bA:
36.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1I2W_A_CFXA1300_1
(BETA-LACTAMASE)		 3lez BETA-LACTAMASE
(Oceanobacillus
iheyensis) 		8 / 12 SER A  85
LYS A  88
ASN A 145
GLU A 179
THR A 229
LYS A 247
GLY A 249
ALA A 250
 EPE  A 305 (-3.4A)
None
None
None
EPE  A 305 ( 3.9A)
EPE  A 305 (-3.1A)
EPE  A 305 (-3.4A)
EPE  A 305 ( 4.1A)
 0.38A 1i2wA-3lezA:
44.1		 1i2wA-3lezA:
55.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1I2W_A_CFXA1300_1
(BETA-LACTAMASE)		 3lez BETA-LACTAMASE
(Oceanobacillus
iheyensis) 		7 / 12 SER A  85
SER A 143
ASN A 145
THR A 229
LYS A 247
GLY A 249
ALA A 250
 EPE  A 305 (-3.4A)
EPE  A 305 (-2.5A)
None
EPE  A 305 ( 3.9A)
EPE  A 305 (-3.1A)
EPE  A 305 (-3.4A)
EPE  A 305 ( 4.1A)
 0.61A 1i2wA-3lezA:
44.1		 1i2wA-3lezA:
55.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1I2W_A_CFXA1300_2
(BETA-LACTAMASE)		 1n9b BETA-LACTAMASE SHV-2
(Klebsiella
pneumoniae) 		4 / 5 TYR A 105
LEU A 169
THR A 235
ARG A 244
 EPE  A 400 (-3.6A)
None
EPE  A 400 (-3.8A)
MA4  A 310 ( 3.8A)
 0.39A 1i2wA-1n9bA:
34.6		 1i2wA-1n9bA:
36.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1I2W_A_CFXA1300_2
(BETA-LACTAMASE)		 3lez BETA-LACTAMASE
(Oceanobacillus
iheyensis) 		4 / 5 TYR A 118
LEU A 182
THR A 248
ARG A 256
 EPE  A 305 (-3.3A)
None
EPE  A 305 (-3.6A)
EPE  A 305 (-3.7A)
 0.34A 1i2wA-3lezA:
44.1		 1i2wA-3lezA:
55.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1I2W_B_CFXB2300_1
(BETA-LACTAMASE)		 1n9b BETA-LACTAMASE SHV-2
(Klebsiella
pneumoniae) 		8 / 12 SER A  70
LYS A  73
SER A 130
ASN A 132
GLU A 166
GLY A 236
ALA A 237
ARG A 244
 EPE  A 400 (-3.7A)
None
EPE  A 400 (-2.5A)
None
None
EPE  A 400 (-3.1A)
EPE  A 400 (-4.0A)
MA4  A 310 ( 3.8A)
 0.66A 1i2wB-1n9bA:
34.8		 1i2wB-1n9bA:
36.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1I2W_B_CFXB2300_1
(BETA-LACTAMASE)		 3lez BETA-LACTAMASE
(Oceanobacillus
iheyensis) 		9 / 12 SER A  85
LYS A  88
SER A 143
ASN A 145
GLU A 179
THR A 229
GLY A 249
ALA A 250
ARG A 256
 EPE  A 305 (-3.4A)
None
EPE  A 305 (-2.5A)
None
None
EPE  A 305 ( 3.9A)
EPE  A 305 (-3.4A)
EPE  A 305 ( 4.1A)
EPE  A 305 (-3.7A)
 0.56A 1i2wB-3lezA:
44.1		 1i2wB-3lezA:
55.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ICR_A_NIOA604_1
(OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE)		 3pgv HALOACID
DEHALOGENASE-LIKE
HYDROLASE
(Klebsiella
pneumoniae) 		4 / 5 SER A 177
THR A 178
GLU A 183
GLY A  43
 EPE  A 268 ( 4.3A)
GOL  A 272 (-4.1A)
None
EPE  A 268 (-3.7A)
 1.33A 1icrA-3pgvA:
undetectable
1icrB-3pgvA:
2.4		 1icrA-3pgvA:
22.45
1icrB-3pgvA:
22.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ICR_B_NIOB602_1
(OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE)		 3pgv HALOACID
DEHALOGENASE-LIKE
HYDROLASE
(Klebsiella
pneumoniae) 		4 / 5 GLU A 183
GLY A  43
SER A 177
THR A 178
 None
EPE  A 268 (-3.7A)
EPE  A 268 ( 4.3A)
GOL  A 272 (-4.1A)
 1.32A 1icrA-3pgvA:
undetectable
1icrB-3pgvA:
2.4		 1icrA-3pgvA:
22.45
1icrB-3pgvA:
22.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ICV_C_NIOC708_1
(OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE)		 3pgv HALOACID
DEHALOGENASE-LIKE
HYDROLASE
(Klebsiella
pneumoniae) 		4 / 5 SER A 177
THR A 178
GLU A 183
GLY A  43
 EPE  A 268 ( 4.3A)
GOL  A 272 (-4.1A)
None
EPE  A 268 (-3.7A)
 1.33A 1icvC-3pgvA:
3.1
1icvD-3pgvA:
undetectable		 1icvC-3pgvA:
22.45
1icvD-3pgvA:
22.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1KQB_B_BEZB525_0
(OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE)		 3pgv HALOACID
DEHALOGENASE-LIKE
HYDROLASE
(Klebsiella
pneumoniae) 		4 / 5 GLU A 183
GLY A  43
SER A 177
THR A 178
 None
EPE  A 268 (-3.7A)
EPE  A 268 ( 4.3A)
GOL  A 272 (-4.1A)
 1.31A 1kqbA-3pgvA:
undetectable
1kqbB-3pgvA:
2.5		 1kqbA-3pgvA:
21.25
1kqbB-3pgvA:
21.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1KVL_A_CLSA371_1
(BETA-LACTAMASE)		 5za2 BETA-LACTAMASE
(Escherichia
coli) 		6 / 10 GLY A  63
GLN A 120
ASN A 152
TYR A 222
THR A 315
GLY A 316
 NXL  A 401 (-3.8A)
NXL  A 401 ( 3.3A)
NXL  A 401 (-3.6A)
EPE  A 405 (-4.0A)
NXL  A 401 (-4.0A)
NXL  A 401 (-3.4A)
 1.29A 1kvlA-5za2A:
55.2		 1kvlA-5za2A:
13.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1KVL_A_CLSA371_1
(BETA-LACTAMASE)		 5za2 BETA-LACTAMASE
(Escherichia
coli) 		8 / 10 LEU A 119
GLN A 120
TYR A 150
ASN A 152
TYR A 222
LYS A 314
THR A 315
GLY A 316
 NXL  A 401 (-4.6A)
NXL  A 401 ( 3.3A)
NXL  A 401 (-4.0A)
NXL  A 401 (-3.6A)
EPE  A 405 (-4.0A)
NXL  A 401 (-2.9A)
NXL  A 401 (-4.0A)
NXL  A 401 (-3.4A)
 0.28A 1kvlA-5za2A:
55.2		 1kvlA-5za2A:
13.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1L2I_B_CCSB417_0
(ESTROGEN RECEPTOR)		 1bht HEPATOCYTE GROWTH
FACTOR
(Homo
sapiens) 		4 / 6 PHE A 190
GLU A 199
GLN A 150
LYS A 148
 EPE  A   1 (-4.4A)
None
None
None
 1.39A 1l2iB-1bhtA:
undetectable		 1l2iB-1bhtA:
19.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1L5R_A_RBFA859_1
(GLYCOGEN
PHOSPHORYLASE, LIVER
FORM)		 1tvp CELLULASE
(Pseudoalteromona
s
haloplanktis) 		5 / 11 ASN A 227
GLU A 238
HIS A 200
TYR A 204
ARG A 205
 None
None
EPE  A 700 (-4.0A)
None
None
 1.26A 1l5rA-1tvpA:
undetectable		 1l5rA-1tvpA:
16.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1M4I_A_KANA500_1
(AMINOGLYCOSIDE
2'-N-ACETYLTRANSFERA
SE)		 4qqs GLYCOSIDE HYDROLASE
FAMILY 43
(Halothermothrix
orenii) 		4 / 8 GLY A  38
SER A  88
ASP A 126
ASP A  17
 None
None
EPE  A 401 (-2.7A)
EPE  A 401 (-3.5A)
 0.73A 1m4iA-4qqsA:
undetectable		 1m4iA-4qqsA:
20.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1MAA_C_DMEC997_1
(ACETYLCHOLINESTERASE)		 1evq SERINE HYDROLASE
(Alicyclobacillus
acidocaldarius) 		5 / 12 GLY A  82
TYR A  79
SER A 155
PHE A 214
HIS A 282
 EPE  A 455 (-3.5A)
None
EPE  A 455 (-1.4A)
EPE  A 455 (-4.8A)
EPE  A 455 (-4.0A)
 1.35A 1maaC-1evqA:
18.0		 1maaC-1evqA:
23.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1MAA_C_DMEC997_1
(ACETYLCHOLINESTERASE)		 5w1u CARBOXYLIC ESTER
HYDROLASE
(Culex
quinquefasciatus) 		5 / 12 GLY A 108
TYR A 105
SER A 191
TYR A 428
HIS A 442
 EPE  A 600 ( 3.9A)
None
MLI  A 601 ( 3.8A)
EPE  A 600 (-3.3A)
EPE  A 600 ( 4.0A)
 1.32A 1maaC-5w1uA:
40.3		 1maaC-5w1uA:
31.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1MAA_C_DMEC997_1
(ACETYLCHOLINESTERASE)		 5w1u CARBOXYLIC ESTER
HYDROLASE
(Culex
quinquefasciatus) 		5 / 12 GLY A 109
TYR A 105
SER A 191
PHE A 281
HIS A 442
 EPE  A 600 (-3.0A)
None
MLI  A 601 ( 3.8A)
MLI  A 601 (-3.7A)
EPE  A 600 ( 4.0A)
 1.46A 1maaC-5w1uA:
40.3		 1maaC-5w1uA:
31.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1MAA_C_DMEC997_1
(ACETYLCHOLINESTERASE)		 5w1u CARBOXYLIC ESTER
HYDROLASE
(Culex
quinquefasciatus) 		5 / 12 GLY A 109
TYR A 105
SER A 191
TYR A 428
HIS A 442
 EPE  A 600 (-3.0A)
None
MLI  A 601 ( 3.8A)
EPE  A 600 (-3.3A)
EPE  A 600 ( 4.0A)
 1.17A 1maaC-5w1uA:
40.3		 1maaC-5w1uA:
31.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1MAA_C_DMEC997_1
(ACETYLCHOLINESTERASE)		 5w1u CARBOXYLIC ESTER
HYDROLASE
(Culex
quinquefasciatus) 		5 / 12 GLY A 109
TYR A 121
SER A 191
PHE A 281
HIS A 442
 EPE  A 600 (-3.0A)
EPE  A 600 (-4.2A)
MLI  A 601 ( 3.8A)
MLI  A 601 (-3.7A)
EPE  A 600 ( 4.0A)
 0.94A 1maaC-5w1uA:
40.3		 1maaC-5w1uA:
31.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1MX1_F_THAF6_1
(LIVER
CARBOXYLESTERASE I)		 5w1u CARBOXYLIC ESTER
HYDROLASE
(Culex
quinquefasciatus) 		5 / 12 GLY A 109
GLY A 110
SER A 191
PHE A 394
HIS A 442
 EPE  A 600 (-3.0A)
EPE  A 600 ( 4.4A)
MLI  A 601 ( 3.8A)
MLI  A 601 ( 4.1A)
EPE  A 600 ( 4.0A)
 0.47A 1mx1F-5w1uA:
39.2		 1mx1F-5w1uA:
30.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1OE1_A_CUA502_0
(DISSIMILATORY
COPPER-CONTAINING
NITRITE REDUCTASE)		 3jyf 2',3'-CYCLIC
NUCLEOTIDE
2'-PHOSPHODIESTERASE
/3'-NUCLEOTIDASE
BIFUNCTIONAL
PERIPLASMIC PROTEIN
(Klebsiella
pneumoniae) 		3 / 3 ASP A  61
HIS A 102
HIS A  18
 MN  A 342 (-2.9A)
EPE  A 341 ( 3.6A)
MN  A 340 (-3.5A)
 0.68A 1oe1A-3jyfA:
undetectable		 1oe1A-3jyfA:
24.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1OE3_A_CUA502_0
(DISSIMILATORY
COPPER-CONTAINING
NITRITE REDUCTASE)		 3jyf 2',3'-CYCLIC
NUCLEOTIDE
2'-PHOSPHODIESTERASE
/3'-NUCLEOTIDASE
BIFUNCTIONAL
PERIPLASMIC PROTEIN
(Klebsiella
pneumoniae) 		3 / 3 ASP A  61
HIS A 102
HIS A  18
 MN  A 342 (-2.9A)
EPE  A 341 ( 3.6A)
MN  A 340 (-3.5A)
 0.68A 1oe3A-3jyfA:
undetectable		 1oe3A-3jyfA:
24.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ONI_D_BEZD507_0
(14.5 KDA
TRANSLATIONAL
INHIBITOR PROTEIN)		 4rn7 N-ACETYLMURAMOYL-L-A
LANINE AMIDASE
(Clostridioides
difficile) 		4 / 7 ARG A 213
ALA A 216
ILE A 258
ILE A 242
 EPE  A 403 (-3.9A)
EPE  A 403 (-3.7A)
None
None
 0.77A 1oniD-4rn7A:
undetectable
1oniF-4rn7A:
undetectable		 1oniD-4rn7A:
24.43
1oniF-4rn7A:
24.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1P91_A_SAMA1401_0
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE A)		 3v8i DOPAMINE N
ACETYLTRANSFERASE,
ISOFORM A
(Drosophila
melanogaster) 		5 / 11 GLY A 159
GLY A 156
ILE A  24
TYR A  75
LEU A  69
 None
EPE  A 301 ( 4.1A)
None
None
None
 1.13A 1p91A-3v8iA:
undetectable		 1p91A-3v8iA:
22.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PJ7_A_FFOA2887_1
(N,N-DIMETHYLGLYCINE
OXIDASE)		 3wiw GLYCOSYL HYDROLASE
FAMILY 88
(Pedobacter
heparinus) 		3 / 3 ASP A 116
THR A  74
GLU A 369
 EPE  A 501 (-2.8A)
None
None
 0.69A 1pj7A-3wiwA:
undetectable		 1pj7A-3wiwA:
18.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1QTI_A_GNTA600_1
(ACETYLCHOLINESTERASE)		 1evq SERINE HYDROLASE
(Alicyclobacillus
acidocaldarius) 		6 / 12 GLY A  82
GLY A  83
GLY A  84
SER A 155
PHE A 214
HIS A 282
 EPE  A 455 (-3.5A)
EPE  A 455 (-3.3A)
EPE  A 455 (-3.3A)
EPE  A 455 (-1.4A)
EPE  A 455 (-4.8A)
EPE  A 455 (-4.0A)
 0.90A 1qtiA-1evqA:
17.4		 1qtiA-1evqA:
23.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1QTI_A_GNTA600_1
(ACETYLCHOLINESTERASE)		 1jji CARBOXYLESTERASE
(Archaeoglobus
fulgidus) 		6 / 12 GLY A  87
GLY A  88
GLY A  89
SER A 160
PHE A 218
HIS A 285
 EPE  A 455 ( 4.0A)
EPE  A 455 (-3.7A)
EPE  A 455 (-3.4A)
EPE  A 455 (-1.6A)
EPE  A 455 ( 4.9A)
EPE  A 455 (-4.6A)
 1.02A 1qtiA-1jjiA:
3.8		 1qtiA-1jjiA:
21.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1QTI_A_GNTA600_1
(ACETYLCHOLINESTERASE)		 5w1u CARBOXYLIC ESTER
HYDROLASE
(Culex
quinquefasciatus) 		6 / 12 GLY A 108
GLY A 109
GLY A 110
SER A 191
PHE A 281
HIS A 442
 EPE  A 600 ( 3.9A)
EPE  A 600 (-3.0A)
EPE  A 600 ( 4.4A)
MLI  A 601 ( 3.8A)
MLI  A 601 (-3.7A)
EPE  A 600 ( 4.0A)
 0.80A 1qtiA-5w1uA:
40.8		 1qtiA-5w1uA:
30.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1R15_C_NCAC439_0
(ADP-RIBOSYL CYCLASE)		 1ajk CIRCULARLY PERMUTED
(1-3,1-4)-BETA-D-GLU
CAN
4-GLUCANOHYDROLASE
(Paenibacillus
macerans) 		3 / 3 TRP A 165
PHE A 161
TRP A 101
 None
EPE  A 309 ( 4.9A)
EPE  A 309 (-4.1A)
 1.48A 1r15C-1ajkA:
0.0		 1r15C-1ajkA:
22.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1R15_F_NCAF469_0
(ADP-RIBOSYL CYCLASE)		 1ajk CIRCULARLY PERMUTED
(1-3,1-4)-BETA-D-GLU
CAN
4-GLUCANOHYDROLASE
(Paenibacillus
macerans) 		3 / 3 TRP A 165
PHE A 161
TRP A 101
 None
EPE  A 309 ( 4.9A)
EPE  A 309 (-4.1A)
 1.49A 1r15F-1ajkA:
0.0		 1r15F-1ajkA:
22.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1R15_G_NCAG479_0
(ADP-RIBOSYL CYCLASE)		 1ajk CIRCULARLY PERMUTED
(1-3,1-4)-BETA-D-GLU
CAN
4-GLUCANOHYDROLASE
(Paenibacillus
macerans) 		3 / 3 TRP A 165
PHE A 161
TRP A 101
 None
EPE  A 309 ( 4.9A)
EPE  A 309 (-4.1A)
 1.49A 1r15G-1ajkA:
0.0		 1r15G-1ajkA:
22.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1R15_H_NCAH489_0
(ADP-RIBOSYL CYCLASE)		 1ajk CIRCULARLY PERMUTED
(1-3,1-4)-BETA-D-GLU
CAN
4-GLUCANOHYDROLASE
(Paenibacillus
macerans) 		3 / 3 TRP A 165
PHE A 161
TRP A 101
 None
EPE  A 309 ( 4.9A)
EPE  A 309 (-4.1A)
 1.49A 1r15H-1ajkA:
0.0		 1r15H-1ajkA:
22.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RQP_A_SAMA500_1
(5'-FLUORO-5'-DEOXYAD
ENOSINE SYNTHASE)		 2ynm LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT B
(Prochlorococcus
marinus) 		4 / 7 ASP D 417
PHE D 179
SER D 403
ARG D 401
 EPE  D1529 (-3.0A)
None
EPE  D1529 (-3.0A)
None
 1.37A 1rqpB-2ynmD:
undetectable		 1rqpB-2ynmD:
20.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1SDU_B_MK1B902_1
(PROTEASE RETROPEPSIN)		 2ynm LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE
IRON-SULFUR
ATP-BINDING PROTEIN
LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT N
(Prochlorococcus
marinus) 		5 / 11 LEU A  87
ALA C  71
GLY A 126
VAL A  83
ILE A  84
 None
None
SF4  A1302 (-3.9A)
None
EPE  A1298 (-4.9A)
 0.97A 1sduA-2ynmA:
undetectable		 1sduA-2ynmA:
17.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1SN5_C_T3C601_1
(TRANSTHYRETIN)		 2x4d PHOSPHOLYSINE
PHOSPHOHISTIDINE
INORGANIC
PYROPHOSPHATE
PHOSPHATASE
(Homo
sapiens) 		4 / 6 LYS A 183
ALA A 184
LEU A 176
VAL A 186
 None
EPE  A 502 (-3.9A)
None
None
 0.95A 1sn5A-2x4dA:
undetectable		 1sn5A-2x4dA:
19.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1SN5_C_T3C601_2
(TRANSTHYRETIN)		 2x4d PHOSPHOLYSINE
PHOSPHOHISTIDINE
INORGANIC
PYROPHOSPHATE
PHOSPHATASE
(Homo
sapiens) 		4 / 8 LYS A 183
ALA A 184
LEU A 176
VAL A 186
 None
EPE  A 502 (-3.9A)
None
None
 0.97A 1sn5C-2x4dA:
undetectable		 1sn5C-2x4dA:
19.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1SN5_C_T3C601_2
(TRANSTHYRETIN)		 4q5w MATERNAL PROTEIN
TUDOR
(Drosophila
melanogaster) 		4 / 8 GLU A2000
THR A1981
ALA A1983
VAL A2119
 EPE  A2201 (-3.5A)
EPE  A2201 (-2.8A)
None
None
 0.68A 1sn5C-4q5wA:
undetectable		 1sn5C-4q5wA:
22.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1T03_P_TFOP822_1
(POL POLYPROTEIN
SYNTHETIC
OLIGONUCLEOTIDE
PRIMER)		 4fo1 LINCOSAMIDE
RESISTANCE PROTEIN
(Staphylococcus
haemolyticus) 		4 / 7 ASP A  48
TYR A  88
ASP A  90
ASP A  46
 EPE  A 201 (-3.6A)
None
None
None
 1.34A 1t03A-4fo1A:
undetectable		 1t03A-4fo1A:
15.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1T03_P_TFOP822_1
(POL POLYPROTEIN
SYNTHETIC
OLIGONUCLEOTIDE
PRIMER)		 4mu9 GLYCOSIDE HYDROLASE
FAMILY 73
(Bacteroides
thetaiotaomicron) 		4 / 7 ASP A 141
TYR A  63
ASP A 142
HIS A 196
 EPE  A 408 (-2.9A)
EDO  A 401 ( 4.9A)
EDO  A 401 ( 2.7A)
None
 1.35A 1t03A-4mu9A:
undetectable		 1t03A-4mu9A:
21.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1T3R_A_017A1200_2
(PROTEASE RETROPEPSIN)		 2ynm LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE
IRON-SULFUR
ATP-BINDING PROTEIN
LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT N
(Prochlorococcus
marinus) 		5 / 11 LEU A  87
ALA C  71
GLY A 126
VAL A  83
ILE A  84
 None
None
SF4  A1302 (-3.9A)
None
EPE  A1298 (-4.9A)
 0.84A 1t3rB-2ynmA:
undetectable		 1t3rB-2ynmA:
18.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1TDN_A_LEUA487_0
(L-AMINO ACID OXIDASE)		 3x0v L-LYSINE OXIDASE
(Trichoderma
viride) 		4 / 7 ARG A  68
PHE A 216
TYR A 369
TRP A 476
 EPE  A 602 ( 3.1A)
EPE  A 602 (-3.5A)
EPE  A 602 (-4.9A)
None
 0.66A 1tdnA-3x0vA:
37.8		 1tdnA-3x0vA:
25.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1TT6_B_DESB128_1
(TRANSTHYRETIN)		 2eyq TRANSCRIPTION-REPAIR
COUPLING FACTOR
(Escherichia
coli) 		4 / 5 LEU A 939
ALA A 910
LEU A 784
SER A 906
 EPE  A1151 (-4.0A)
None
None
EPE  A1152 (-2.8A)
 0.94A 1tt6B-2eyqA:
undetectable		 1tt6B-2eyqA:
8.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1TV8_B_SAMB2501_0
(MOLYBDENUM COFACTOR
BIOSYNTHESIS PROTEIN
A)		 4xzw ENDO-GLUCANASE
CHIMERA C10
(uncultured
bacterium;
Geobacillus
sp.
70PC53) 		4 / 7 TYR A 137
THR A  34
GLU A 230
MET A 125
 None
None
EPE  A 404 (-4.3A)
None
 0.89A 1tv8B-4xzwA:
4.1		 1tv8B-4xzwA:
21.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1TW4_B_CHDB1130_0
(FATTY ACID-BINDING
PROTEIN)		 2v9k UNCHARACTERIZED
PROTEIN FLJ32312
(Homo
sapiens) 		5 / 12 TYR A 414
LEU A 476
HIS A 491
ILE A 511
LEU A 514
 EPE  A1534 ( 4.9A)
None
None
None
None
 1.25A 1tw4B-2v9kA:
undetectable		 1tw4B-2v9kA:
13.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1TZ8_C_DESC129_1
(TRANSTHYRETIN)		 2eyq TRANSCRIPTION-REPAIR
COUPLING FACTOR
(Escherichia
coli) 		4 / 6 LEU A 939
ALA A 910
LEU A 784
SER A 906
 EPE  A1151 (-4.0A)
None
None
EPE  A1152 (-2.8A)
 1.04A 1tz8C-2eyqA:
undetectable
1tz8D-2eyqA:
undetectable		 1tz8C-2eyqA:
8.05
1tz8D-2eyqA:
8.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1UPF_B_URFB999_1
(URACIL
PHOSPHORIBOSYLTRANSF
ERASE)		 2dou PROBABLE
N-SUCCINYLDIAMINOPIM
ELATE
AMINOTRANSFERASE
(Thermus
thermophilus) 		4 / 7 ALA A 127
TYR A 124
ILE A 195
ASP A 197
 None
EPE  A 501 (-4.9A)
None
EPE  A 501 (-3.5A)
 0.78A 1upfB-2douA:
3.9		 1upfB-2douA:
24.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1V54_C_CHDC3525_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE I
CYTOCHROME C OXIDASE
POLYPEPTIDE III)		 3ec7 PUTATIVE
DEHYDROGENASE
(Salmonella
enterica) 		4 / 7 HIS A 176
ASP A 277
TYR A 129
HIS A 155
 EPE  A 401 (-4.0A)
None
None
EPE  A 401 (-4.4A)
 1.13A 1v54A-3ec7A:
undetectable
1v54C-3ec7A:
undetectable		 1v54A-3ec7A:
20.73
1v54C-3ec7A:
19.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1V54_P_CHDP4525_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE I
CYTOCHROME C OXIDASE
POLYPEPTIDE III)		 3ec7 PUTATIVE
DEHYDROGENASE
(Salmonella
enterica) 		4 / 7 HIS A 176
ASP A 277
TYR A 129
HIS A 155
 EPE  A 401 (-4.0A)
None
None
EPE  A 401 (-4.4A)
 1.09A 1v54N-3ec7A:
undetectable
1v54P-3ec7A:
undetectable		 1v54N-3ec7A:
20.73
1v54P-3ec7A:
19.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1V55_C_CHDC3525_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE I
CYTOCHROME C OXIDASE
POLYPEPTIDE III)		 3ec7 PUTATIVE
DEHYDROGENASE
(Salmonella
enterica) 		4 / 7 HIS A 176
ASP A 277
TYR A 129
HIS A 155
 EPE  A 401 (-4.0A)
None
None
EPE  A 401 (-4.4A)
 1.14A 1v55A-3ec7A:
undetectable
1v55C-3ec7A:
undetectable		 1v55A-3ec7A:
20.73
1v55C-3ec7A:
19.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1V55_P_CHDP4525_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE I
CYTOCHROME C OXIDASE
POLYPEPTIDE III)		 3ec7 PUTATIVE
DEHYDROGENASE
(Salmonella
enterica) 		4 / 7 HIS A 176
ASP A 277
TYR A 129
HIS A 155
 EPE  A 401 (-4.0A)
None
None
EPE  A 401 (-4.4A)
 1.11A 1v55C-3ec7A:
undetectable
1v55N-3ec7A:
undetectable
1v55P-3ec7A:
undetectable		 1v55C-3ec7A:
19.29
1v55N-3ec7A:
20.73
1v55P-3ec7A:
19.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1VAO_A_ACTA601_0
(VANILLYL-ALCOHOL
OXIDASE)		 3etc AMP-BINDING PROTEIN
(Methanosarcina
acetivorans) 		4 / 5 TYR A 277
PHE A 280
ILE A 303
TYR A 247
 EPE  A 996 (-3.5A)
None
None
EPE  A 996 (-4.4A)
 1.42A 1vaoA-3etcA:
3.6		 1vaoA-3etcA:
21.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1VAO_B_ACTB601_0
(VANILLYL-ALCOHOL
OXIDASE)		 3etc AMP-BINDING PROTEIN
(Methanosarcina
acetivorans) 		4 / 5 TYR A 277
PHE A 280
ILE A 303
TYR A 247
 EPE  A 996 (-3.5A)
None
None
EPE  A 996 (-4.4A)
 1.42A 1vaoB-3etcA:
3.6		 1vaoB-3etcA:
21.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1VM1_A_TAZA504_1
(BETA-LACTAMASE SHV-1)		 1n9b BETA-LACTAMASE SHV-2
(Klebsiella
pneumoniae) 		3 / 3 ASP A 104
TYR A 105
GLU A 110
 None
EPE  A 400 (-3.6A)
None
 0.30A 1vm1A-1n9bA:
47.5		 1vm1A-1n9bA:
99.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1VPT_A_SAMA400_0
(VP39)		 5za2 BETA-LACTAMASE
(Escherichia
coli) 		5 / 12 ILE A  62
GLY A  63
GLY A 319
ALA A 221
LEU A  69
 None
NXL  A 401 (-3.8A)
EPE  A 405 (-4.0A)
None
None
 1.04A 1vptA-5za2A:
undetectable		 1vptA-5za2A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1W6R_A_GNTA1536_1
(ACETYLCHOLINESTERASE)		 1evq SERINE HYDROLASE
(Alicyclobacillus
acidocaldarius) 		5 / 12 GLY A  82
GLY A  83
GLY A  84
SER A 155
HIS A 282
 EPE  A 455 (-3.5A)
EPE  A 455 (-3.3A)
EPE  A 455 (-3.3A)
EPE  A 455 (-1.4A)
EPE  A 455 (-4.0A)
 0.25A 1w6rA-1evqA:
18.0		 1w6rA-1evqA:
23.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1W6R_A_GNTA1536_1
(ACETYLCHOLINESTERASE)		 1evq SERINE HYDROLASE
(Alicyclobacillus
acidocaldarius) 		5 / 12 GLY A  82
GLY A  84
SER A 155
PHE A 214
HIS A 282
 EPE  A 455 (-3.5A)
EPE  A 455 (-3.3A)
EPE  A 455 (-1.4A)
EPE  A 455 (-4.8A)
EPE  A 455 (-4.0A)
 0.95A 1w6rA-1evqA:
18.0		 1w6rA-1evqA:
23.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1W6R_A_GNTA1536_1
(ACETYLCHOLINESTERASE)		 1jji CARBOXYLESTERASE
(Archaeoglobus
fulgidus) 		6 / 12 GLY A  87
GLY A  88
GLY A  89
SER A 160
PHE A 218
HIS A 285
 EPE  A 455 ( 4.0A)
EPE  A 455 (-3.7A)
EPE  A 455 (-3.4A)
EPE  A 455 (-1.6A)
EPE  A 455 ( 4.9A)
EPE  A 455 (-4.6A)
 1.02A 1w6rA-1jjiA:
18.8		 1w6rA-1jjiA:
21.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1W6R_A_GNTA1536_1
(ACETYLCHOLINESTERASE)		 5w1u CARBOXYLIC ESTER
HYDROLASE
(Culex
quinquefasciatus) 		6 / 12 GLY A 108
GLY A 109
GLY A 110
SER A 191
PHE A 281
HIS A 442
 EPE  A 600 ( 3.9A)
EPE  A 600 (-3.0A)
EPE  A 600 ( 4.4A)
MLI  A 601 ( 3.8A)
MLI  A 601 (-3.7A)
EPE  A 600 ( 4.0A)
 0.84A 1w6rA-5w1uA:
40.9		 1w6rA-5w1uA:
29.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1W76_A_GNTA1538_1
(ACETYLCHOLINESTERASE)		 1evq SERINE HYDROLASE
(Alicyclobacillus
acidocaldarius) 		5 / 11 GLY A  83
GLY A  84
SER A 155
PHE A 214
HIS A 282
 EPE  A 455 (-3.3A)
EPE  A 455 (-3.3A)
EPE  A 455 (-1.4A)
EPE  A 455 (-4.8A)
EPE  A 455 (-4.0A)
 0.91A 1w76A-1evqA:
17.2		 1w76A-1evqA:
23.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1W76_A_GNTA1538_1
(ACETYLCHOLINESTERASE)		 1jji CARBOXYLESTERASE
(Archaeoglobus
fulgidus) 		5 / 11 GLY A  88
GLY A  89
SER A 160
PHE A 218
HIS A 285
 EPE  A 455 (-3.7A)
EPE  A 455 (-3.4A)
EPE  A 455 (-1.6A)
EPE  A 455 ( 4.9A)
EPE  A 455 (-4.6A)
 1.05A 1w76A-1jjiA:
17.5		 1w76A-1jjiA:
21.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1W76_A_GNTA1538_1
(ACETYLCHOLINESTERASE)		 5w1u CARBOXYLIC ESTER
HYDROLASE
(Culex
quinquefasciatus) 		5 / 11 GLY A 109
GLY A 110
SER A 191
PHE A 281
HIS A 442
 EPE  A 600 (-3.0A)
EPE  A 600 ( 4.4A)
MLI  A 601 ( 3.8A)
MLI  A 601 (-3.7A)
EPE  A 600 ( 4.0A)
 0.89A 1w76A-5w1uA:
40.8		 1w76A-5w1uA:
29.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1W76_B_GNTB1538_1
(ACETYLCHOLINESTERASE)		 1jji CARBOXYLESTERASE
(Archaeoglobus
fulgidus) 		5 / 10 GLY A  87
GLY A  88
SER A 160
PHE A 218
HIS A 285
 EPE  A 455 ( 4.0A)
EPE  A 455 (-3.7A)
EPE  A 455 (-1.6A)
EPE  A 455 ( 4.9A)
EPE  A 455 (-4.6A)
 0.98A 1w76B-1jjiA:
3.5		 1w76B-1jjiA:
21.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1W76_B_GNTB1538_1
(ACETYLCHOLINESTERASE)		 5w1u CARBOXYLIC ESTER
HYDROLASE
(Culex
quinquefasciatus) 		5 / 10 GLY A 108
GLY A 109
SER A 191
PHE A 281
HIS A 442
 EPE  A 600 ( 3.9A)
EPE  A 600 (-3.0A)
MLI  A 601 ( 3.8A)
MLI  A 601 (-3.7A)
EPE  A 600 ( 4.0A)
 0.80A 1w76B-5w1uA:
40.9		 1w76B-5w1uA:
29.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1X7P_A_SAMA301_0
(RRNA
METHYLTRANSFERASE)		 5za2 BETA-LACTAMASE
(Escherichia
coli) 		6 / 11 THR A 318
GLY A 320
GLY A 202
ILE A  62
LEU A 338
ALA A 323
 EPE  A 405 (-4.1A)
None
None
None
None
None
 1.42A 1x7pA-5za2A:
undetectable
1x7pB-5za2A:
undetectable		 1x7pA-5za2A:
undetectable
1x7pB-5za2A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1X7P_B_SAMB302_0
(RRNA
METHYLTRANSFERASE)		 5za2 BETA-LACTAMASE
(Escherichia
coli) 		6 / 10 THR A 318
GLY A 320
GLY A 202
ILE A  62
LEU A 338
ALA A 323
 EPE  A 405 (-4.1A)
None
None
None
None
None
 1.48A 1x7pA-5za2A:
undetectable
1x7pB-5za2A:
undetectable		 1x7pA-5za2A:
undetectable
1x7pB-5za2A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1XDK_F_9CRF1600_2
(RETINOIC ACID
RECEPTOR, BETA)		 5ver KYNURENINE--OXOGLUTA
RATE TRANSAMINASE 3
(Mus
musculus) 		3 / 3 LEU A 357
PHE A 447
ARG A 430
 None
None
EPE  A 702 (-3.1A)
 0.70A 1xdkF-5verA:
undetectable		 1xdkF-5verA:
21.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1YA4_B_CTXB2_1
(CES1 PROTEIN)		 1evq SERINE HYDROLASE
(Alicyclobacillus
acidocaldarius) 		5 / 12 GLY A  83
GLY A  84
SER A 155
LEU A 205
HIS A 282
 EPE  A 455 (-3.3A)
EPE  A 455 (-3.3A)
EPE  A 455 (-1.4A)
None
EPE  A 455 (-4.0A)
 0.44A 1ya4B-1evqA:
4.1		 1ya4B-1evqA:
22.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1YA4_C_CTXC3_1
(CES1 PROTEIN)		 1evq SERINE HYDROLASE
(Alicyclobacillus
acidocaldarius) 		5 / 12 GLY A  83
GLY A  84
SER A 155
LEU A 205
HIS A 282
 EPE  A 455 (-3.3A)
EPE  A 455 (-3.3A)
EPE  A 455 (-1.4A)
None
EPE  A 455 (-4.0A)
 0.44A 1ya4C-1evqA:
17.5		 1ya4C-1evqA:
22.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1YAJ_C_BEZC5013_0
(CES1 PROTEIN)		 1evq SERINE HYDROLASE
(Alicyclobacillus
acidocaldarius) 		6 / 8 GLY A  82
GLY A  83
GLY A  84
SER A 155
ALA A 156
HIS A 282
 EPE  A 455 (-3.5A)
EPE  A 455 (-3.3A)
EPE  A 455 (-3.3A)
EPE  A 455 (-1.4A)
EPE  A 455 (-3.8A)
EPE  A 455 (-4.0A)
 0.30A 1yajC-1evqA:
17.3		 1yajC-1evqA:
22.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1YAJ_C_BEZC5013_0
(CES1 PROTEIN)		 1evq SERINE HYDROLASE
(Alicyclobacillus
acidocaldarius) 		5 / 8 GLY A  82
GLY A  83
SER A 155
ALA A 156
HIS A 282
 EPE  A 455 (-3.5A)
EPE  A 455 (-3.3A)
EPE  A 455 (-1.4A)
EPE  A 455 (-3.8A)
EPE  A 455 (-4.0A)
 0.96A 1yajC-1evqA:
17.3		 1yajC-1evqA:
22.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1YAJ_C_BEZC5013_0
(CES1 PROTEIN)		 1evq SERINE HYDROLASE
(Alicyclobacillus
acidocaldarius) 		5 / 8 GLY A  83
GLY A  84
SER A 155
ALA A 156
HIS A 282
 EPE  A 455 (-3.3A)
EPE  A 455 (-3.3A)
EPE  A 455 (-1.4A)
EPE  A 455 (-3.8A)
EPE  A 455 (-4.0A)
 0.84A 1yajC-1evqA:
17.3		 1yajC-1evqA:
22.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1YAJ_C_BEZC5013_0
(CES1 PROTEIN)		 1jji CARBOXYLESTERASE
(Archaeoglobus
fulgidus) 		6 / 8 GLY A  87
GLY A  88
GLY A  89
SER A 160
ALA A 161
HIS A 285
 EPE  A 455 ( 4.0A)
EPE  A 455 (-3.7A)
EPE  A 455 (-3.4A)
EPE  A 455 (-1.6A)
EPE  A 455 (-3.4A)
EPE  A 455 (-4.6A)
 0.46A 1yajC-1jjiA:
18.6		 1yajC-1jjiA:
21.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1YAJ_C_BEZC5013_0
(CES1 PROTEIN)		 1jji CARBOXYLESTERASE
(Archaeoglobus
fulgidus) 		5 / 8 GLY A  87
GLY A  88
GLY A  89
SER A 160
ILE A 209
 EPE  A 455 ( 4.0A)
EPE  A 455 (-3.7A)
EPE  A 455 (-3.4A)
EPE  A 455 (-1.6A)
None
 1.04A 1yajC-1jjiA:
18.6		 1yajC-1jjiA:
21.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1YAJ_C_BEZC5013_0
(CES1 PROTEIN)		 1jji CARBOXYLESTERASE
(Archaeoglobus
fulgidus) 		5 / 8 GLY A  88
GLY A  89
SER A 160
ALA A 161
HIS A 285
 EPE  A 455 (-3.7A)
EPE  A 455 (-3.4A)
EPE  A 455 (-1.6A)
EPE  A 455 (-3.4A)
EPE  A 455 (-4.6A)
 0.93A 1yajC-1jjiA:
18.6		 1yajC-1jjiA:
21.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1YAJ_C_BEZC5013_0
(CES1 PROTEIN)		 1jji CARBOXYLESTERASE
(Archaeoglobus
fulgidus) 		6 / 8 GLY A 162
GLY A  87
GLY A  88
SER A 160
ALA A 161
HIS A 285
 None
EPE  A 455 ( 4.0A)
EPE  A 455 (-3.7A)
EPE  A 455 (-1.6A)
EPE  A 455 (-3.4A)
EPE  A 455 (-4.6A)
 1.24A 1yajC-1jjiA:
18.6		 1yajC-1jjiA:
21.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1YMX_A_CFXA1001_1
(BETA-LACTAMASE
CTX-M-9)		 1n9b BETA-LACTAMASE SHV-2
(Klebsiella
pneumoniae) 		8 / 12 SER A  70
LYS A  73
SER A 130
ASN A 132
GLU A 166
ASN A 170
LYS A 234
GLY A 236
 EPE  A 400 (-3.7A)
None
EPE  A 400 (-2.5A)
None
None
None
EPE  A 400 (-3.1A)
EPE  A 400 (-3.1A)
 0.73A 1ymxA-1n9bA:
35.6		 1ymxA-1n9bA:
40.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1YMX_A_CFXA1001_1
(BETA-LACTAMASE
CTX-M-9)		 3lez BETA-LACTAMASE
(Oceanobacillus
iheyensis) 		9 / 12 SER A  85
LYS A  88
ASN A 145
GLU A 179
ASN A 183
THR A 229
LYS A 247
GLY A 249
GLY A 251
 EPE  A 305 (-3.4A)
None
None
None
None
EPE  A 305 ( 3.9A)
EPE  A 305 (-3.1A)
EPE  A 305 (-3.4A)
None
 0.48A 1ymxA-3lezA:
41.6		 1ymxA-3lezA:
43.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1YMX_A_CFXA1001_1
(BETA-LACTAMASE
CTX-M-9)		 3lez BETA-LACTAMASE
(Oceanobacillus
iheyensis) 		8 / 12 SER A  85
LYS A  88
SER A 143
ASN A 145
GLU A 179
LYS A 247
GLY A 249
GLY A 251
 EPE  A 305 (-3.4A)
None
EPE  A 305 (-2.5A)
None
None
EPE  A 305 (-3.1A)
EPE  A 305 (-3.4A)
None
 0.63A 1ymxA-3lezA:
41.6		 1ymxA-3lezA:
43.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1YMX_B_CFXB1002_1
(BETA-LACTAMASE
CTX-M-9)		 1n9b BETA-LACTAMASE SHV-2
(Klebsiella
pneumoniae) 		8 / 12 SER A  70
LYS A  73
SER A 130
ASN A 132
GLU A 166
ASN A 170
LYS A 234
GLY A 236
 EPE  A 400 (-3.7A)
None
EPE  A 400 (-2.5A)
None
None
None
EPE  A 400 (-3.1A)
EPE  A 400 (-3.1A)
 0.70A 1ymxB-1n9bA:
35.7		 1ymxB-1n9bA:
40.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1YMX_B_CFXB1002_1
(BETA-LACTAMASE
CTX-M-9)		 3lez BETA-LACTAMASE
(Oceanobacillus
iheyensis) 		8 / 12 SER A  85
LYS A  88
ASN A 145
GLU A 179
ASN A 183
LYS A 247
GLY A 249
GLY A 251
 EPE  A 305 (-3.4A)
None
None
None
None
EPE  A 305 (-3.1A)
EPE  A 305 (-3.4A)
None
 0.46A 1ymxB-3lezA:
41.6		 1ymxB-3lezA:
43.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1YMX_B_CFXB1002_1
(BETA-LACTAMASE
CTX-M-9)		 3lez BETA-LACTAMASE
(Oceanobacillus
iheyensis) 		8 / 12 SER A  85
SER A 143
ASN A 145
GLU A 179
ASN A 183
LYS A 247
GLY A 249
GLY A 251
 EPE  A 305 (-3.4A)
EPE  A 305 (-2.5A)
None
None
None
EPE  A 305 (-3.1A)
EPE  A 305 (-3.4A)
None
 0.62A 1ymxB-3lezA:
41.6		 1ymxB-3lezA:
43.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1YVP_B_ACTB2002_0
(60-KDA SS-A/RO
RIBONUCLEOPROTEIN)		 5bnc HEME BINDING PROTEIN
MSMEG_6519
(Mycolicibacteriu
m
smegmatis) 		4 / 6 ALA A  57
SER A  58
THR A  48
ASN A  82
 None
EPE  A 302 ( 4.8A)
None
None
 1.13A 1yvpB-5bncA:
undetectable		 1yvpB-5bncA:
18.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2A3A_A_TEPA1435_1
(CHITINASE)		 1o4z BETA-AGARASE B
(Zobellia
galactanivorans) 		3 / 3 TRP A 233
GLU A 189
TYR A 191
 None
EPE  A2002 (-3.0A)
None
 1.23A 2a3aA-1o4zA:
undetectable		 2a3aA-1o4zA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2A3C_A_PNXA1435_1
(CHITINASE)		 5j44 SERINE PROTEASE SEPA
AUTOTRANSPORTER
(Shigella
flexneri) 		4 / 6 TYR A 726
GLY A 763
PHE A 739
SER A 762
 None
EPE  A1101 ( 4.7A)
None
None
 1.33A 2a3cA-5j44A:
undetectable		 2a3cA-5j44A:
19.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2A3C_B_PNXB2434_1
(CHITINASE)		 5j44 SERINE PROTEASE SEPA
AUTOTRANSPORTER
(Shigella
flexneri) 		4 / 6 TYR A 726
GLY A 763
PHE A 739
SER A 762
 None
EPE  A1101 ( 4.7A)
None
None
 1.38A 2a3cB-5j44A:
undetectable		 2a3cB-5j44A:
19.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2A8T_B_ADNB252_1
(U8 SNORNA-BINDING
PROTEIN X29)		 3wcx SPHINGOMYELINASE C
(Streptomyces
griseocarneus) 		4 / 8 GLY A 172
ILE A 158
ASN A 160
GLN A 214
 None
EPE  A 401 (-4.9A)
None
None
 1.02A 2a8tB-3wcxA:
undetectable		 2a8tB-3wcxA:
19.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ABA_A_STRA1500_1
(PENTAERYTHRITOL
TETRANITRATE
REDUCTASE)		 4rnw NADPH DEHYDROGENASE
1
(Saccharomyces
pastorianus) 		5 / 9 THR A 136
TYR A 181
HIS A 290
TYR A 295
TYR A  75
 FMN  A 401 (-3.7A)
EPE  A 402 ( 3.8A)
FMN  A 401 ( 3.5A)
EPE  A 402 (-4.4A)
EPE  A 402 ( 3.7A)
 0.75A 2abaA-4rnwA:
31.8		 2abaA-4rnwA:
28.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ACE_A_ACHA998_0
(ACETYLCHOLINESTERASE)		 1evq SERINE HYDROLASE
(Alicyclobacillus
acidocaldarius) 		5 / 9 GLY A  82
GLY A  83
SER A 155
ALA A 156
HIS A 282
 EPE  A 455 (-3.5A)
EPE  A 455 (-3.3A)
EPE  A 455 (-1.4A)
EPE  A 455 (-3.8A)
EPE  A 455 (-4.0A)
 0.92A 2aceA-1evqA:
4.1		 2aceA-1evqA:
23.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ACE_A_ACHA998_0
(ACETYLCHOLINESTERASE)		 1evq SERINE HYDROLASE
(Alicyclobacillus
acidocaldarius) 		6 / 9 GLY A  83
GLY A  84
SER A 155
ALA A 156
PHE A 214
HIS A 282
 EPE  A 455 (-3.3A)
EPE  A 455 (-3.3A)
EPE  A 455 (-1.4A)
EPE  A 455 (-3.8A)
EPE  A 455 (-4.8A)
EPE  A 455 (-4.0A)
 0.82A 2aceA-1evqA:
4.1		 2aceA-1evqA:
23.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ACE_A_ACHA998_0
(ACETYLCHOLINESTERASE)		 1jji CARBOXYLESTERASE
(Archaeoglobus
fulgidus) 		6 / 9 GLY A  88
GLY A  89
SER A 160
ALA A 161
PHE A 218
HIS A 285
 EPE  A 455 (-3.7A)
EPE  A 455 (-3.4A)
EPE  A 455 (-1.6A)
EPE  A 455 (-3.4A)
EPE  A 455 ( 4.9A)
EPE  A 455 (-4.6A)
 0.99A 2aceA-1jjiA:
4.1		 2aceA-1jjiA:
21.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ACE_A_ACHA998_0
(ACETYLCHOLINESTERASE)		 5w1u CARBOXYLIC ESTER
HYDROLASE
(Culex
quinquefasciatus) 		5 / 9 GLY A 108
GLY A 109
SER A 191
ALA A 192
HIS A 442
 EPE  A 600 ( 3.9A)
EPE  A 600 (-3.0A)
MLI  A 601 ( 3.8A)
None
EPE  A 600 ( 4.0A)
 0.84A 2aceA-5w1uA:
40.9		 2aceA-5w1uA:
30.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ACE_A_ACHA998_0
(ACETYLCHOLINESTERASE)		 5w1u CARBOXYLIC ESTER
HYDROLASE
(Culex
quinquefasciatus) 		6 / 9 GLY A 109
GLY A 110
SER A 191
ALA A 192
TRP A 224
HIS A 442
 EPE  A 600 (-3.0A)
EPE  A 600 ( 4.4A)
MLI  A 601 ( 3.8A)
None
MLI  A 601 (-3.4A)
EPE  A 600 ( 4.0A)
 0.46A 2aceA-5w1uA:
40.9		 2aceA-5w1uA:
30.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ACE_A_ACHA998_0
(ACETYLCHOLINESTERASE)		 5w1u CARBOXYLIC ESTER
HYDROLASE
(Culex
quinquefasciatus) 		5 / 9 GLY A 110
SER A 191
ALA A 192
TRP A 224
PHE A 281
 EPE  A 600 ( 4.4A)
MLI  A 601 ( 3.8A)
None
MLI  A 601 (-3.4A)
MLI  A 601 (-3.7A)
 0.87A 2aceA-5w1uA:
40.9		 2aceA-5w1uA:
30.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2AOU_B_CQAB401_0
(HISTAMINE
N-METHYLTRANSFERASE)		 3mam OSMOPROTECTION
PROTEIN (PROX)
(Archaeoglobus
fulgidus) 		4 / 7 GLY A 106
PHE A 107
ASP A 244
THR A 192
 None
None
None
EPE  A 278 (-4.5A)
 1.12A 2aouB-3mamA:
undetectable		 2aouB-3mamA:
22.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2AOU_B_CQAB401_0
(HISTAMINE
N-METHYLTRANSFERASE)		 4uyp CELLULOSOMAL
SCAFFOLDIN ADAPTOR
PROTEIN B
(Acetivibrio
cellulolyticus) 		4 / 7 GLY B  37
PHE B  32
PRO B  33
ASP B   8
 EPE  B1076 ( 4.6A)
None
None
CA  B 201 (-2.9A)
 1.08A 2aouB-4uypB:
undetectable		 2aouB-4uypB:
12.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DCF_A_ACAA501_1
(6-AMINOHEXANOATE-DIM
ER HYDROLASE)		 4re2 BETA-MANNOSIDASE/BET
A-GLUCOSIDASE
(Oryza
sativa) 		4 / 6 ALA A 357
TYR A 412
TRP A 361
ILE A 364
 None
None
EPE  A 503 ( 3.5A)
None
 1.22A 2dcfA-4re2A:
undetectable		 2dcfA-4re2A:
22.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DYR_C_CHDC525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3ec7 PUTATIVE
DEHYDROGENASE
(Salmonella
enterica) 		4 / 7 HIS A 176
ASP A 277
TYR A 129
HIS A 155
 EPE  A 401 (-4.0A)
None
None
EPE  A 401 (-4.4A)
 1.13A 2dyrA-3ec7A:
undetectable
2dyrC-3ec7A:
undetectable		 2dyrA-3ec7A:
20.73
2dyrC-3ec7A:
19.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DYR_P_CHDP1525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3ec7 PUTATIVE
DEHYDROGENASE
(Salmonella
enterica) 		4 / 7 HIS A 176
ASP A 277
TYR A 129
HIS A 155
 EPE  A 401 (-4.0A)
None
None
EPE  A 401 (-4.4A)
 1.13A 2dyrN-3ec7A:
undetectable
2dyrP-3ec7A:
undetectable		 2dyrN-3ec7A:
20.73
2dyrP-3ec7A:
19.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DYS_C_CHDC304_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3ec7 PUTATIVE
DEHYDROGENASE
(Salmonella
enterica) 		4 / 6 HIS A 176
ASP A 277
TYR A 129
HIS A 155
 EPE  A 401 (-4.0A)
None
None
EPE  A 401 (-4.4A)
 1.16A 2dysA-3ec7A:
undetectable
2dysC-3ec7A:
undetectable		 2dysA-3ec7A:
20.73
2dysC-3ec7A:
19.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DYS_P_CHDP304_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3ec7 PUTATIVE
DEHYDROGENASE
(Salmonella
enterica) 		4 / 6 HIS A 176
ASP A 277
TYR A 129
HIS A 155
 EPE  A 401 (-4.0A)
None
None
EPE  A 401 (-4.4A)
 1.15A 2dysN-3ec7A:
undetectable
2dysP-3ec7A:
undetectable		 2dysN-3ec7A:
20.73
2dysP-3ec7A:
19.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EIJ_C_CHDC525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3ec7 PUTATIVE
DEHYDROGENASE
(Salmonella
enterica) 		4 / 7 HIS A 176
ASP A 277
TYR A 129
HIS A 155
 EPE  A 401 (-4.0A)
None
None
EPE  A 401 (-4.4A)
 1.15A 2eijA-3ec7A:
undetectable
2eijC-3ec7A:
undetectable		 2eijA-3ec7A:
20.73
2eijC-3ec7A:
19.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EIJ_P_CHDP1525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3ec7 PUTATIVE
DEHYDROGENASE
(Salmonella
enterica) 		4 / 7 HIS A 176
ASP A 277
TYR A 129
HIS A 155
 EPE  A 401 (-4.0A)
None
None
EPE  A 401 (-4.4A)
 1.10A 2eijN-3ec7A:
undetectable
2eijP-3ec7A:
undetectable		 2eijN-3ec7A:
20.73
2eijP-3ec7A:
19.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EIK_C_CHDC525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3ec7 PUTATIVE
DEHYDROGENASE
(Salmonella
enterica) 		4 / 7 HIS A 176
ASP A 277
TYR A 129
HIS A 155
 EPE  A 401 (-4.0A)
None
None
EPE  A 401 (-4.4A)
 1.14A 2eikA-3ec7A:
undetectable
2eikC-3ec7A:
undetectable		 2eikA-3ec7A:
20.73
2eikC-3ec7A:
19.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EIK_P_CHDP1525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3ec7 PUTATIVE
DEHYDROGENASE
(Salmonella
enterica) 		4 / 7 HIS A 176
ASP A 277
TYR A 129
HIS A 155
 EPE  A 401 (-4.0A)
None
None
EPE  A 401 (-4.4A)
 1.11A 2eikN-3ec7A:
undetectable
2eikP-3ec7A:
undetectable		 2eikN-3ec7A:
20.73
2eikP-3ec7A:
19.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EIL_C_CHDC525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3ec7 PUTATIVE
DEHYDROGENASE
(Salmonella
enterica) 		4 / 7 HIS A 176
ASP A 277
TYR A 129
HIS A 155
 EPE  A 401 (-4.0A)
None
None
EPE  A 401 (-4.4A)
 1.13A 2eilA-3ec7A:
undetectable
2eilC-3ec7A:
undetectable		 2eilA-3ec7A:
20.73
2eilC-3ec7A:
19.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EIL_P_CHDP1525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3ec7 PUTATIVE
DEHYDROGENASE
(Salmonella
enterica) 		4 / 7 HIS A 176
ASP A 277
TYR A 129
HIS A 155
 EPE  A 401 (-4.0A)
None
None
EPE  A 401 (-4.4A)
 1.10A 2eilN-3ec7A:
undetectable
2eilP-3ec7A:
undetectable		 2eilN-3ec7A:
20.73
2eilP-3ec7A:
19.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EIM_A_CHDA525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3ec7 PUTATIVE
DEHYDROGENASE
(Salmonella
enterica) 		4 / 6 HIS A 176
ASP A 277
TYR A 129
HIS A 155
 EPE  A 401 (-4.0A)
None
None
EPE  A 401 (-4.4A)
 1.18A 2eimA-3ec7A:
undetectable
2eimC-3ec7A:
undetectable		 2eimA-3ec7A:
20.73
2eimC-3ec7A:
19.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EIM_P_CHDP1525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3ec7 PUTATIVE
DEHYDROGENASE
(Salmonella
enterica) 		4 / 6 HIS A 176
ASP A 277
TYR A 129
HIS A 155
 EPE  A 401 (-4.0A)
None
None
EPE  A 401 (-4.4A)
 1.06A 2eimN-3ec7A:
undetectable
2eimP-3ec7A:
undetectable		 2eimN-3ec7A:
20.73
2eimP-3ec7A:
19.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EIN_C_CHDC525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3ec7 PUTATIVE
DEHYDROGENASE
(Salmonella
enterica) 		4 / 6 HIS A 176
ASP A 277
TYR A 129
HIS A 155
 EPE  A 401 (-4.0A)
None
None
EPE  A 401 (-4.4A)
 1.15A 2einA-3ec7A:
undetectable
2einC-3ec7A:
undetectable		 2einA-3ec7A:
20.73
2einC-3ec7A:
19.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EJF_B_ADNB2002_1
(235AA LONG
HYPOTHETICAL
BIOTIN--[ACETYL-COA-
CARBOXYLASE] LIGASE)		 4lw8 PUTATIVE EPIMERASE
(Burkholderia
cenocepacia) 		4 / 6 ARG A 290
GLU A 237
PRO A 234
ALA A 232
 None
EPE  A 400 (-2.9A)
None
None
 1.37A 2ejfB-4lw8A:
undetectable		 2ejfB-4lw8A:
20.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EJG_A_ADNA1501_1
(235AA LONG
HYPOTHETICAL
BIOTIN--[ACETYL-COA-
CARBOXYLASE] LIGASE)		 3vwo PEPTIDOGLYCAN
HYDROLASE FLGJ
(Sphingomonas
sp.
A1) 		4 / 7 ARG A 233
GLU A 219
LYS A 208
ALA A 209
 None
None
EPE  A 401 ( 4.3A)
None
 1.10A 2ejgA-3vwoA:
undetectable		 2ejgA-3vwoA:
20.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EJG_A_ADNA1501_1
(235AA LONG
HYPOTHETICAL
BIOTIN--[ACETYL-COA-
CARBOXYLASE] LIGASE)		 4lw8 PUTATIVE EPIMERASE
(Burkholderia
cenocepacia) 		4 / 7 ARG A 290
GLU A 237
PRO A 234
ALA A 232
 None
EPE  A 400 (-2.9A)
None
None
 1.28A 2ejgA-4lw8A:
undetectable		 2ejgA-4lw8A:
20.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2F80_B_017B301_1
(POL POLYPROTEIN)		 2ynm LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE
IRON-SULFUR
ATP-BINDING PROTEIN
LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT N
(Prochlorococcus
marinus) 		5 / 12 LEU A  87
ALA C  71
GLY A 126
VAL A  83
ILE A  84
 None
None
SF4  A1302 (-3.9A)
None
EPE  A1298 (-4.9A)
 0.95A 2f80A-2ynmA:
undetectable		 2f80A-2ynmA:
17.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2F80_B_017B301_2
(POL POLYPROTEIN)		 2ynm LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE
IRON-SULFUR
ATP-BINDING PROTEIN
LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT N
(Prochlorococcus
marinus) 		5 / 12 LEU A  87
ALA C  71
GLY A 126
VAL A  83
ILE A  84
 None
None
SF4  A1302 (-3.9A)
None
EPE  A1298 (-4.9A)
 0.92A 2f80B-2ynmA:
undetectable		 2f80B-2ynmA:
17.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2F81_A_017A302_2
(POL POLYPROTEIN)		 2ynm LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE
IRON-SULFUR
ATP-BINDING PROTEIN
LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT N
(Prochlorococcus
marinus) 		5 / 12 LEU A  87
ALA C  71
GLY A 126
VAL A  83
ILE A  84
 None
None
SF4  A1302 (-3.9A)
None
EPE  A1298 (-4.9A)
 0.99A 2f81B-2ynmA:
undetectable		 2f81B-2ynmA:
17.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2F8G_B_017B401_1
(POL POLYPROTEIN)		 2ynm LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE
IRON-SULFUR
ATP-BINDING PROTEIN
LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT N
(Prochlorococcus
marinus) 		5 / 12 LEU A  87
ALA C  71
GLY A 126
VAL A  83
ILE A  84
 None
None
SF4  A1302 (-3.9A)
None
EPE  A1298 (-4.9A)
 1.02A 2f8gA-2ynmA:
undetectable		 2f8gA-2ynmA:
18.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2G72_A_SAMA2001_1
(PHENYLETHANOLAMINE
N-METHYLTRANSFERASE)		 3i4g SUSD-LIKE
CARBOHYDRATE BINDING
PROTEIN BF1063
(Bacteroides
fragilis) 		4 / 6 TYR A  68
GLY A  57
TYR A  60
ASP A  56
 None
None
EPE  A   1 (-4.6A)
None
 1.27A 2g72A-3i4gA:
undetectable		 2g72A-3i4gA:
19.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2GL0_D_ADND904_1
(CONSERVED
HYPOTHETICAL PROTEIN)		 3w5f BETA-GALACTOSIDASE
(Solanum
lycopersicum) 		5 / 12 SER A 540
ASN A 556
ALA A 496
VAL A 128
TYR A 132
 None
EPE  A 805 (-3.4A)
EPE  A 805 ( 4.4A)
None
None
 1.42A 2gl0D-3w5fA:
undetectable
2gl0E-3w5fA:
undetectable		 2gl0D-3w5fA:
13.01
2gl0E-3w5fA:
13.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2HA4_A_ACTA544_0
(ACETYLCHOLINESTERASE)		 1evq SERINE HYDROLASE
(Alicyclobacillus
acidocaldarius) 		5 / 8 GLY A  83
GLY A  84
ALA A 156
PHE A 214
HIS A 282
 EPE  A 455 (-3.3A)
EPE  A 455 (-3.3A)
EPE  A 455 (-3.8A)
EPE  A 455 (-4.8A)
EPE  A 455 (-4.0A)
 0.89A 2ha4A-1evqA:
17.9		 2ha4A-1evqA:
23.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2HA4_A_ACTA544_0
(ACETYLCHOLINESTERASE)		 1jji CARBOXYLESTERASE
(Archaeoglobus
fulgidus) 		5 / 8 GLY A  88
GLY A  89
ALA A 161
PHE A 218
HIS A 285
 EPE  A 455 (-3.7A)
EPE  A 455 (-3.4A)
EPE  A 455 (-3.4A)
EPE  A 455 ( 4.9A)
EPE  A 455 (-4.6A)
 1.02A 2ha4A-1jjiA:
18.5		 2ha4A-1jjiA:
20.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2HA4_B_ACTB601_0
(ACETYLCHOLINESTERASE)		 1evq SERINE HYDROLASE
(Alicyclobacillus
acidocaldarius) 		5 / 7 GLY A  83
GLY A  84
ALA A 156
PHE A 214
HIS A 282
 EPE  A 455 (-3.3A)
EPE  A 455 (-3.3A)
EPE  A 455 (-3.8A)
EPE  A 455 (-4.8A)
EPE  A 455 (-4.0A)
 0.90A 2ha4B-1evqA:
18.3		 2ha4B-1evqA:
23.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2HA4_B_ACTB601_0
(ACETYLCHOLINESTERASE)		 1jji CARBOXYLESTERASE
(Archaeoglobus
fulgidus) 		5 / 7 GLY A  88
GLY A  89
ALA A 161
PHE A 218
HIS A 285
 EPE  A 455 (-3.7A)
EPE  A 455 (-3.4A)
EPE  A 455 (-3.4A)
EPE  A 455 ( 4.9A)
EPE  A 455 (-4.6A)
 1.03A 2ha4B-1jjiA:
18.9		 2ha4B-1jjiA:
20.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2HA4_B_ACTB601_0
(ACETYLCHOLINESTERASE)		 5w1u CARBOXYLIC ESTER
HYDROLASE
(Culex
quinquefasciatus) 		5 / 7 GLY A 109
GLY A 110
ALA A 192
TRP A 224
HIS A 442
 EPE  A 600 (-3.0A)
EPE  A 600 ( 4.4A)
None
MLI  A 601 (-3.4A)
EPE  A 600 ( 4.0A)
 0.27A 2ha4B-5w1uA:
40.5		 2ha4B-5w1uA:
31.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2HS2_A_017A201_2
(PROTEASE)		 2ynm LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE
IRON-SULFUR
ATP-BINDING PROTEIN
LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT N
(Prochlorococcus
marinus) 		5 / 12 LEU A  87
ALA C  71
GLY A 126
VAL A  83
ILE A  84
 None
None
SF4  A1302 (-3.9A)
None
EPE  A1298 (-4.9A)
 0.97A 2hs2B-2ynmA:
undetectable		 2hs2B-2ynmA:
18.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2HZQ_A_STRA300_1
(APOLIPOPROTEIN D)		 4y0e PUTATIVE DIOXYGENASE
(Mycobacteroides
abscessus) 		4 / 7 THR A  85
ALA A 100
PHE A 213
LEU A  96
 None
EPE  A 403 (-3.6A)
EPE  A 403 (-4.8A)
None
 1.02A 2hzqA-4y0eA:
undetectable		 2hzqA-4y0eA:
18.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2IEN_B_017B402_2
(PROTEASE)		 2ynm LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE
IRON-SULFUR
ATP-BINDING PROTEIN
LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT N
(Prochlorococcus
marinus) 		5 / 12 LEU A  87
ALA C  71
GLY A 126
VAL A  83
ILE A  84
 None
None
SF4  A1302 (-3.9A)
None
EPE  A1298 (-4.9A)
 0.96A 2ienB-2ynmA:
undetectable		 2ienB-2ynmA:
18.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2J2P_A_SC2A1290_1
(FICOLIN-2)		 5l9w ACETOPHENONE
CARBOXYLASE DELTA
SUBUNIT
ACETOPHENONE
CARBOXYLASE GAMMA
SUBUNIT
(Aromatoleum
aromaticum) 		4 / 5 SER A 409
LEU B 569
GLY B 571
ARG B 517
 EPE  A 704 (-3.7A)
None
EPE  A 704 ( 4.9A)
None
 1.11A 2j2pA-5l9wA:
undetectable
2j2pB-5l9wA:
undetectable		 2j2pA-5l9wA:
14.72
2j2pB-5l9wA:
14.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2O4L_A_TPVA403_1
(PROTEASE)		 2ynm LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE
IRON-SULFUR
ATP-BINDING PROTEIN
LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT N
(Prochlorococcus
marinus) 		5 / 12 LEU A  87
ALA C  71
GLY A 126
VAL A  83
ILE A  84
 None
None
SF4  A1302 (-3.9A)
None
EPE  A1298 (-4.9A)
 1.00A 2o4lA-2ynmA:
undetectable		 2o4lA-2ynmA:
18.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2O4P_A_TPVA300_2
(PROTEASE)		 2ynm LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE
IRON-SULFUR
ATP-BINDING PROTEIN
LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT N
(Prochlorococcus
marinus) 		5 / 9 LEU A  87
ALA C  71
GLY A 125
VAL A  83
ILE A  84
 None
None
SF4  A1302 (-4.1A)
None
EPE  A1298 (-4.9A)
 0.90A 2o4pB-2ynmA:
undetectable		 2o4pB-2ynmA:
18.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2O4P_A_TPVA300_2
(PROTEASE)		 2ynm LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE
IRON-SULFUR
ATP-BINDING PROTEIN
LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT N
(Prochlorococcus
marinus) 		5 / 9 LEU A  87
ALA C  71
GLY A 126
VAL A  83
ILE A  84
 None
None
SF4  A1302 (-3.9A)
None
EPE  A1298 (-4.9A)
 0.94A 2o4pB-2ynmA:
undetectable		 2o4pB-2ynmA:
18.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2OKC_A_SAMA500_1
(TYPE I RESTRICTION
ENZYME STYSJI M
PROTEIN)		 3x0v L-LYSINE OXIDASE
(Trichoderma
viride) 		4 / 6 THR A 349
THR A 370
ASN A 200
ASP A 203
 EPE  A 602 ( 4.0A)
None
None
None
 1.17A 2okcA-3x0vA:
undetectable		 2okcA-3x0vA:
22.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2OXT_B_SAMB300_1
(NUCLEOSIDE-2'-O-METH
YLTRANSFERASE)		 5bnc HEME BINDING PROTEIN
MSMEG_6519
(Mycolicibacteriu
m
smegmatis) 		4 / 5 GLY A  53
HIS A  79
ASP A  75
ASP A  86
 None
EPE  A 302 (-4.4A)
None
None
 0.95A 2oxtB-5bncA:
undetectable		 2oxtB-5bncA:
21.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2PIV_A_T3A933_1
(ANDROGEN RECEPTOR)		 3mx3 SUSD HOMOLOG
(Bacteroides
fragilis) 		5 / 9 PRO A 148
GLY A 131
GLU A 129
TYR A 472
GLU A 476
 None
None
EPE  A 602 (-3.0A)
None
None
 1.37A 2pivA-3mx3A:
undetectable		 2pivA-3mx3A:
17.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2PRG_B_BRLB2_1
(PEROXISOME
PROLIFERATOR
ACTIVATED RECEPTOR
GAMMA)		 3etc AMP-BINDING PROTEIN
(Methanosarcina
acetivorans) 		5 / 12 CYH A 257
HIS A 230
VAL A 274
LEU A 206
TYR A 226
 None
None
EPE  A 996 (-3.8A)
None
None
 1.25A 2prgB-3etcA:
undetectable		 2prgB-3etcA:
20.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2PYM_A_1UNA1001_1
(PROTEASE RETROPEPSIN)		 2ynm LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE
IRON-SULFUR
ATP-BINDING PROTEIN
LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT N
(Prochlorococcus
marinus) 		5 / 12 LEU A  87
ALA C  71
GLY A 126
VAL A  83
ILE A  84
 None
None
SF4  A1302 (-3.9A)
None
EPE  A1298 (-4.9A)
 0.93A 2pymA-2ynmA:
undetectable		 2pymA-2ynmA:
17.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2PYM_A_1UNA1001_2
(PROTEASE RETROPEPSIN)		 2ynm LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE
IRON-SULFUR
ATP-BINDING PROTEIN
LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT N
(Prochlorococcus
marinus) 		5 / 12 LEU A  87
ALA C  71
GLY A 126
VAL A  83
ILE A  84
 None
None
SF4  A1302 (-3.9A)
None
EPE  A1298 (-4.9A)
 0.94A 2pymB-2ynmA:
undetectable		 2pymB-2ynmA:
17.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2PYN_A_1UNA1001_1
(PROTEASE RETROPEPSIN)		 2ynm LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE
IRON-SULFUR
ATP-BINDING PROTEIN
LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT N
(Prochlorococcus
marinus) 		5 / 12 LEU A  87
ALA C  71
GLY A 126
VAL A  83
ILE A  84
 None
None
SF4  A1302 (-3.9A)
None
EPE  A1298 (-4.9A)
 0.98A 2pynA-2ynmA:
undetectable		 2pynA-2ynmA:
16.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2PYN_A_1UNA1001_2
(PROTEASE RETROPEPSIN)		 2ynm LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE
IRON-SULFUR
ATP-BINDING PROTEIN
LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT N
(Prochlorococcus
marinus) 		5 / 12 LEU A  87
ALA C  71
GLY A 126
VAL A  83
ILE A  84
 None
None
SF4  A1302 (-3.9A)
None
EPE  A1298 (-4.9A)
 0.98A 2pynB-2ynmA:
undetectable		 2pynB-2ynmA:
16.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2V3D_A_NBVA1503_1
(GLUCOSYLCERAMIDASE)		 1tvp CELLULASE
(Pseudoalteromona
s
haloplanktis) 		5 / 12 ASN A 134
GLU A 135
HIS A 194
GLU A 222
TRP A 256
 None
EPE  A 700 (-3.4A)
None
EPE  A 700 (-3.5A)
EPE  A 700 (-3.7A)
 0.49A 2v3dA-1tvpA:
17.1		 2v3dA-1tvpA:
19.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2V3D_A_NBVA1503_1
(GLUCOSYLCERAMIDASE)		 4xzw ENDO-GLUCANASE
CHIMERA C10
(Geobacillus
sp.
70PC53;
uncultured
bacterium) 		5 / 12 ASN A 141
GLU A 142
HIS A 202
GLU A 230
TRP A 264
 None
EPE  A 404 (-3.3A)
None
EPE  A 404 (-4.3A)
EPE  A 404 ( 4.1A)
 0.54A 2v3dA-4xzwA:
17.0		 2v3dA-4xzwA:
20.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2V7U_B_SAMB1299_1
(5'-FLUORO-5'-DEOXY
ADENOSINE SYNTHETASE)		 2ynm LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT B
(Prochlorococcus
marinus) 		4 / 7 ASP D 417
PHE D 179
SER D 403
ARG D 401
 EPE  D1529 (-3.0A)
None
EPE  D1529 (-3.0A)
None
 1.37A 2v7uB-2ynmD:
undetectable		 2v7uB-2ynmD:
20.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XF3_B_J01B500_1
(ORF12)		 3s4o PROTEIN TYROSINE
PHOSPHATASE-LIKE
PROTEIN
(Leishmania
major) 		5 / 9 VAL A  60
ILE A  36
LEU A  22
ARG A  42
GLY A  43
 None
None
None
None
EPE  A 164 (-3.5A)
 1.37A 2xf3B-3s4oA:
undetectable		 2xf3B-3s4oA:
16.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XFS_A_J01A500_1
(ORF12)		 3r7a PHOSPHOGLYCERATE
MUTASE, PUTATIVE
(Bacillus
anthracis) 		4 / 8 TRP A 109
LEU A 135
GLY A 113
ALA A 116
 EPE  A 301 (-3.9A)
None
None
None
 0.93A 2xfsA-3r7aA:
undetectable		 2xfsA-3r7aA:
21.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XH9_A_J01A1436_1
(ORF12)		 3r7a PHOSPHOGLYCERATE
MUTASE, PUTATIVE
(Bacillus
anthracis) 		4 / 8 TRP A 109
LEU A 135
GLY A 113
ALA A 116
 EPE  A 301 (-3.9A)
None
None
None
 0.93A 2xh9A-3r7aA:
undetectable		 2xh9A-3r7aA:
21.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XH9_B_J01B1436_1
(ORF12)		 3s4o PROTEIN TYROSINE
PHOSPHATASE-LIKE
PROTEIN
(Leishmania
major) 		5 / 9 VAL A  60
ILE A  36
LEU A  22
ARG A  42
GLY A  43
 None
None
None
None
EPE  A 164 (-3.5A)
 1.37A 2xh9B-3s4oA:
undetectable		 2xh9B-3s4oA:
16.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XXG_A_CUA1338_0
(DISSIMILATORY
COPPER-CONTAINING
NITRITE REDUCTASE)		 3jyf 2',3'-CYCLIC
NUCLEOTIDE
2'-PHOSPHODIESTERASE
/3'-NUCLEOTIDASE
BIFUNCTIONAL
PERIPLASMIC PROTEIN
(Klebsiella
pneumoniae) 		3 / 3 ASP A  61
HIS A 102
HIS A  18
 MN  A 342 (-2.9A)
EPE  A 341 ( 3.6A)
MN  A 340 (-3.5A)
 0.69A 2xxgA-3jyfA:
undetectable		 2xxgA-3jyfA:
24.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XXG_C_CUC1339_0
(DISSIMILATORY
COPPER-CONTAINING
NITRITE REDUCTASE)		 3jyf 2',3'-CYCLIC
NUCLEOTIDE
2'-PHOSPHODIESTERASE
/3'-NUCLEOTIDASE
BIFUNCTIONAL
PERIPLASMIC PROTEIN
(Klebsiella
pneumoniae) 		3 / 3 ASP A  61
HIS A 102
HIS A  18
 MN  A 342 (-2.9A)
EPE  A 341 ( 3.6A)
MN  A 340 (-3.5A)
 0.69A 2xxgC-3jyfA:
undetectable		 2xxgC-3jyfA:
24.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XZ5_D_ACHD1211_0
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		 3wiw GLYCOSYL HYDROLASE
FAMILY 88
(Pedobacter
heparinus) 		4 / 8 GLN A 236
GLN A 248
ASP A 293
SER A 242
 EPE  A 501 ( 4.3A)
None
None
None
 1.22A 2xz5C-3wiwA:
undetectable
2xz5D-3wiwA:
undetectable		 2xz5C-3wiwA:
19.63
2xz5D-3wiwA:
19.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Y69_A_CHDA1517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3ec7 PUTATIVE
DEHYDROGENASE
(Salmonella
enterica) 		4 / 7 HIS A 176
ASP A 277
TYR A 129
HIS A 155
 EPE  A 401 (-4.0A)
None
None
EPE  A 401 (-4.4A)
 1.11A 2y69A-3ec7A:
undetectable
2y69C-3ec7A:
undetectable		 2y69A-3ec7A:
20.73
2y69C-3ec7A:
19.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Y69_N_CHDN1517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3ec7 PUTATIVE
DEHYDROGENASE
(Salmonella
enterica) 		4 / 8 HIS A 176
ASP A 277
TYR A 129
HIS A 155
 EPE  A 401 (-4.0A)
None
None
EPE  A 401 (-4.4A)
 1.15A 2y69C-3ec7A:
undetectable
2y69N-3ec7A:
undetectable
2y69P-3ec7A:
undetectable		 2y69C-3ec7A:
19.29
2y69N-3ec7A:
20.73
2y69P-3ec7A:
19.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Y69_P_CHDP1265_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 4d7q RALF,
PROLINE/BETAINE
TRANSPORTER
(Legionella
pneumophila;
Rickettsia
prowazekii) 		4 / 5 PHE A 286
PHE A 196
LEU A 194
PHE A 192
 None
EPE  A1347 (-3.5A)
None
None
 1.25A 2y69P-4d7qA:
undetectable
2y69W-4d7qA:
undetectable		 2y69P-4d7qA:
19.79
2y69W-4d7qA:
11.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Y7H_C_SAMC530_1
(TYPE I RESTRICTION
ENZYME ECOKI M
PROTEIN)		 2dou PROBABLE
N-SUCCINYLDIAMINOPIM
ELATE
AMINOTRANSFERASE
(Thermus
thermophilus) 		3 / 3 TYR A  80
GLU A 224
ASN A 165
 None
None
EPE  A 501 ( 4.2A)
 1.02A 2y7hC-2douA:
2.4		 2y7hC-2douA:
21.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Y7K_A_SALA1303_1
(LYSR-TYPE REGULATORY
PROTEIN)		 2ynm LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE
IRON-SULFUR
ATP-BINDING PROTEIN
(Prochlorococcus
marinus) 		4 / 7 PRO A  67
SER A 115
ILE A  84
GLY A 126
 None
None
EPE  A1298 (-4.9A)
SF4  A1302 (-3.9A)
 0.97A 2y7kA-2ynmA:
undetectable		 2y7kA-2ynmA:
21.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2YA7_C_ZMRC1776_2
(NEURAMINIDASE A)		 5f9o CLADE A/E 93TH057
HIV-1 GP120 CORE
(Human
immunodeficiency
virus
1) 		4 / 6 ASP G 440
ILE G 326
GLN G 422
GLU G 381
 None
None
EPE  G 514 ( 4.6A)
None
 1.40A 2ya7C-5f9oG:
undetectable		 2ya7C-5f9oG:
19.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZJ0_A_2FAA500_2
(ADENOSYLHOMOCYSTEINA
SE)		 5d8g TRYPTOPHANASE
(Escherichia
coli) 		4 / 5 GLN A 140
THR A 138
HIS A 463
LEU A 400
 None
None
None
EPE  A1003 (-4.3A)
 1.15A 2zj0A-5d8gA:
2.8		 2zj0A-5d8gA:
22.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZM7_A_ACAA501_1
(6-AMINOHEXANOATE-DIM
ER HYDROLASE)		 4re2 BETA-MANNOSIDASE/BET
A-GLUCOSIDASE
(Oryza
sativa) 		4 / 7 ALA A 357
TYR A 412
TRP A 361
ILE A 364
 None
None
EPE  A 503 ( 3.5A)
None
 1.16A 2zm7A-4re2A:
undetectable		 2zm7A-4re2A:
22.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZUH_A_CAMA422_0
(CAMPHOR
5-MONOOXYGENASE)		 3v8i DOPAMINE N
ACETYLTRANSFERASE,
ISOFORM A
(Drosophila
melanogaster) 		4 / 6 THR A 162
LEU A 193
VAL A 189
VAL A 148
 None
None
None
EPE  A 301 (-4.3A)
 1.02A 2zuhA-3v8iA:
undetectable		 2zuhA-3v8iA:
19.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZUL_A_SAMA376_1
(PROBABLE RIBOSOMAL
RNA SMALL SUBUNIT
METHYLTRANSFERASE)		 4xzw ENDO-GLUCANASE
CHIMERA C10
(uncultured
bacterium;
Geobacillus
sp.
70PC53) 		3 / 3 SER A 273
GLU A 142
ASP A 183
 None
EPE  A 404 (-3.3A)
None
 0.77A 2zulA-4xzwA:
undetectable		 2zulA-4xzwA:
23.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZW9_A_SAMA801_0
(LEUCINE CARBOXYL
METHYLTRANSFERASE 2)		 2esb DUAL SPECIFICITY
PROTEIN PHOSPHATASE
18
(Homo
sapiens) 		5 / 12 ILE A 174
ASN A 144
SER A 109
GLY A 146
TYR A 178
 None
None
EPE  A1002 (-4.3A)
None
None
 1.17A 2zw9A-2esbA:
undetectable		 2zw9A-2esbA:
13.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZW9_A_SAMA801_0
(LEUCINE CARBOXYL
METHYLTRANSFERASE 2)		 3pgv HALOACID
DEHALOGENASE-LIKE
HYDROLASE
(Klebsiella
pneumoniae) 		5 / 12 ILE A 248
ASN A 251
GLY A  11
ASP A  10
LEU A 222
 None
None
GOL  A 272 ( 4.2A)
EPE  A 268 (-3.2A)
None
 1.05A 2zw9A-3pgvA:
undetectable		 2zw9A-3pgvA:
17.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZXW_C_CHDC525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3ec7 PUTATIVE
DEHYDROGENASE
(Salmonella
enterica) 		4 / 6 HIS A 176
ASP A 277
TYR A 129
HIS A 155
 EPE  A 401 (-4.0A)
None
None
EPE  A 401 (-4.4A)
 1.08A 2zxwA-3ec7A:
undetectable
2zxwC-3ec7A:
undetectable		 2zxwA-3ec7A:
20.73
2zxwC-3ec7A:
19.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZXW_P_CHDP1525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3ec7 PUTATIVE
DEHYDROGENASE
(Salmonella
enterica) 		4 / 6 HIS A 176
ASP A 277
TYR A 129
HIS A 155
 EPE  A 401 (-4.0A)
None
None
EPE  A 401 (-4.4A)
 1.10A 2zxwN-3ec7A:
undetectable
2zxwP-3ec7A:
undetectable		 2zxwN-3ec7A:
20.73
2zxwP-3ec7A:
19.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ABK_C_CHDC525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3ec7 PUTATIVE
DEHYDROGENASE
(Salmonella
enterica) 		4 / 7 HIS A 176
ASP A 277
TYR A 129
HIS A 155
 EPE  A 401 (-4.0A)
None
None
EPE  A 401 (-4.4A)
 1.11A 3abkA-3ec7A:
undetectable
3abkC-3ec7A:
undetectable		 3abkA-3ec7A:
20.73
3abkC-3ec7A:
19.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ABK_P_CHDP1525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3ec7 PUTATIVE
DEHYDROGENASE
(Salmonella
enterica) 		4 / 7 HIS A 176
ASP A 277
TYR A 129
HIS A 155
 EPE  A 401 (-4.0A)
None
None
EPE  A 401 (-4.4A)
 1.14A 3abkN-3ec7A:
undetectable
3abkP-3ec7A:
undetectable		 3abkN-3ec7A:
20.73
3abkP-3ec7A:
19.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ABL_C_CHDC525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3ec7 PUTATIVE
DEHYDROGENASE
(Salmonella
enterica) 		4 / 8 HIS A 176
ASP A 277
TYR A 129
HIS A 155
 EPE  A 401 (-4.0A)
None
None
EPE  A 401 (-4.4A)
 1.13A 3ablA-3ec7A:
undetectable
3ablC-3ec7A:
undetectable
3ablP-3ec7A:
undetectable		 3ablA-3ec7A:
20.73
3ablC-3ec7A:
19.29
3ablP-3ec7A:
19.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ABL_P_CHDP1525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3ec7 PUTATIVE
DEHYDROGENASE
(Salmonella
enterica) 		4 / 8 HIS A 176
ASP A 277
TYR A 129
HIS A 155
 EPE  A 401 (-4.0A)
None
None
EPE  A 401 (-4.4A)
 1.10A 3ablC-3ec7A:
undetectable
3ablN-3ec7A:
undetectable
3ablP-3ec7A:
undetectable		 3ablC-3ec7A:
19.29
3ablN-3ec7A:
20.73
3ablP-3ec7A:
19.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ABM_C_CHDC525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3ec7 PUTATIVE
DEHYDROGENASE
(Salmonella
enterica) 		4 / 8 HIS A 176
ASP A 277
TYR A 129
HIS A 155
 EPE  A 401 (-4.0A)
None
None
EPE  A 401 (-4.4A)
 1.13A 3abmA-3ec7A:
undetectable
3abmC-3ec7A:
undetectable
3abmP-3ec7A:
undetectable		 3abmA-3ec7A:
20.73
3abmC-3ec7A:
19.29
3abmP-3ec7A:
19.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ABM_P_CHDP1525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3ec7 PUTATIVE
DEHYDROGENASE
(Salmonella
enterica) 		4 / 7 HIS A 176
ASP A 277
TYR A 129
HIS A 155
 EPE  A 401 (-4.0A)
None
None
EPE  A 401 (-4.4A)
 1.12A 3abmN-3ec7A:
undetectable
3abmP-3ec7A:
undetectable		 3abmN-3ec7A:
20.73
3abmP-3ec7A:
19.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AG1_C_CHDC525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3ec7 PUTATIVE
DEHYDROGENASE
(Salmonella
enterica) 		4 / 6 HIS A 176
ASP A 277
TYR A 129
HIS A 155
 EPE  A 401 (-4.0A)
None
None
EPE  A 401 (-4.4A)
 1.15A 3ag1A-3ec7A:
undetectable
3ag1C-3ec7A:
undetectable		 3ag1A-3ec7A:
20.73
3ag1C-3ec7A:
19.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AG1_P_CHDP1525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3ec7 PUTATIVE
DEHYDROGENASE
(Salmonella
enterica) 		4 / 6 HIS A 176
ASP A 277
TYR A 129
HIS A 155
 EPE  A 401 (-4.0A)
None
None
EPE  A 401 (-4.4A)
 1.16A 3ag1N-3ec7A:
undetectable
3ag1P-3ec7A:
undetectable		 3ag1N-3ec7A:
20.73
3ag1P-3ec7A:
19.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AG2_A_CHDA525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3ec7 PUTATIVE
DEHYDROGENASE
(Salmonella
enterica) 		4 / 7 HIS A 176
ASP A 277
TYR A 129
HIS A 155
 EPE  A 401 (-4.0A)
None
None
EPE  A 401 (-4.4A)
 1.14A 3ag2A-3ec7A:
undetectable
3ag2C-3ec7A:
undetectable		 3ag2A-3ec7A:
20.73
3ag2C-3ec7A:
19.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AG2_P_CHDP1525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3ec7 PUTATIVE
DEHYDROGENASE
(Salmonella
enterica) 		4 / 7 HIS A 176
ASP A 277
TYR A 129
HIS A 155
 EPE  A 401 (-4.0A)
None
None
EPE  A 401 (-4.4A)
 1.11A 3ag2N-3ec7A:
undetectable
3ag2P-3ec7A:
undetectable		 3ag2N-3ec7A:
20.73
3ag2P-3ec7A:
19.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AG3_C_CHDC525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3ec7 PUTATIVE
DEHYDROGENASE
(Salmonella
enterica) 		4 / 7 HIS A 176
ASP A 277
TYR A 129
HIS A 155
 EPE  A 401 (-4.0A)
None
None
EPE  A 401 (-4.4A)
 1.12A 3ag3A-3ec7A:
undetectable
3ag3C-3ec7A:
undetectable		 3ag3A-3ec7A:
20.73
3ag3C-3ec7A:
19.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AG3_P_CHDP1525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3ec7 PUTATIVE
DEHYDROGENASE
(Salmonella
enterica) 		4 / 7 HIS A 176
ASP A 277
TYR A 129
HIS A 155
 EPE  A 401 (-4.0A)
None
None
EPE  A 401 (-4.4A)
 1.11A 3ag3N-3ec7A:
undetectable
3ag3P-3ec7A:
undetectable		 3ag3N-3ec7A:
20.73
3ag3P-3ec7A:
19.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AG4_C_CHDC525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3ec7 PUTATIVE
DEHYDROGENASE
(Salmonella
enterica) 		4 / 7 HIS A 176
ASP A 277
TYR A 129
HIS A 155
 EPE  A 401 (-4.0A)
None
None
EPE  A 401 (-4.4A)
 1.14A 3ag4A-3ec7A:
undetectable
3ag4C-3ec7A:
undetectable		 3ag4A-3ec7A:
20.73
3ag4C-3ec7A:
19.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ASN_C_CHDC525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3ec7 PUTATIVE
DEHYDROGENASE
(Salmonella
enterica) 		4 / 6 HIS A 176
ASP A 277
TYR A 129
HIS A 155
 EPE  A 401 (-4.0A)
None
None
EPE  A 401 (-4.4A)
 1.13A 3asnA-3ec7A:
undetectable
3asnC-3ec7A:
undetectable		 3asnA-3ec7A:
20.73
3asnC-3ec7A:
19.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ASN_P_CHDP1525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3ec7 PUTATIVE
DEHYDROGENASE
(Salmonella
enterica) 		4 / 8 HIS A 176
ASP A 277
TYR A 129
HIS A 155
 EPE  A 401 (-4.0A)
None
None
EPE  A 401 (-4.4A)
 1.10A 3asnC-3ec7A:
undetectable
3asnN-3ec7A:
undetectable
3asnP-3ec7A:
undetectable		 3asnC-3ec7A:
19.29
3asnN-3ec7A:
20.73
3asnP-3ec7A:
19.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ASO_C_CHDC525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3ec7 PUTATIVE
DEHYDROGENASE
(Salmonella
enterica) 		4 / 8 HIS A 176
ASP A 277
TYR A 129
HIS A 155
 EPE  A 401 (-4.0A)
None
None
EPE  A 401 (-4.4A)
 1.12A 3asoA-3ec7A:
undetectable
3asoC-3ec7A:
undetectable
3asoP-3ec7A:
undetectable		 3asoA-3ec7A:
20.73
3asoC-3ec7A:
19.29
3asoP-3ec7A:
19.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ASO_P_CHDP1525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3ec7 PUTATIVE
DEHYDROGENASE
(Salmonella
enterica) 		4 / 8 HIS A 176
ASP A 277
TYR A 129
HIS A 155
 EPE  A 401 (-4.0A)
None
None
EPE  A 401 (-4.4A)
 1.09A 3asoC-3ec7A:
undetectable
3asoN-3ec7A:
undetectable
3asoP-3ec7A:
undetectable		 3asoC-3ec7A:
19.29
3asoN-3ec7A:
20.73
3asoP-3ec7A:
19.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3B7P_B_SPMB502_1
(SPERMIDINE SYNTHASE)		 4je5 AROMATIC/AMINOADIPAT
E AMINOTRANSFERASE 1
(Saccharomyces
cerevisiae) 		5 / 12 TRP A 315
HIS A 277
ASP A 359
GLN A 354
ILE A 124
 None
EPE  A 602 (-3.7A)
EPE  A 602 ( 4.6A)
None
None
 1.22A 3b7pB-4je5A:
4.7		 3b7pB-4je5A:
20.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3B9L_A_AZZA1009_1
(SERUM ALBUMIN)		 5ce7 CTD KINASE SUBUNIT
GAMMA
(Schizosaccharomy
ces
pombe) 		4 / 8 TYR A  62
SER A  23
GLN A  24
VAL A  95
 EPE  A 202 (-3.9A)
None
None
None
 1.24A 3b9lA-5ce7A:
2.3		 3b9lA-5ce7A:
14.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3BJM_B_BJMB2_1
(DIPEPTIDYL PEPTIDASE
4)		 3w5f BETA-GALACTOSIDASE
(Solanum
lycopersicum) 		5 / 12 GLU A 250
PHE A 285
TYR A  74
ASN A 180
VAL A 117
 EPE  A 804 (-3.8A)
None
CL  A 807 (-4.2A)
None
None
 1.48A 3bjmB-3w5fA:
2.9		 3bjmB-3w5fA:
21.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3C6G_B_VD3B700_1
(CYTOCHROME P450 2R1)		 4liz ACTIN-BINDING
PROTEIN,
COFILIN/TROPOMYOSIN
FAMILY PROTEIN,
PUTATIVE
(Entamoeba
histolytica) 		5 / 12 LEU A  38
ALA A  59
ALA A  54
VAL A  51
VAL A  97
 None
EPE  A 201 ( 3.8A)
None
None
None
 1.13A 3c6gB-4lizA:
undetectable		 3c6gB-4lizA:
15.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CE6_A_ADNA500_2
(ADENOSYLHOMOCYSTEINA
SE)		 5d8g TRYPTOPHANASE
(Escherichia
coli) 		4 / 5 GLN A 140
THR A 138
HIS A 463
LEU A 400
 None
None
None
EPE  A1003 (-4.3A)
 1.19A 3ce6A-5d8gA:
undetectable		 3ce6A-5d8gA:
22.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CE6_C_ADNC500_2
(ADENOSYLHOMOCYSTEINA
SE)		 5d8g TRYPTOPHANASE
(Escherichia
coli) 		4 / 5 GLN A 140
THR A 138
HIS A 463
LEU A 400
 None
None
None
EPE  A1003 (-4.3A)
 1.16A 3ce6C-5d8gA:
2.4		 3ce6C-5d8gA:
22.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CE6_D_ADND500_2
(ADENOSYLHOMOCYSTEINA
SE)		 5d8g TRYPTOPHANASE
(Escherichia
coli) 		4 / 5 GLN A 140
THR A 138
HIS A 463
LEU A 400
 None
None
None
EPE  A1003 (-4.3A)
 1.17A 3ce6D-5d8gA:
undetectable		 3ce6D-5d8gA:
22.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CYX_A_ROCA201_1
(HIV-1 PROTEASE)		 2ynm LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE
IRON-SULFUR
ATP-BINDING PROTEIN
LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT N
(Prochlorococcus
marinus) 		5 / 12 LEU A  87
ALA C  71
GLY A 126
VAL A  83
ILE A  84
 None
None
SF4  A1302 (-3.9A)
None
EPE  A1298 (-4.9A)
 0.99A 3cyxA-2ynmA:
undetectable		 3cyxA-2ynmA:
18.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CZH_B_D2VB602_1
(CYTOCHROME P450 2R1)		 4liz ACTIN-BINDING
PROTEIN,
COFILIN/TROPOMYOSIN
FAMILY PROTEIN,
PUTATIVE
(Entamoeba
histolytica) 		5 / 12 LEU A  38
ALA A  59
ALA A  54
VAL A  51
VAL A  97
 None
EPE  A 201 ( 3.8A)
None
None
None
 1.11A 3czhB-4lizA:
undetectable		 3czhB-4lizA:
15.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3D1X_A_ROCA201_2
(HIV-1 PROTEASE)		 2ynm LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE
IRON-SULFUR
ATP-BINDING PROTEIN
LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT N
(Prochlorococcus
marinus) 		5 / 12 LEU A  87
ALA C  71
GLY A 126
VAL A  83
ILE A  84
 None
None
SF4  A1302 (-3.9A)
None
EPE  A1298 (-4.9A)
 0.94A 3d1xB-2ynmA:
undetectable		 3d1xB-2ynmA:
18.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3D2T_A_1FLA502_1
(TRANSTHYRETIN)		 2eyq TRANSCRIPTION-REPAIR
COUPLING FACTOR
(Escherichia
coli) 		4 / 7 LEU A 939
ALA A 910
LEU A 784
SER A 906
 EPE  A1151 (-4.0A)
None
None
EPE  A1152 (-2.8A)
 1.00A 3d2tA-2eyqA:
undetectable		 3d2tA-2eyqA:
8.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3D41_A_FCNA4001_1
(FOMA PROTEIN)		 2esb DUAL SPECIFICITY
PROTEIN PHOSPHATASE
18
(Homo
sapiens) 		4 / 8 GLY A  32
GLY A 107
ILE A 140
SER A  18
 None
EPE  A1002 (-4.3A)
None
None
 0.65A 3d41A-2esbA:
undetectable		 3d41A-2esbA:
20.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3DH0_A_SAMA220_0
(SAM DEPENDENT
METHYLTRANSFERASE)		 3p3l CYTOCHROME P450
(Streptomyces
thioluteus) 		5 / 12 VAL A 292
PHE A 354
VAL A 321
ALA A 294
LEU A  48
 None
EPE  A 409 (-3.8A)
None
HEM  A 501 ( 3.8A)
None
 1.35A 3dh0A-3p3lA:
undetectable		 3dh0A-3p3lA:
20.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EL1_A_DR7A100_1
(PROTEASE)		 2ynm LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE
IRON-SULFUR
ATP-BINDING PROTEIN
LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT N
(Prochlorococcus
marinus) 		5 / 11 LEU A  87
ALA C  71
GLY A 126
VAL A  83
ILE A  84
 None
None
SF4  A1302 (-3.9A)
None
EPE  A1298 (-4.9A)
 0.98A 3el1A-2ynmA:
undetectable		 3el1A-2ynmA:
18.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EM3_B_478B200_2
(PROTEASE)		 2ynm LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE
IRON-SULFUR
ATP-BINDING PROTEIN
LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT N
(Prochlorococcus
marinus) 		5 / 10 LEU A  87
ALA C  71
GLY A 126
VAL A  83
ILE A  84
 None
None
SF4  A1302 (-3.9A)
None
EPE  A1298 (-4.9A)
 0.99A 3em3B-2ynmA:
undetectable		 3em3B-2ynmA:
16.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EM6_A_017A200_2
(PROTEASE)		 2ynm LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE
IRON-SULFUR
ATP-BINDING PROTEIN
LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT N
(Prochlorococcus
marinus) 		5 / 12 LEU A  87
ALA C  71
GLY A 126
VAL A  83
ILE A  84
 None
None
SF4  A1302 (-3.9A)
None
EPE  A1298 (-4.9A)
 0.91A 3em6B-2ynmA:
undetectable		 3em6B-2ynmA:
16.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3FHJ_D_TRPD1001_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)		 4krt AUTOLYTIC LYSOZYME
(Clostridium
phage
phiSM101) 		5 / 9 GLY A 190
MET A 193
ASP A 192
ILE A  12
VAL A 187
 None
None
EPE  A 401 (-3.3A)
None
None
 1.48A 3fhjD-4krtA:
2.1		 3fhjD-4krtA:
22.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3FHJ_F_TRPF1001_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)		 4krt AUTOLYTIC LYSOZYME
(Clostridium
phage
phiSM101) 		5 / 9 GLY A 190
MET A 193
ASP A 192
ILE A  12
VAL A 187
 None
None
EPE  A 401 (-3.3A)
None
None
 1.48A 3fhjF-4krtA:
undetectable		 3fhjF-4krtA:
22.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3G1U_D_ADND438_1
(ADENOSYLHOMOCYSTEINA
SE)		 1evq SERINE HYDROLASE
(Alicyclobacillus
acidocaldarius) 		5 / 12 LEU A  90
THR A  92
ASP A 112
LEU A 115
GLY A  83
 None
None
None
None
EPE  A 455 (-3.3A)
 1.28A 3g1uD-1evqA:
3.7		 3g1uD-1evqA:
21.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GP0_A_NILA1_2
(MITOGEN-ACTIVATED
PROTEIN KINASE 11)		 2gq3 MALATE SYNTHASE G
(Mycobacterium
tuberculosis) 		4 / 7 VAL A 118
LEU A 122
LEU A 128
ILE A 269
 COA  A 800 (-3.9A)
EPE  A5000 (-4.1A)
None
None
 0.71A 3gp0A-2gq3A:
undetectable		 3gp0A-2gq3A:
20.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3H52_A_486A3_1
(GLUCOCORTICOID
RECEPTOR)		 1vey PEPTIDE DEFORMYLASE
(Leptospira
interrogans) 		5 / 12 MET A  37
GLY A  48
VAL A 140
LEU A 148
ILE A  82
 None
EPE  A1716 (-4.1A)
EPE  A1716 ( 4.9A)
None
None
 1.38A 3h52A-1veyA:
undetectable		 3h52A-1veyA:
19.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3H52_A_486A3_1
(GLUCOCORTICOID
RECEPTOR)		 1vey PEPTIDE DEFORMYLASE
(Leptospira
interrogans) 		5 / 12 MET A  37
GLY A  64
VAL A  77
ARG A  70
ILE A  82
 None
None
None
EPE  A1716 (-3.4A)
None
 1.43A 3h52A-1veyA:
undetectable		 3h52A-1veyA:
19.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3H52_A_486A3_1
(GLUCOCORTICOID
RECEPTOR)		 1vey PEPTIDE DEFORMYLASE
(Leptospira
interrogans) 		5 / 12 MET A  37
LEU A  49
VAL A 140
LEU A 148
ILE A  82
 None
None
EPE  A1716 ( 4.9A)
None
None
 1.39A 3h52A-1veyA:
undetectable		 3h52A-1veyA:
19.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3H52_A_486A3_1
(GLUCOCORTICOID
RECEPTOR)		 3gc2 O-SUCCINYLBENZOATE
SYNTHASE
(Salmonella
enterica) 		5 / 12 LEU A 109
GLY A 288
VAL A 260
LEU A 158
ILE A 129
 None
SIN  A 400 (-3.2A)
None
None
EPE  A 402 (-4.4A)
 1.38A 3h52A-3gc2A:
undetectable		 3h52A-3gc2A:
21.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3H5G_A_LEIA16_0
(COIL SER L16D-PEN)		 3pgv HALOACID
DEHALOGENASE-LIKE
HYDROLASE
(Klebsiella
pneumoniae) 		4 / 6 LYS A 191
LEU A 195
GLU A 196
LEU A 206
 EPE  A 268 (-3.1A)
None
None
None
 0.86A 3h5gA-3pgvA:
undetectable
3h5gC-3pgvA:
undetectable		 3h5gA-3pgvA:
7.81
3h5gC-3pgvA:
7.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3HLW_A_CE3A301_1
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		 1n9b BETA-LACTAMASE SHV-2
(Klebsiella
pneumoniae) 		7 / 12 LYS A  73
TYR A 105
SER A 130
ASN A 132
ASN A 170
LYS A 234
GLY A 236
 None
EPE  A 400 (-3.6A)
EPE  A 400 (-2.5A)
None
None
EPE  A 400 (-3.1A)
EPE  A 400 (-3.1A)
 0.64A 3hlwA-1n9bA:
35.6		 3hlwA-1n9bA:
39.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3HLW_A_CE3A301_1
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		 3lez BETA-LACTAMASE
(Oceanobacillus
iheyensis) 		8 / 12 LYS A  88
TYR A 118
ASN A 145
ASN A 183
THR A 229
LYS A 247
GLY A 249
GLY A 251
 None
EPE  A 305 (-3.3A)
None
None
EPE  A 305 ( 3.9A)
EPE  A 305 (-3.1A)
EPE  A 305 (-3.4A)
None
 0.60A 3hlwA-3lezA:
41.6		 3hlwA-3lezA:
43.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3HLW_A_CE3A301_1
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		 3lez BETA-LACTAMASE
(Oceanobacillus
iheyensis) 		7 / 12 TYR A 118
SER A 143
ASN A 145
THR A 229
LYS A 247
GLY A 249
GLY A 251
 EPE  A 305 (-3.3A)
EPE  A 305 (-2.5A)
None
EPE  A 305 ( 3.9A)
EPE  A 305 (-3.1A)
EPE  A 305 (-3.4A)
None
 0.66A 3hlwA-3lezA:
41.6		 3hlwA-3lezA:
43.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3HLW_B_CE3B302_1
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		 1n9b BETA-LACTAMASE SHV-2
(Klebsiella
pneumoniae) 		6 / 12 SER A 130
ASN A 132
ASN A 170
LYS A 234
THR A 235
GLY A 236
 EPE  A 400 (-2.5A)
None
None
EPE  A 400 (-3.1A)
EPE  A 400 (-3.8A)
EPE  A 400 (-3.1A)
 0.64A 3hlwB-1n9bA:
35.7		 3hlwB-1n9bA:
39.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3HLW_B_CE3B302_1
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		 1n9b BETA-LACTAMASE SHV-2
(Klebsiella
pneumoniae) 		6 / 12 TYR A 105
SER A 130
ASN A 132
ASN A 170
LYS A 234
GLY A 236
 EPE  A 400 (-3.6A)
EPE  A 400 (-2.5A)
None
None
EPE  A 400 (-3.1A)
EPE  A 400 (-3.1A)
 0.65A 3hlwB-1n9bA:
35.7		 3hlwB-1n9bA:
39.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3HLW_B_CE3B302_1
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		 3lez BETA-LACTAMASE
(Oceanobacillus
iheyensis) 		8 / 12 TYR A 118
ASN A 145
ASN A 183
THR A 229
LYS A 247
THR A 248
GLY A 249
GLY A 251
 EPE  A 305 (-3.3A)
None
None
EPE  A 305 ( 3.9A)
EPE  A 305 (-3.1A)
EPE  A 305 (-3.6A)
EPE  A 305 (-3.4A)
None
 0.56A 3hlwB-3lezA:
41.5		 3hlwB-3lezA:
43.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3HLW_B_CE3B302_1
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		 3lez BETA-LACTAMASE
(Oceanobacillus
iheyensis) 		8 / 12 TYR A 118
SER A 143
ASN A 145
THR A 229
LYS A 247
THR A 248
GLY A 249
GLY A 251
 EPE  A 305 (-3.3A)
EPE  A 305 (-2.5A)
None
EPE  A 305 ( 3.9A)
EPE  A 305 (-3.1A)
EPE  A 305 (-3.6A)
EPE  A 305 (-3.4A)
None
 0.64A 3hlwB-3lezA:
41.5		 3hlwB-3lezA:
43.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3HUO_A_PNNA300_0
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		 1n9b BETA-LACTAMASE SHV-2
(Klebsiella
pneumoniae) 		6 / 12 LYS A  73
ASN A 132
ASN A 170
LYS A 234
THR A 235
GLY A 236
 None
None
None
EPE  A 400 (-3.1A)
EPE  A 400 (-3.8A)
EPE  A 400 (-3.1A)
 0.38A 3huoA-1n9bA:
35.7		 3huoA-1n9bA:
39.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3HUO_A_PNNA300_0
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		 3lez BETA-LACTAMASE
(Oceanobacillus
iheyensis) 		7 / 12 LYS A  88
ASN A 145
ASN A 183
LYS A 247
THR A 248
GLY A 249
GLY A 251
 None
None
None
EPE  A 305 (-3.1A)
EPE  A 305 (-3.6A)
EPE  A 305 (-3.4A)
None
 0.37A 3huoA-3lezA:
41.5		 3huoA-3lezA:
43.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3HUO_B_PNNB301_0
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		 1n9b BETA-LACTAMASE SHV-2
(Klebsiella
pneumoniae) 		5 / 12 LYS A  73
ASN A 132
ASN A 170
LYS A 234
GLY A 236
 None
None
None
EPE  A 400 (-3.1A)
EPE  A 400 (-3.1A)
 0.32A 3huoB-1n9bA:
35.9		 3huoB-1n9bA:
39.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3HUO_B_PNNB301_0
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		 3lez BETA-LACTAMASE
(Oceanobacillus
iheyensis) 		6 / 12 LYS A  88
ASN A 145
ASN A 183
LYS A 247
GLY A 249
GLY A 251
 None
None
None
EPE  A 305 (-3.1A)
EPE  A 305 (-3.4A)
None
 0.37A 3huoB-3lezA:
41.6		 3huoB-3lezA:
43.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3IHZ_A_FK5A501_2
(70 KDA
PEPTIDYLPROLYL
ISOMERASE, PUTATIVE)		 3q46 TT-IPPASE
(Thermococcus
thioreducens) 		4 / 8 ASP A  43
TYR A  52
GLY A  57
ILE A  23
 EPE  A 309 ( 4.3A)
None
None
None
 0.78A 3ihzB-3q46A:
undetectable		 3ihzB-3q46A:
20.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JB3_A_SAMA1102_0
(STRUCTURAL PROTEIN
VP3)		 3etc AMP-BINDING PROTEIN
(Methanosarcina
acetivorans) 		5 / 12 ILE A 303
ALA A 326
ALA A 323
ALA A 250
VAL A 249
 None
1PE  A 994 ( 3.7A)
None
None
EPE  A 996 (-3.6A)
 1.05A 3jb3A-3etcA:
undetectable		 3jb3A-3etcA:
19.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JVY_B_017B401_1
(GAG-POL POLYPROTEIN)		 2ynm LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE
IRON-SULFUR
ATP-BINDING PROTEIN
LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT N
(Prochlorococcus
marinus) 		5 / 12 LEU A  87
ALA C  71
GLY A 126
VAL A  83
ILE A  84
 None
None
SF4  A1302 (-3.9A)
None
EPE  A1298 (-4.9A)
 0.93A 3jvyA-2ynmA:
undetectable		 3jvyA-2ynmA:
17.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K13_A_THHA642_0
(5-METHYLTETRAHYDROFO
LATE-HOMOCYSTEINE
METHYLTRANSFERASE)		 5l9w ACETOPHENONE
CARBOXYLASE DELTA
SUBUNIT
ACETOPHENONE
CARBOXYLASE GAMMA
SUBUNIT
(Aromatoleum
aromaticum;
Aromatoleum
aromaticum) 		5 / 12 GLY B 572
VAL B 529
GLY A 408
SER A 410
ASN A 405
 None
None
None
EPE  A 704 (-3.7A)
None
 1.25A 3k13A-5l9wB:
undetectable		 3k13A-5l9wB:
18.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K13_B_THHB643_0
(5-METHYLTETRAHYDROFO
LATE-HOMOCYSTEINE
METHYLTRANSFERASE)		 5l9w ACETOPHENONE
CARBOXYLASE DELTA
SUBUNIT
ACETOPHENONE
CARBOXYLASE GAMMA
SUBUNIT
(Aromatoleum
aromaticum;
Aromatoleum
aromaticum) 		5 / 12 GLY B 572
VAL B 529
GLY A 408
SER A 410
ASN A 405
 None
None
None
EPE  A 704 (-3.7A)
None
 1.27A 3k13B-5l9wB:
undetectable		 3k13B-5l9wB:
18.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K13_C_THHC643_0
(5-METHYLTETRAHYDROFO
LATE-HOMOCYSTEINE
METHYLTRANSFERASE)		 5l9w ACETOPHENONE
CARBOXYLASE DELTA
SUBUNIT
ACETOPHENONE
CARBOXYLASE GAMMA
SUBUNIT
(Aromatoleum
aromaticum;
Aromatoleum
aromaticum) 		6 / 12 GLY B 572
VAL B 529
GLY A 408
SER A 410
ASN A 405
PHE A 456
 None
None
None
EPE  A 704 (-3.7A)
None
None
 1.33A 3k13C-5l9wB:
undetectable		 3k13C-5l9wB:
18.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K4V_D_ROCD201_1
(HIV-1 PROTEASE)		 2ynm LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE
IRON-SULFUR
ATP-BINDING PROTEIN
LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT N
(Prochlorococcus
marinus) 		5 / 12 LEU A  87
ALA C  71
GLY A 126
VAL A  83
ILE A  84
 None
None
SF4  A1302 (-3.9A)
None
EPE  A1298 (-4.9A)
 1.02A 3k4vC-2ynmA:
undetectable		 3k4vC-2ynmA:
18.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K4V_D_ROCD201_3
(HIV-1 PROTEASE)		 2ynm LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE
IRON-SULFUR
ATP-BINDING PROTEIN
LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT N
(Prochlorococcus
marinus) 		5 / 12 LEU A  87
ALA C  71
GLY A 125
VAL A  83
ILE A  84
 None
None
SF4  A1302 (-4.1A)
None
EPE  A1298 (-4.9A)
 0.94A 3k4vD-2ynmA:
undetectable		 3k4vD-2ynmA:
18.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KEE_A_30BA500_1
(GENOME POLYPROTEIN)		 1evq SERINE HYDROLASE
(Alicyclobacillus
acidocaldarius) 		5 / 12 HIS A 282
ASP A 252
GLY A  82
SER A 155
ALA A 285
 EPE  A 455 (-4.0A)
None
EPE  A 455 (-3.5A)
EPE  A 455 (-1.4A)
None
 1.12A 3keeA-1evqA:
undetectable		 3keeA-1evqA:
19.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KEE_B_30BB500_1
(GENOME POLYPROTEIN)		 1evq SERINE HYDROLASE
(Alicyclobacillus
acidocaldarius) 		5 / 12 HIS A 282
ASP A 252
GLY A  82
SER A 155
ALA A 285
 EPE  A 455 (-4.0A)
None
EPE  A 455 (-3.5A)
EPE  A 455 (-1.4A)
None
 1.08A 3keeB-1evqA:
undetectable		 3keeB-1evqA:
19.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KEE_B_30BB500_1
(GENOME POLYPROTEIN)		 1evq SERINE HYDROLASE
(Alicyclobacillus
acidocaldarius) 		5 / 12 HIS A 282
ASP A 252
VAL A  96
GLY A  82
SER A 155
 EPE  A 455 (-4.0A)
None
None
EPE  A 455 (-3.5A)
EPE  A 455 (-1.4A)
 1.05A 3keeB-1evqA:
undetectable		 3keeB-1evqA:
19.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KEE_D_30BD500_1
(GENOME POLYPROTEIN)		 1evq SERINE HYDROLASE
(Alicyclobacillus
acidocaldarius) 		5 / 12 HIS A 282
ASP A 252
GLY A  82
SER A 155
ALA A 285
 EPE  A 455 (-4.0A)
None
EPE  A 455 (-3.5A)
EPE  A 455 (-1.4A)
None
 1.08A 3keeD-1evqA:
undetectable		 3keeD-1evqA:
19.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KO0_D_TFPD201_1
(PROTEIN S100-A4)		 1d1p TYROSINE PHOSPHATASE
(Saccharomyces
cerevisiae) 		4 / 8 GLY A 136
CYH A  13
MET A  93
PHE A 151
 None
EPE  A 201 (-3.3A)
None
None
 0.92A 3ko0D-1d1pA:
undetectable
3ko0E-1d1pA:
undetectable		 3ko0D-1d1pA:
23.36
3ko0E-1d1pA:
23.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KO0_I_TFPI201_1
(PROTEIN S100-A4)		 4dsh UDP-GALACTOPYRANOSE
MUTASE
(Trypanosoma
cruzi) 		5 / 9 PHE A 424
GLY A 425
PRO A 264
GLY A 432
ILE A 391
 None
None
None
FDA  A 502 (-4.6A)
EPE  A 506 ( 4.8A)
 1.42A 3ko0H-4dshA:
undetectable
3ko0I-4dshA:
undetectable		 3ko0H-4dshA:
10.67
3ko0I-4dshA:
10.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KO0_J_TFPJ201_1
(PROTEIN S100-A4)		 1d1p TYROSINE PHOSPHATASE
(Saccharomyces
cerevisiae) 		4 / 8 GLY A 136
CYH A  13
MET A  93
PHE A 151
 None
EPE  A 201 (-3.3A)
None
None
 0.84A 3ko0B-1d1pA:
undetectable
3ko0J-1d1pA:
undetectable		 3ko0B-1d1pA:
23.36
3ko0J-1d1pA:
23.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KP2_B_PNNB5002_0
(TRANSCRIPTIONAL
REGULATOR TCAR)		 4y0e PUTATIVE DIOXYGENASE
(Mycobacteroides
abscessus) 		4 / 5 ASN A 101
ALA A 266
ALA A  99
ARG A 273
 EPE  A 403 ( 4.6A)
None
None
None
 1.47A 3kp2B-4y0eA:
undetectable		 3kp2B-4y0eA:
19.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LK0_D_Z80D92_1
(PROTEIN S100-B)		 1tvp CELLULASE
(Pseudoalteromona
s
haloplanktis) 		3 / 3 HIS A 200
PHE A 245
PHE A 246
 EPE  A 700 (-4.0A)
None
None
 0.36A 3lk0D-1tvpA:
undetectable		 3lk0D-1tvpA:
15.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LN1_A_CELA682_2
(PROSTAGLANDIN G/H
SYNTHASE 2)		 1oe5 SINGLE-STRAND
SELECTIVE
MONOFUNCTIONAL
URACIL DNA
GLYCOSYLASE
(Xenopus
laevis) 		4 / 8 LEU A  53
SER A  54
LEU A 193
ILE A 204
 None
EPE  A1285 (-4.5A)
None
None
 0.93A 3ln1A-1oe5A:
undetectable		 3ln1A-1oe5A:
18.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LN1_B_CELB682_2
(PROSTAGLANDIN G/H
SYNTHASE 2)		 1oe5 SINGLE-STRAND
SELECTIVE
MONOFUNCTIONAL
URACIL DNA
GLYCOSYLASE
(Xenopus
laevis) 		4 / 7 LEU A  53
SER A  54
LEU A 193
ILE A 204
 None
EPE  A1285 (-4.5A)
None
None
 0.91A 3ln1B-1oe5A:
undetectable		 3ln1B-1oe5A:
18.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LTW_A_HLZA300_1
(ARYLAMINE
N-ACETYLTRANSFERASE
NAT)		 4q5w MATERNAL PROTEIN
TUDOR
(Drosophila
melanogaster) 		4 / 6 PHE A2121
CYH A2087
VAL A2117
PHE A1998
 EPE  A2201 (-4.4A)
None
None
EPE  A2201 (-3.3A)
 1.27A 3ltwA-4q5wA:
undetectable		 3ltwA-4q5wA:
19.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MG0_H_BO2H1400_1
(PROTEASOME COMPONENT
PUP1
PROTEASOME COMPONENT
PUP3)		 2ynm LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE
IRON-SULFUR
ATP-BINDING PROTEIN
LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT N
(Prochlorococcus
marinus) 		5 / 11 THR A  82
THR A 132
GLN A 131
GLY A 117
ALA C  71
 EPE  A1298 (-2.7A)
None
GOL  D1532 (-2.7A)
EPE  A1298 (-4.5A)
None
 1.29A 3mg0H-2ynmA:
undetectable
3mg0I-2ynmA:
undetectable		 3mg0H-2ynmA:
22.19
3mg0I-2ynmA:
22.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MWS_B_017B201_2
(HIV-1 PROTEASE)		 2ynm LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE
IRON-SULFUR
ATP-BINDING PROTEIN
LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT N
(Prochlorococcus
marinus) 		5 / 12 LEU A  87
ALA C  71
GLY A 126
VAL A  83
ILE A  84
 None
None
SF4  A1302 (-3.9A)
None
EPE  A1298 (-4.9A)
 1.02A 3mwsB-2ynmA:
undetectable		 3mwsB-2ynmA:
17.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MZE_A_CFXA364_1
(D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACA)		 1n9b BETA-LACTAMASE SHV-2
(Klebsiella
pneumoniae) 		6 / 12 SER A  70
LYS A  73
ASN A 132
THR A 235
GLY A 236
ARG A 244
 EPE  A 400 (-3.7A)
None
None
EPE  A 400 (-3.8A)
EPE  A 400 (-3.1A)
MA4  A 310 ( 3.8A)
 1.15A 3mzeA-1n9bA:
21.6		 3mzeA-1n9bA:
22.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MZE_A_CFXA364_1
(D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACA)		 3lez BETA-LACTAMASE
(Oceanobacillus
iheyensis) 		6 / 12 SER A  85
LYS A  88
ASN A 145
THR A 248
GLY A 249
ARG A 256
 EPE  A 305 (-3.4A)
None
None
EPE  A 305 (-3.6A)
EPE  A 305 (-3.4A)
EPE  A 305 (-3.7A)
 0.98A 3mzeA-3lezA:
20.5		 3mzeA-3lezA:
22.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MZE_A_CFXA364_1
(D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACA)		 5za2 BETA-LACTAMASE
(Escherichia
coli) 		6 / 12 SER A  64
LYS A  67
ASN A 152
GLY A 316
THR A 318
ARG A 348
 NXL  A 401 (-1.3A)
NXL  A 401 ( 3.8A)
NXL  A 401 (-3.6A)
NXL  A 401 (-3.4A)
EPE  A 405 (-4.1A)
None
 0.97A 3mzeA-5za2A:
14.8		 3mzeA-5za2A:
14.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MZE_A_CFXA364_1
(D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACA)		 5za2 BETA-LACTAMASE
(Escherichia
coli) 		6 / 12 SER A  64
LYS A  67
ASN A 152
THR A 315
GLY A 316
THR A 318
 NXL  A 401 (-1.3A)
NXL  A 401 ( 3.8A)
NXL  A 401 (-3.6A)
NXL  A 401 (-4.0A)
NXL  A 401 (-3.4A)
EPE  A 405 (-4.1A)
 0.67A 3mzeA-5za2A:
14.8		 3mzeA-5za2A:
14.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3N2O_C_AG2C1002_1
(BIOSYNTHETIC
ARGININE
DECARBOXYLASE)		 2ynm LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE
IRON-SULFUR
ATP-BINDING PROTEIN
(Prochlorococcus
marinus) 		4 / 8 HIS A 231
SER A 211
LEU A 293
ASP A 215
 None
EPE  A1297 (-4.3A)
None
None
 1.23A 3n2oC-2ynmA:
undetectable
3n2oD-2ynmA:
undetectable		 3n2oC-2ynmA:
19.41
3n2oD-2ynmA:
19.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3N8X_A_NIMA701_1
(PROSTAGLANDIN G/H
SYNTHASE 1)		 3vwo PEPTIDOGLYCAN
HYDROLASE FLGJ
(Sphingomonas
sp.
A1) 		5 / 12 HIS A 176
TYR A 281
PHE A 272
ALA A 182
LEU A 204
 None
EPE  A 401 (-3.4A)
None
None
None
 1.24A 3n8xA-3vwoA:
undetectable		 3n8xA-3vwoA:
11.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NDU_A_ROCA101_1
(PROTEASE)		 2ynm LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE
IRON-SULFUR
ATP-BINDING PROTEIN
LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT N
(Prochlorococcus
marinus) 		5 / 12 LEU A  87
ALA C  71
GLY A 125
VAL A  83
ILE A  84
 None
None
SF4  A1302 (-4.1A)
None
EPE  A1298 (-4.9A)
 0.92A 3nduA-2ynmA:
undetectable		 3nduA-2ynmA:
18.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NDU_A_ROCA101_2
(PROTEASE)		 2ynm LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE
IRON-SULFUR
ATP-BINDING PROTEIN
LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT N
(Prochlorococcus
marinus) 		5 / 12 LEU A  87
ALA C  71
GLY A 126
VAL A  83
ILE A  84
 None
None
SF4  A1302 (-3.9A)
None
EPE  A1298 (-4.9A)
 0.98A 3nduB-2ynmA:
undetectable		 3nduB-2ynmA:
18.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NDU_D_ROCD100_2
(PROTEASE)		 2ynm LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE
IRON-SULFUR
ATP-BINDING PROTEIN
LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT N
(Prochlorococcus
marinus) 		5 / 12 LEU A  87
ALA C  71
GLY A 125
VAL A  83
ILE A  84
 None
None
SF4  A1302 (-4.1A)
None
EPE  A1298 (-4.9A)
 0.93A 3nduD-2ynmA:
undetectable		 3nduD-2ynmA:
18.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NU3_B_478B401_1
(PROTEASE)		 2ynm LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE
IRON-SULFUR
ATP-BINDING PROTEIN
LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT N
(Prochlorococcus
marinus) 		5 / 12 LEU A  87
ALA C  71
GLY A 126
VAL A  83
ILE A  84
 None
None
SF4  A1302 (-3.9A)
None
EPE  A1298 (-4.9A)
 0.89A 3nu3A-2ynmA:
undetectable		 3nu3A-2ynmA:
18.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NU6_B_478B401_2
(PROTEASE)		 2ynm LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE
IRON-SULFUR
ATP-BINDING PROTEIN
LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT N
(Prochlorococcus
marinus) 		5 / 10 LEU A  87
ALA C  71
GLY A 126
VAL A  83
ILE A  84
 None
None
SF4  A1302 (-3.9A)
None
EPE  A1298 (-4.9A)
 1.04A 3nu6B-2ynmA:
undetectable		 3nu6B-2ynmA:
18.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NXU_B_RITB600_2
(CYTOCHROME P450 3A4)		 2eyq TRANSCRIPTION-REPAIR
COUPLING FACTOR
(Escherichia
coli) 		5 / 9 ARG A 456
ILE A 877
LEU A 850
PHE A 632
GLY A 633
 EPE  A1152 ( 4.8A)
None
None
None
None
 1.30A 3nxuB-2eyqA:
undetectable		 3nxuB-2eyqA:
18.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3NY4_A_SMXA308_1
(BETA-LACTAMASE)		 1n9b BETA-LACTAMASE SHV-2
(Klebsiella
pneumoniae) 		6 / 12 SER A  70
SER A 130
ASN A 170
LYS A 234
THR A 235
GLY A 236
 EPE  A 400 (-3.7A)
EPE  A 400 (-2.5A)
None
EPE  A 400 (-3.1A)
EPE  A 400 (-3.8A)
EPE  A 400 (-3.1A)
 0.60A 3ny4A-1n9bA:
33.6		 3ny4A-1n9bA:
36.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3NY4_A_SMXA308_1
(BETA-LACTAMASE)		 3lez BETA-LACTAMASE
(Oceanobacillus
iheyensis) 		8 / 12 SER A  85
SER A 143
ASN A 183
THR A 229
LYS A 247
THR A 248
GLY A 249
GLY A 251
 EPE  A 305 (-3.4A)
EPE  A 305 (-2.5A)
None
EPE  A 305 ( 3.9A)
EPE  A 305 (-3.1A)
EPE  A 305 (-3.6A)
EPE  A 305 (-3.4A)
None
 0.42A 3ny4A-3lezA:
40.2		 3ny4A-3lezA:
44.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3O9M_A_BEZA999_0
(CHOLINESTERASE)		 1evq SERINE HYDROLASE
(Alicyclobacillus
acidocaldarius) 		4 / 7 GLY A  83
GLY A  84
SER A 155
HIS A 282
 EPE  A 455 (-3.3A)
EPE  A 455 (-3.3A)
EPE  A 455 (-1.4A)
EPE  A 455 (-4.0A)
 0.33A 3o9mA-1evqA:
18.2		 3o9mA-1evqA:
22.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3O9M_A_BEZA999_0
(CHOLINESTERASE)		 1jji CARBOXYLESTERASE
(Archaeoglobus
fulgidus) 		4 / 7 GLY A  88
GLY A  89
SER A 160
HIS A 285
 EPE  A 455 (-3.7A)
EPE  A 455 (-3.4A)
EPE  A 455 (-1.6A)
EPE  A 455 (-4.6A)
 0.60A 3o9mA-1jjiA:
4.1		 3o9mA-1jjiA:
20.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3O9M_A_BEZA999_0
(CHOLINESTERASE)		 5w1u CARBOXYLIC ESTER
HYDROLASE
(Culex
quinquefasciatus) 		6 / 7 GLY A 109
GLY A 110
SER A 191
TRP A 224
PHE A 394
HIS A 442
 EPE  A 600 (-3.0A)
EPE  A 600 ( 4.4A)
MLI  A 601 ( 3.8A)
MLI  A 601 (-3.4A)
MLI  A 601 ( 4.1A)
EPE  A 600 ( 4.0A)
 0.54A 3o9mA-5w1uA:
41.1		 3o9mA-5w1uA:
31.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3O9M_B_BEZB999_0
(CHOLINESTERASE)		 1evq SERINE HYDROLASE
(Alicyclobacillus
acidocaldarius) 		4 / 6 GLY A  83
GLY A  84
SER A 155
HIS A 282
 EPE  A 455 (-3.3A)
EPE  A 455 (-3.3A)
EPE  A 455 (-1.4A)
EPE  A 455 (-4.0A)
 0.40A 3o9mB-1evqA:
3.5		 3o9mB-1evqA:
22.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3O9M_B_BEZB999_0
(CHOLINESTERASE)		 1jji CARBOXYLESTERASE
(Archaeoglobus
fulgidus) 		4 / 6 GLY A  88
GLY A  89
SER A 160
HIS A 285
 EPE  A 455 (-3.7A)
EPE  A 455 (-3.4A)
EPE  A 455 (-1.6A)
EPE  A 455 (-4.6A)
 0.64A 3o9mB-1jjiA:
5.6		 3o9mB-1jjiA:
20.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3O9M_B_BEZB999_0
(CHOLINESTERASE)		 5w1u CARBOXYLIC ESTER
HYDROLASE
(Culex
quinquefasciatus) 		5 / 6 GLY A 109
GLY A 110
SER A 191
TRP A 224
HIS A 442
 EPE  A 600 (-3.0A)
EPE  A 600 ( 4.4A)
MLI  A 601 ( 3.8A)
MLI  A 601 (-3.4A)
EPE  A 600 ( 4.0A)
 0.44A 3o9mB-5w1uA:
41.1		 3o9mB-5w1uA:
31.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OXV_B_478B200_1
(HIV-1 PROTEASE)		 2ynm LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE
IRON-SULFUR
ATP-BINDING PROTEIN
LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT N
(Prochlorococcus
marinus) 		5 / 9 LEU A  87
ALA C  71
GLY A 125
VAL A  83
ILE A  84
 None
None
SF4  A1302 (-4.1A)
None
EPE  A1298 (-4.9A)
 0.94A 3oxvA-2ynmA:
undetectable		 3oxvA-2ynmA:
16.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OXW_D_017D200_2
(HIV-1 PROTEASE)		 2ynm LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE
IRON-SULFUR
ATP-BINDING PROTEIN
LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT N
(Prochlorococcus
marinus) 		5 / 10 LEU A  87
ALA C  71
GLY A 126
VAL A  83
ILE A  84
 None
None
SF4  A1302 (-3.9A)
None
EPE  A1298 (-4.9A)
 0.97A 3oxwD-2ynmA:
undetectable		 3oxwD-2ynmA:
16.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OXX_C_DR7C100_1
(HIV-1 PROTEASE)		 2ynm LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE
IRON-SULFUR
ATP-BINDING PROTEIN
LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT N
(Prochlorococcus
marinus) 		5 / 12 LEU A  87
ALA C  71
GLY A 126
VAL A  83
ILE A  84
 None
None
SF4  A1302 (-3.9A)
None
EPE  A1298 (-4.9A)
 0.99A 3oxxC-2ynmA:
undetectable		 3oxxC-2ynmA:
16.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OXX_C_DR7C100_2
(HIV-1 PROTEASE)		 2ynm LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE
IRON-SULFUR
ATP-BINDING PROTEIN
LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT N
(Prochlorococcus
marinus) 		5 / 11 LEU A  87
ALA C  71
GLY A 125
VAL A  83
ILE A  84
 None
None
SF4  A1302 (-4.1A)
None
EPE  A1298 (-4.9A)
 0.99A 3oxxD-2ynmA:
undetectable		 3oxxD-2ynmA:
16.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OXX_C_DR7C100_2
(HIV-1 PROTEASE)		 2ynm LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE
IRON-SULFUR
ATP-BINDING PROTEIN
LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT N
(Prochlorococcus
marinus) 		5 / 11 LEU A  87
ALA C  71
GLY A 126
VAL A  83
ILE A  84
 None
None
SF4  A1302 (-3.9A)
None
EPE  A1298 (-4.9A)
 0.97A 3oxxD-2ynmA:
undetectable		 3oxxD-2ynmA:
16.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OY4_B_017B200_1
(HIV-1 PROTEASE)		 2ynm LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE
IRON-SULFUR
ATP-BINDING PROTEIN
LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT N
(Prochlorococcus
marinus) 		5 / 11 LEU A  87
ALA C  71
GLY A 126
VAL A  83
ILE A  84
 None
None
SF4  A1302 (-3.9A)
None
EPE  A1298 (-4.9A)
 0.92A 3oy4A-2ynmA:
undetectable		 3oy4A-2ynmA:
17.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OYA_A_RLTA398_1
(PFV INTEGRASE)		 4k6x DISULFIDE
OXIDOREDUCTASE
(Mycobacterium
tuberculosis) 		4 / 8 PRO A 215
PRO A  90
GLN A 162
GLU A 165
 None
EPE  A 301 (-3.5A)
None
None
 1.03A 3oyaA-4k6xA:
undetectable		 3oyaA-4k6xA:
18.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3PWM_B_017B402_1
(PROTEASE)		 2ynm LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE
IRON-SULFUR
ATP-BINDING PROTEIN
LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT N
(Prochlorococcus
marinus) 		5 / 12 LEU A  87
ALA C  71
GLY A 126
VAL A  83
ILE A  84
 None
None
SF4  A1302 (-3.9A)
None
EPE  A1298 (-4.9A)
 0.91A 3pwmA-2ynmA:
undetectable		 3pwmA-2ynmA:
17.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3PWR_A_ROCA401_1
(PROTEASE)		 2ynm LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE
IRON-SULFUR
ATP-BINDING PROTEIN
LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT N
(Prochlorococcus
marinus) 		5 / 12 LEU A  87
ALA C  71
GLY A 126
VAL A  83
ILE A  84
 None
None
SF4  A1302 (-3.9A)
None
EPE  A1298 (-4.9A)
 0.98A 3pwrA-2ynmA:
undetectable		 3pwrA-2ynmA:
17.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3PWR_A_ROCA401_3
(PROTEASE)		 2ynm LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE
IRON-SULFUR
ATP-BINDING PROTEIN
LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT N
(Prochlorococcus
marinus) 		5 / 12 LEU A  87
ALA C  71
GLY A 126
VAL A  83
ILE A  84
 None
None
SF4  A1302 (-3.9A)
None
EPE  A1298 (-4.9A)
 0.94A 3pwrB-2ynmA:
undetectable		 3pwrB-2ynmA:
17.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3Q07_A_WPPA300_1
(BETA-LACTAMASE)		 1n9b BETA-LACTAMASE SHV-2
(Klebsiella
pneumoniae) 		6 / 12 LYS A  73
SER A 130
ASN A 132
ASN A 170
LYS A 234
GLY A 236
 None
EPE  A 400 (-2.5A)
None
None
EPE  A 400 (-3.1A)
EPE  A 400 (-3.1A)
 0.54A 3q07A-1n9bA:
35.6		 3q07A-1n9bA:
39.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3Q07_A_WPPA300_1
(BETA-LACTAMASE)		 3lez BETA-LACTAMASE
(Oceanobacillus
iheyensis) 		6 / 12 LYS A  88
ASN A 145
ASN A 183
LYS A 247
GLY A 249
GLY A 251
 None
None
None
EPE  A 305 (-3.1A)
EPE  A 305 (-3.4A)
None
 0.36A 3q07A-3lezA:
41.7		 3q07A-3lezA:
43.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3Q07_A_WPPA300_1
(BETA-LACTAMASE)		 3lez BETA-LACTAMASE
(Oceanobacillus
iheyensis) 		6 / 12 SER A 143
ASN A 145
ASN A 183
LYS A 247
GLY A 249
GLY A 251
 EPE  A 305 (-2.5A)
None
None
EPE  A 305 (-3.1A)
EPE  A 305 (-3.4A)
None
 0.58A 3q07A-3lezA:
41.7		 3q07A-3lezA:
43.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3Q07_B_WPPB400_1
(BETA-LACTAMASE)		 1n9b BETA-LACTAMASE SHV-2
(Klebsiella
pneumoniae) 		6 / 12 LYS A  73
SER A 130
ASN A 132
ASN A 170
LYS A 234
GLY A 236
 None
EPE  A 400 (-2.5A)
None
None
EPE  A 400 (-3.1A)
EPE  A 400 (-3.1A)
 0.55A 3q07B-1n9bA:
35.8		 3q07B-1n9bA:
39.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3Q07_B_WPPB400_1
(BETA-LACTAMASE)		 3lez BETA-LACTAMASE
(Oceanobacillus
iheyensis) 		7 / 12 LYS A  88
SER A 143
ASN A 145
ASN A 183
LYS A 247
GLY A 249
GLY A 251
 None
EPE  A 305 (-2.5A)
None
None
EPE  A 305 (-3.1A)
EPE  A 305 (-3.4A)
None
 0.58A 3q07B-3lezA:
41.7		 3q07B-3lezA:
43.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3QEL_B_QELB1_1
(NMDA GLUTAMATE
RECEPTOR SUBUNIT
GLUTAMATE [NMDA]
RECEPTOR SUBUNIT
EPSILON-2)		 4nzy PROBABLE THYMIDYLATE
KINASE
(Sulfurisphaera
tokodaii) 		5 / 11 TYR A  35
ILE A  88
PHE A  87
THR A  97
GLU A  10
 EPE  A 301 (-4.2A)
None
None
EDO  A 310 ( 4.9A)
None
 1.30A 3qelA-4nzyA:
3.6
3qelB-4nzyA:
undetectable		 3qelA-4nzyA:
19.57
3qelB-4nzyA:
20.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3QXY_A_SAMA6734_0
(N-LYSINE
METHYLTRANSFERASE
SETD6)		 1evq SERINE HYDROLASE
(Alicyclobacillus
acidocaldarius) 		5 / 12 ALA A 156
GLY A 157
TYR A  80
ALA A 116
PHE A 214
 EPE  A 455 (-3.8A)
None
None
None
EPE  A 455 (-4.8A)
 1.11A 3qxyA-1evqA:
undetectable		 3qxyA-1evqA:
20.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3QXY_A_SAMA6734_0
(N-LYSINE
METHYLTRANSFERASE
SETD6)		 1jji CARBOXYLESTERASE
(Archaeoglobus
fulgidus) 		5 / 12 ALA A 161
GLY A 162
TYR A  85
ALA A 121
PHE A 218
 EPE  A 455 (-3.4A)
None
None
None
EPE  A 455 ( 4.9A)
 1.17A 3qxyA-1jjiA:
undetectable		 3qxyA-1jjiA:
20.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3QXY_B_SAMB6735_0
(N-LYSINE
METHYLTRANSFERASE
SETD6
TRANSCRIPTION FACTOR
P65)		 1evq SERINE HYDROLASE
(Alicyclobacillus
acidocaldarius) 		5 / 11 ALA A 156
GLY A 157
TYR A  80
ALA A 116
PHE A 214
 EPE  A 455 (-3.8A)
None
None
None
EPE  A 455 (-4.8A)
 1.13A 3qxyB-1evqA:
0.0
3qxyQ-1evqA:
undetectable		 3qxyB-1evqA:
20.44
3qxyQ-1evqA:
7.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3QXY_B_SAMB6735_0
(N-LYSINE
METHYLTRANSFERASE
SETD6
TRANSCRIPTION FACTOR
P65)		 1jji CARBOXYLESTERASE
(Archaeoglobus
fulgidus) 		5 / 11 ALA A 161
GLY A 162
TYR A  85
ALA A 121
PHE A 218
 EPE  A 455 (-3.4A)
None
None
None
EPE  A 455 ( 4.9A)
 1.19A 3qxyB-1jjiA:
0.0
3qxyQ-1jjiA:
undetectable		 3qxyB-1jjiA:
20.25
3qxyQ-1jjiA:
5.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3R2J_C_NIOC311_1
(ALPHA/BETA-HYDROLASE
-LIKE PROTEIN)		 5w1u CARBOXYLIC ESTER
HYDROLASE
(Culex
quinquefasciatus) 		5 / 12 PHE A 394
LEU A 327
HIS A 190
HIS A 442
PHE A 281
 MLI  A 601 ( 4.1A)
MLI  A 601 (-4.6A)
EPE  A 600 ( 4.5A)
EPE  A 600 ( 4.0A)
MLI  A 601 (-3.7A)
 1.45A 3r2jC-5w1uA:
undetectable		 3r2jC-5w1uA:
18.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3RC0_A_SAMA484_0
(N-LYSINE
METHYLTRANSFERASE
SETD6)		 1evq SERINE HYDROLASE
(Alicyclobacillus
acidocaldarius) 		5 / 11 ALA A 156
GLY A 157
TYR A  80
ALA A 116
PHE A 214
 EPE  A 455 (-3.8A)
None
None
None
EPE  A 455 (-4.8A)
 1.15A 3rc0A-1evqA:
undetectable		 3rc0A-1evqA:
20.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3RC0_A_SAMA484_0
(N-LYSINE
METHYLTRANSFERASE
SETD6)		 1jji CARBOXYLESTERASE
(Archaeoglobus
fulgidus) 		5 / 11 ALA A 161
GLY A 162
TYR A  85
ALA A 121
PHE A 218
 EPE  A 455 (-3.4A)
None
None
None
EPE  A 455 ( 4.9A)
 1.19A 3rc0A-1jjiA:
undetectable		 3rc0A-1jjiA:
20.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3RC0_B_SAMB480_0
(N-LYSINE
METHYLTRANSFERASE
SETD6)		 1evq SERINE HYDROLASE
(Alicyclobacillus
acidocaldarius) 		5 / 12 ALA A 156
GLY A 157
TYR A  80
ALA A 116
PHE A 214
 EPE  A 455 (-3.8A)
None
None
None
EPE  A 455 (-4.8A)
 1.14A 3rc0B-1evqA:
undetectable		 3rc0B-1evqA:
20.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3RC0_B_SAMB480_0
(N-LYSINE
METHYLTRANSFERASE
SETD6)		 1jji CARBOXYLESTERASE
(Archaeoglobus
fulgidus) 		5 / 12 ALA A 161
GLY A 162
TYR A  85
ALA A 121
PHE A 218
 EPE  A 455 (-3.4A)
None
None
None
EPE  A 455 ( 4.9A)
 1.19A 3rc0B-1jjiA:
undetectable		 3rc0B-1jjiA:
20.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3S79_A_ASDA601_1
(CYTOCHROME P450 19A1)		 4wzh DIHYDROOROTATE
DEHYDROGENASE
(Leishmania
braziliensis) 		5 / 12 PHE A  96
ILE A 246
ALA A 266
VAL A   5
LEU A   8
 None
None
None
None
EPE  A 402 (-4.7A)
 1.16A 3s79A-4wzhA:
undetectable		 3s79A-4wzhA:
21.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3SH8_A_CEDA1_1
(BETA-LACTAMASE)		 1n9b BETA-LACTAMASE SHV-2
(Klebsiella
pneumoniae) 		9 / 12 SER A  70
TYR A 105
SER A 130
ASN A 132
LYS A 234
THR A 235
GLY A 236
ALA A 237
ARG A 244
 EPE  A 400 (-3.7A)
EPE  A 400 (-3.6A)
EPE  A 400 (-2.5A)
None
EPE  A 400 (-3.1A)
EPE  A 400 (-3.8A)
EPE  A 400 (-3.1A)
EPE  A 400 (-4.0A)
MA4  A 310 ( 3.8A)
 0.68A 3sh8A-1n9bA:
33.3		 3sh8A-1n9bA:
37.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3SH8_A_CEDA1_1
(BETA-LACTAMASE)		 3lez BETA-LACTAMASE
(Oceanobacillus
iheyensis) 		9 / 12 SER A  85
TYR A 118
SER A 143
ASN A 145
LYS A 247
THR A 248
GLY A 249
ALA A 250
ARG A 256
 EPE  A 305 (-3.4A)
EPE  A 305 (-3.3A)
EPE  A 305 (-2.5A)
None
EPE  A 305 (-3.1A)
EPE  A 305 (-3.6A)
EPE  A 305 (-3.4A)
EPE  A 305 ( 4.1A)
EPE  A 305 (-3.7A)
 0.47A 3sh8A-3lezA:
42.5		 3sh8A-3lezA:
56.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3SH8_B_CEDB1_1
(BETA-LACTAMASE)		 1n9b BETA-LACTAMASE SHV-2
(Klebsiella
pneumoniae) 		7 / 12 SER A  70
LYS A  73
ASN A 132
LYS A 234
GLY A 236
ALA A 237
ARG A 244
 EPE  A 400 (-3.7A)
None
None
EPE  A 400 (-3.1A)
EPE  A 400 (-3.1A)
EPE  A 400 (-4.0A)
MA4  A 310 ( 3.8A)
 0.62A 3sh8B-1n9bA:
33.2		 3sh8B-1n9bA:
37.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3SH8_B_CEDB1_1
(BETA-LACTAMASE)		 1n9b BETA-LACTAMASE SHV-2
(Klebsiella
pneumoniae) 		7 / 12 SER A  70
SER A 130
ASN A 132
LYS A 234
GLY A 236
ALA A 237
ARG A 244
 EPE  A 400 (-3.7A)
EPE  A 400 (-2.5A)
None
EPE  A 400 (-3.1A)
EPE  A 400 (-3.1A)
EPE  A 400 (-4.0A)
MA4  A 310 ( 3.8A)
 0.70A 3sh8B-1n9bA:
33.2		 3sh8B-1n9bA:
37.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3SH8_B_CEDB1_1
(BETA-LACTAMASE)		 3lez BETA-LACTAMASE
(Oceanobacillus
iheyensis) 		8 / 12 SER A  85
LYS A  88
ASN A 145
LYS A 247
GLY A 249
ALA A 250
ARG A 256
TYR A 286
 EPE  A 305 (-3.4A)
None
None
EPE  A 305 (-3.1A)
EPE  A 305 (-3.4A)
EPE  A 305 ( 4.1A)
EPE  A 305 (-3.7A)
None
 0.32A 3sh8B-3lezA:
42.1		 3sh8B-3lezA:
56.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3SH8_B_CEDB1_1
(BETA-LACTAMASE)		 3lez BETA-LACTAMASE
(Oceanobacillus
iheyensis) 		8 / 12 SER A  85
SER A 143
ASN A 145
LYS A 247
GLY A 249
ALA A 250
ARG A 256
TYR A 286
 EPE  A 305 (-3.4A)
EPE  A 305 (-2.5A)
None
EPE  A 305 (-3.1A)
EPE  A 305 (-3.4A)
EPE  A 305 ( 4.1A)
EPE  A 305 (-3.7A)
None
 0.53A 3sh8B-3lezA:
42.1		 3sh8B-3lezA:
56.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SUE_A_SUEA1201_1
(NS3 PROTEASE, NS4A
PROTEIN)		 1evq SERINE HYDROLASE
(Alicyclobacillus
acidocaldarius) 		5 / 12 HIS A 282
ASP A 252
GLY A  82
SER A 155
ALA A 285
 EPE  A 455 (-4.0A)
None
EPE  A 455 (-3.5A)
EPE  A 455 (-1.4A)
None
 0.99A 3sueA-1evqA:
undetectable		 3sueA-1evqA:
19.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SUE_B_SUEB1201_1
(NS3 PROTEASE, NS4A
PROTEIN)		 1evq SERINE HYDROLASE
(Alicyclobacillus
acidocaldarius) 		5 / 12 HIS A 282
ASP A 252
GLY A  82
SER A 155
ALA A 285
 EPE  A 455 (-4.0A)
None
EPE  A 455 (-3.5A)
EPE  A 455 (-1.4A)
None
 0.96A 3sueB-1evqA:
undetectable		 3sueB-1evqA:
19.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SUE_C_SUEC1201_1
(NS3 PROTEASE, NS4A
PROTEIN)		 1evq SERINE HYDROLASE
(Alicyclobacillus
acidocaldarius) 		5 / 12 HIS A 282
ASP A 252
GLY A  82
SER A 155
ALA A 285
 EPE  A 455 (-4.0A)
None
EPE  A 455 (-3.5A)
EPE  A 455 (-1.4A)
None
 1.05A 3sueC-1evqA:
undetectable		 3sueC-1evqA:
19.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SUF_A_SUEA1201_1
(NS3 PROTEASE, NS4A
PROTEIN)		 1evq SERINE HYDROLASE
(Alicyclobacillus
acidocaldarius) 		5 / 12 HIS A 282
ASP A 252
GLY A  82
SER A 155
ALA A 285
 EPE  A 455 (-4.0A)
None
EPE  A 455 (-3.5A)
EPE  A 455 (-1.4A)
None
 1.01A 3sufA-1evqA:
undetectable		 3sufA-1evqA:
18.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SUF_B_SUEB1201_1
(NS3 PROTEASE, NS4A
PROTEIN)		 1evq SERINE HYDROLASE
(Alicyclobacillus
acidocaldarius) 		5 / 12 HIS A 282
ASP A 252
GLY A  82
SER A 155
ALA A 285
 EPE  A 455 (-4.0A)
None
EPE  A 455 (-3.5A)
EPE  A 455 (-1.4A)
None
 0.98A 3sufB-1evqA:
undetectable		 3sufB-1evqA:
18.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SUF_B_SUEB1201_3
(NS3 PROTEASE, NS4A
PROTEIN)		 2wjr PROBABLE
N-ACETYLNEURAMINIC
ACID OUTER MEMBRANE
CHANNEL PROTEIN NANC
(Escherichia
coli) 		4 / 5 SER A  93
ARG A  72
PRO A  73
VAL A  90
 EPE  A1217 ( 4.7A)
EPE  A1217 (-3.7A)
None
None
 1.31A 3sufC-2wjrA:
undetectable		 3sufC-2wjrA:
22.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SUF_C_SUEC1201_1
(NS3 PROTEASE, NS4A
PROTEIN)		 1evq SERINE HYDROLASE
(Alicyclobacillus
acidocaldarius) 		5 / 11 HIS A 282
ASP A 252
GLY A  82
SER A 155
ALA A 285
 EPE  A 455 (-4.0A)
None
EPE  A 455 (-3.5A)
EPE  A 455 (-1.4A)
None
 1.11A 3sufC-1evqA:
undetectable		 3sufC-1evqA:
18.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SXJ_A_SAMA258_0
(PUTATIVE
METHYLTRANSFERASE)		 5w1u CARBOXYLIC ESTER
HYDROLASE
(Culex
quinquefasciatus) 		5 / 12 GLY A 193
GLN A 164
SER A 217
MET A 216
TYR A 121
 None
None
None
None
EPE  A 600 (-4.2A)
 0.98A 3sxjA-5w1uA:
undetectable		 3sxjA-5w1uA:
18.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SXJ_B_SAMB258_0
(PUTATIVE
METHYLTRANSFERASE)		 5w1u CARBOXYLIC ESTER
HYDROLASE
(Culex
quinquefasciatus) 		5 / 12 GLY A 193
GLN A 164
SER A 217
MET A 216
TYR A 121
 None
None
None
None
EPE  A 600 (-4.2A)
 0.97A 3sxjB-5w1uA:
undetectable		 3sxjB-5w1uA:
18.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3T3S_C_9PLC1_1
(CYTOCHROME P450 2A13)		 1evq SERINE HYDROLASE
(Alicyclobacillus
acidocaldarius) 		4 / 7 PHE A 214
PHE A  30
ALA A  27
LEU A 115
 EPE  A 455 (-4.8A)
None
None
None
 1.11A 3t3sC-1evqA:
0.0		 3t3sC-1evqA:
21.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TKG_B_ROCB801_2
(PROTEASE)		 2ynm LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE
IRON-SULFUR
ATP-BINDING PROTEIN
LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT N
(Prochlorococcus
marinus) 		5 / 12 LEU A  87
ALA C  71
GLY A 126
VAL A  83
ILE A  84
 None
None
SF4  A1302 (-3.9A)
None
EPE  A1298 (-4.9A)
 0.99A 3tkgB-2ynmA:
undetectable		 3tkgB-2ynmA:
17.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UCJ_A_AZMA229_1
(CARBONIC ANHYDRASE)		 1g5c BETA-CARBONIC
ANHYDRASE
(Methanothermobac
ter
thermautotrophic
us) 		5 / 10 CYH A  32
ASP A  34
HIS A  87
CYH A  90
GLY A  91
 ZN  A1001 (-2.4A)
EPE  A2201 (-3.3A)
ZN  A1001 (-3.2A)
ZN  A1001 ( 2.3A)
None
 0.61A 3ucjA-1g5cA:
14.0		 3ucjA-1g5cA:
24.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UCJ_B_AZMB229_2
(CARBONIC ANHYDRASE)		 1g5c BETA-CARBONIC
ANHYDRASE
(Methanothermobac
ter
thermautotrophic
us) 		5 / 10 CYH A  32
ASP A  34
HIS A  87
CYH A  90
GLY A  91
 ZN  A1001 (-2.4A)
EPE  A2201 (-3.3A)
ZN  A1001 (-3.2A)
ZN  A1001 ( 2.3A)
None
 0.59A 3ucjB-1g5cA:
14.4		 3ucjB-1g5cA:
24.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3UPW_A_NCAA412_0
(OLD YELLOW ENZYME
2.6 (OYE2.6), NADPH
DEHYDROGENASE)		 4rnw NADPH DEHYDROGENASE
1
(Saccharomyces
pastorianus) 		5 / 9 THR A 136
HIS A 290
TYR A 295
PHE A 349
TYR A  75
 FMN  A 401 (-3.7A)
FMN  A 401 ( 3.5A)
EPE  A 402 (-4.4A)
EDO  A 403 ( 3.9A)
EPE  A 402 ( 3.7A)
 0.37A 3upwA-4rnwA:
37.2		 3upwA-4rnwA:
34.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3V35_A_NTIA317_1
(ALDOSE REDUCTASE)		 5ver KYNURENINE--OXOGLUTA
RATE TRANSAMINASE 3
(Mus
musculus) 		4 / 8 VAL A  53
TRP A  54
PHE A 416
PRO A 393
 None
EPE  A 702 (-3.8A)
None
None
 1.47A 3v35A-5verA:
undetectable		 3v35A-5verA:
21.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3V4T_H_ACTH502_0
(UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE)		 5zry ANKYRIN REPEAT AND
SAM
DOMAIN-CONTAINING
PROTEIN 1A,EPHRIN
TYPE-A RECEPTOR 6
(Mus
musculus) 		3 / 3 SER A 114
GLY A 113
GLN A 111
 None
EPE  A 206 ( 3.7A)
None
 0.34A 3v4tH-5zryA:
undetectable		 3v4tH-5zryA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3V4T_H_ACTH502_0
(UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE)		 5zry ANKYRIN REPEAT AND
SAM
DOMAIN-CONTAINING
PROTEIN 1A,EPHRIN
TYPE-A RECEPTOR 6
(Mus
musculus) 		3 / 3 SER A 115
GLY A 116
GLN A 111
 None
EPE  A 206 (-3.8A)
None
 0.51A 3v4tH-5zryA:
undetectable		 3v4tH-5zryA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3VW7_A_VPXA2001_2
(PROTEINASE-ACTIVATED
RECEPTOR 1, LYSOZYME)		 2eyq TRANSCRIPTION-REPAIR
COUPLING FACTOR
(Escherichia
coli) 		4 / 4 PRO A 467
LEU A 945
HIS A 897
LEU A 896
 None
None
EPE  A1151 (-4.2A)
None
 1.22A 3vw7A-2eyqA:
0.4		 3vw7A-2eyqA:
16.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3VWQ_A_ACAA601_1
(6-AMINOHEXANOATE-DIM
ER HYDROLASE)		 1jji CARBOXYLESTERASE
(Archaeoglobus
fulgidus) 		5 / 12 ALA A 161
TYR A  40
TYR A 118
PHE A 218
GLY A 162
 EPE  A 455 (-3.4A)
None
None
EPE  A 455 ( 4.9A)
None
 1.13A 3vwqA-1jjiA:
0.0		 3vwqA-1jjiA:
20.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3VYW_B_SAMB401_0
(MNMC2)		 1evq SERINE HYDROLASE
(Alicyclobacillus
acidocaldarius) 		5 / 12 HIS A 282
GLY A  84
GLY A  82
TYR A 183
ALA A 116
 EPE  A 455 (-4.0A)
EPE  A 455 (-3.3A)
EPE  A 455 (-3.5A)
None
None
 1.12A 3vywB-1evqA:
undetectable		 3vywB-1evqA:
21.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3VYW_B_SAMB401_0
(MNMC2)		 1jji CARBOXYLESTERASE
(Archaeoglobus
fulgidus) 		5 / 12 HIS A 285
GLY A  89
GLY A  87
TYR A 188
ALA A 121
 EPE  A 455 (-4.6A)
EPE  A 455 (-3.4A)
EPE  A 455 ( 4.0A)
None
None
 1.17A 3vywB-1jjiA:
undetectable		 3vywB-1jjiA:
21.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3VYW_D_SAMD401_0
(MNMC2)		 1evq SERINE HYDROLASE
(Alicyclobacillus
acidocaldarius) 		5 / 12 HIS A 282
GLY A  84
GLY A  82
TYR A 183
ALA A 116
 EPE  A 455 (-4.0A)
EPE  A 455 (-3.3A)
EPE  A 455 (-3.5A)
None
None
 1.10A 3vywD-1evqA:
undetectable		 3vywD-1evqA:
21.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3VYW_D_SAMD401_0
(MNMC2)		 1jji CARBOXYLESTERASE
(Archaeoglobus
fulgidus) 		5 / 12 HIS A 285
GLY A  89
GLY A  87
TYR A 188
ALA A 121
 EPE  A 455 (-4.6A)
EPE  A 455 (-3.4A)
EPE  A 455 ( 4.0A)
None
None
 1.14A 3vywD-1jjiA:
undetectable		 3vywD-1jjiA:
21.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3W9T_A_W9TA1004_1
(HEMOLYTIC LECTIN
CEL-III)		 5w1u CARBOXYLIC ESTER
HYDROLASE
(Culex
quinquefasciatus) 		4 / 5 ASP A  72
GLU A 113
GLY A 114
GLU A 119
 None
EPE  A 600 ( 4.9A)
None
None
 1.16A 3w9tA-5w1uA:
undetectable		 3w9tA-5w1uA:
21.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3W9T_B_W9TB502_1
(HEMOLYTIC LECTIN
CEL-III)		 5w1u CARBOXYLIC ESTER
HYDROLASE
(Culex
quinquefasciatus) 		4 / 6 ASP A  72
GLU A 113
GLY A 114
GLU A 119
 None
EPE  A 600 ( 4.9A)
None
None
 1.16A 3w9tB-5w1uA:
undetectable		 3w9tB-5w1uA:
21.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3W9T_C_W9TC1002_1
(HEMOLYTIC LECTIN
CEL-III)		 5w1u CARBOXYLIC ESTER
HYDROLASE
(Culex
quinquefasciatus) 		4 / 5 ASP A  72
GLU A 113
GLY A 114
GLU A 119
 None
EPE  A 600 ( 4.9A)
None
None
 1.16A 3w9tC-5w1uA:
undetectable		 3w9tC-5w1uA:
21.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3W9T_D_W9TD512_1
(HEMOLYTIC LECTIN
CEL-III)		 5w1u CARBOXYLIC ESTER
HYDROLASE
(Culex
quinquefasciatus) 		4 / 5 ASP A  72
GLU A 113
GLY A 114
GLU A 119
 None
EPE  A 600 ( 4.9A)
None
None
 1.16A 3w9tD-5w1uA:
undetectable		 3w9tD-5w1uA:
21.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3W9T_E_W9TE502_1
(HEMOLYTIC LECTIN
CEL-III)		 5w1u CARBOXYLIC ESTER
HYDROLASE
(Culex
quinquefasciatus) 		4 / 6 ASP A  72
GLU A 113
GLY A 114
GLU A 119
 None
EPE  A 600 ( 4.9A)
None
None
 1.16A 3w9tE-5w1uA:
undetectable		 3w9tE-5w1uA:
21.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3W9T_G_W9TG502_1
(HEMOLYTIC LECTIN
CEL-III)		 5w1u CARBOXYLIC ESTER
HYDROLASE
(Culex
quinquefasciatus) 		4 / 5 ASP A  72
GLU A 113
GLY A 114
GLU A 119
 None
EPE  A 600 ( 4.9A)
None
None
 1.15A 3w9tG-5w1uA:
undetectable		 3w9tG-5w1uA:
21.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3WFA_B_EDTB802_0
(ALPHA-GLUCOSIDASE)		 4rnw NADPH DEHYDROGENASE
1
(Saccharomyces
pastorianus) 		4 / 6 TYR A  75
ARG A 139
ASP A  70
TYR A  82
 EPE  A 402 ( 3.7A)
None
None
None
 1.23A 3wfaA-4rnwA:
2.2
3wfaB-4rnwA:
7.4		 3wfaA-4rnwA:
20.25
3wfaB-4rnwA:
20.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3WG7_C_CHDC306_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3ec7 PUTATIVE
DEHYDROGENASE
(Salmonella
enterica) 		4 / 8 HIS A 176
ASP A 277
TYR A 129
HIS A 155
 EPE  A 401 (-4.0A)
None
None
EPE  A 401 (-4.4A)
 1.12A 3wg7A-3ec7A:
undetectable
3wg7C-3ec7A:
undetectable
3wg7P-3ec7A:
undetectable		 3wg7A-3ec7A:
20.73
3wg7C-3ec7A:
19.29
3wg7P-3ec7A:
19.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3WG7_P_CHDP307_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3ec7 PUTATIVE
DEHYDROGENASE
(Salmonella
enterica) 		4 / 8 HIS A 176
ASP A 277
TYR A 129
HIS A 155
 EPE  A 401 (-4.0A)
None
None
EPE  A 401 (-4.4A)
 1.09A 3wg7C-3ec7A:
undetectable
3wg7N-3ec7A:
undetectable
3wg7P-3ec7A:
undetectable		 3wg7C-3ec7A:
19.29
3wg7N-3ec7A:
20.73
3wg7P-3ec7A:
19.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3WIP_G_ACTG306_0
(ACETYLCHOLINE-BINDIN
G PROTEIN)		 1h0h FORMATE
DEHYDROGENASE
SUBUNIT BETA
(Desulfovibrio
gigas) 		3 / 3 ARG B  53
ARG B  73
ASP B 123
 None
None
EPE  A1200 (-2.9A)
 0.99A 3wipG-1h0hB:
0.0
3wipH-1h0hB:
0.0		 3wipG-1h0hB:
22.44
3wipH-1h0hB:
22.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3X2Q_C_CHDC305_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3ec7 PUTATIVE
DEHYDROGENASE
(Salmonella
enterica) 		4 / 8 HIS A 176
ASP A 277
TYR A 129
HIS A 155
 EPE  A 401 (-4.0A)
None
None
EPE  A 401 (-4.4A)
 1.11A 3x2qA-3ec7A:
undetectable
3x2qC-3ec7A:
undetectable
3x2qP-3ec7A:
undetectable		 3x2qA-3ec7A:
20.73
3x2qC-3ec7A:
19.29
3x2qP-3ec7A:
19.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3X2Q_P_CHDP308_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3ec7 PUTATIVE
DEHYDROGENASE
(Salmonella
enterica) 		4 / 8 HIS A 176
ASP A 277
TYR A 129
HIS A 155
 EPE  A 401 (-4.0A)
None
None
EPE  A 401 (-4.4A)
 1.11A 3x2qC-3ec7A:
undetectable
3x2qN-3ec7A:
undetectable
3x2qP-3ec7A:
undetectable		 3x2qC-3ec7A:
19.29
3x2qN-3ec7A:
20.73
3x2qP-3ec7A:
19.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ZJQ_B_NCAB300_0
(PROTOGLOBIN)		 5xj1 UNCHARACTERIZED RNA
METHYLTRANSFERASE
SP_1029
(Streptococcus
pneumoniae) 		4 / 7 TYR A 312
VAL A 332
PHE A 391
ILE A 378
 EPE  A 504 (-4.7A)
None
None
None
 0.95A 3zjqB-5xj1A:
undetectable		 3zjqB-5xj1A:
18.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ZOF_A_HQEA200_1
(FLAVOREDOXIN)		 4y0e PUTATIVE DIOXYGENASE
(Mycobacteroides
abscessus) 		4 / 5 TYR A 303
VAL A 107
ARG A 198
HIS A 194
 None
EPE  A 403 (-4.2A)
None
None
 1.36A 3zofA-4y0eA:
0.0		 3zofA-4y0eA:
17.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4A3U_A_NCAA1359_0
(NADH:FLAVIN
OXIDOREDUCTASE/NADH
OXIDASE)		 4rnw NADPH DEHYDROGENASE
1
(Saccharomyces
pastorianus) 		6 / 7 THR A 136
TRP A 215
HIS A 290
ASN A 293
TYR A 295
TYR A  75
 FMN  A 401 (-3.7A)
None
FMN  A 401 ( 3.5A)
EDO  A 403 ( 3.7A)
EPE  A 402 (-4.4A)
EPE  A 402 ( 3.7A)
 0.27A 4a3uA-4rnwA:
31.4		 4a3uA-4rnwA:
24.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4A3U_B_NCAB1359_0
(NADH:FLAVIN
OXIDOREDUCTASE/NADH
OXIDASE)		 4rnw NADPH DEHYDROGENASE
1
(Saccharomyces
pastorianus) 		6 / 7 THR A 136
TRP A 215
HIS A 290
ASN A 293
TYR A 295
TYR A  75
 FMN  A 401 (-3.7A)
None
FMN  A 401 ( 3.5A)
EDO  A 403 ( 3.7A)
EPE  A 402 (-4.4A)
EPE  A 402 ( 3.7A)
 0.26A 4a3uB-4rnwA:
31.4		 4a3uB-4rnwA:
24.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4A6N_A_T1CA392_1
(TETX2 PROTEIN)		 3w5f BETA-GALACTOSIDASE
(Solanum
lycopersicum) 		5 / 11 GLY A 303
PRO A 519
ALA A 496
GLY A 497
ASN A 556
 None
None
EPE  A 805 ( 4.4A)
None
EPE  A 805 (-3.4A)
 1.21A 4a6nA-3w5fA:
undetectable		 4a6nA-3w5fA:
20.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4APJ_A_ACTA1635_0
(ANGIOTENSIN-CONVERTI
NG ENZYME
BRADYKININ-POTENTIAT
ING PEPTIDE B)		 1tvp CELLULASE
(Pseudoalteromona
s
haloplanktis) 		4 / 6 HIS A 194
GLU A 222
ASP A  98
SER A  25
 None
EPE  A 700 (-3.5A)
None
None
 1.10A 4apjA-1tvpA:
undetectable
4apjP-1tvpA:
undetectable		 4apjA-1tvpA:
20.47
4apjP-1tvpA:
8.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4APJ_A_ACTA1635_0
(ANGIOTENSIN-CONVERTI
NG ENZYME
BRADYKININ-POTENTIAT
ING PEPTIDE B)		 4xzw ENDO-GLUCANASE
CHIMERA C10
(uncultured
bacterium;
Geobacillus
sp.
70PC53) 		4 / 6 HIS A 202
GLU A 230
ASP A 102
SER A  33
 None
EPE  A 404 (-4.3A)
None
None
 1.06A 4apjA-4xzwA:
undetectable
4apjP-4xzwA:
undetectable		 4apjA-4xzwA:
20.20
4apjP-4xzwA:
4.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AQL_A_TXCA1452_2
(GUANINE DEAMINASE)		 5b5k IZUMO SPERM-EGG
FUSION PROTEIN 1
(Mus
musculus) 		4 / 5 HIS A  44
LEU A  33
LEU A  91
ASP A  31
 None
None
EPE  A 302 ( 2.4A)
None
 1.08A 4aqlA-5b5kA:
undetectable		 4aqlA-5b5kA:
20.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ARC_A_LEUA1001_0
(LEUCINE--TRNA LIGASE)		 5w1u CARBOXYLIC ESTER
HYDROLASE
(Culex
quinquefasciatus) 		4 / 7 LEU A 120
TYR A 428
TYR A 105
HIS A 190
 EPE  A 600 ( 3.2A)
EPE  A 600 (-3.3A)
None
EPE  A 600 ( 4.5A)
 1.15A 4arcA-5w1uA:
undetectable		 4arcA-5w1uA:
20.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AWU_A_4CHA502_0
(OXIDOREDUCTASE,
FMN-BINDING)		 4rnw NADPH DEHYDROGENASE
1
(Saccharomyces
pastorianus) 		5 / 7 THR A 136
TRP A 215
HIS A 290
ASN A 293
TYR A 295
 FMN  A 401 (-3.7A)
None
FMN  A 401 ( 3.5A)
EDO  A 403 ( 3.7A)
EPE  A 402 (-4.4A)
 0.22A 4awuA-4rnwA:
8.0		 4awuA-4rnwA:
27.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4D7B_A_TCWA1126_1
(TRANSTHYRETIN)		 2eyq TRANSCRIPTION-REPAIR
COUPLING FACTOR
(Escherichia
coli) 		4 / 6 LEU A 939
ALA A 910
LEU A 784
SER A 906
 EPE  A1151 (-4.0A)
None
None
EPE  A1152 (-2.8A)
 1.05A 4d7bB-2eyqA:
undetectable		 4d7bB-2eyqA:
7.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4DF2_A_4CHA506_0
(NADPH DEHYDROGENASE)		 4rnw NADPH DEHYDROGENASE
1
(Saccharomyces
pastorianus) 		4 / 6 THR A 136
HIS A 290
TYR A 295
TYR A  75
 FMN  A 401 (-3.7A)
FMN  A 401 ( 3.5A)
EPE  A 402 (-4.4A)
EPE  A 402 ( 3.7A)
 0.19A 4df2A-4rnwA:
37.1		 4df2A-4rnwA:
34.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4DF2_A_4CHA506_0
(NADPH DEHYDROGENASE)		 4rnw NADPH DEHYDROGENASE
1
(Saccharomyces
pastorianus) 		4 / 6 TYR A 181
HIS A 290
TYR A 295
TYR A  75
 EPE  A 402 ( 3.8A)
FMN  A 401 ( 3.5A)
EPE  A 402 (-4.4A)
EPE  A 402 ( 3.7A)
 0.86A 4df2A-4rnwA:
37.1		 4df2A-4rnwA:
34.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4DQB_B_017B101_1
(ASPARTYL PROTEASE)		 2ynm LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE
IRON-SULFUR
ATP-BINDING PROTEIN
LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT N
(Prochlorococcus
marinus) 		5 / 12 LEU A  87
ALA C  71
GLY A 126
VAL A  83
ILE A  84
 None
None
SF4  A1302 (-3.9A)
None
EPE  A1298 (-4.9A)
 0.92A 4dqbA-2ynmA:
undetectable		 4dqbA-2ynmA:
18.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4DQE_B_017B101_1
(ASPARTYL PROTEASE)		 2ynm LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE
IRON-SULFUR
ATP-BINDING PROTEIN
LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT N
(Prochlorococcus
marinus) 		5 / 11 LEU A  87
ALA C  71
GLY A 126
VAL A  83
ILE A  84
 None
None
SF4  A1302 (-3.9A)
None
EPE  A1298 (-4.9A)
 0.90A 4dqeA-2ynmA:
undetectable		 4dqeA-2ynmA:
16.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4DQF_B_017B101_1
(ASPARTYL PROTEASE)		 2ynm LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE
IRON-SULFUR
ATP-BINDING PROTEIN
LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT N
(Prochlorococcus
marinus) 		5 / 12 LEU A  87
ALA C  71
GLY A 126
VAL A  83
ILE A  84
 None
None
SF4  A1302 (-3.9A)
None
EPE  A1298 (-4.9A)
 0.87A 4dqfA-2ynmA:
undetectable		 4dqfA-2ynmA:
17.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4DQH_B_017B101_1
(WILD-TYPE HIV-1
PROTEASE DIMER)		 2ynm LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE
IRON-SULFUR
ATP-BINDING PROTEIN
LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT N
(Prochlorococcus
marinus) 		5 / 11 LEU A  87
ALA C  71
GLY A 126
VAL A  83
ILE A  84
 None
None
SF4  A1302 (-3.9A)
None
EPE  A1298 (-4.9A)
 0.90A 4dqhA-2ynmA:
undetectable		 4dqhA-2ynmA:
16.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4DVO_A_SORA404_0
(XYLOSE ISOMERASE)		 1o4z BETA-AGARASE B
(Zobellia
galactanivorans) 		5 / 12 MET A 144
THR A 115
ASN A 306
GLU A 189
ASP A 173
 None
None
None
EPE  A2002 (-3.0A)
EPE  A2002 (-3.5A)
 1.40A 4dvoA-1o4zA:
undetectable		 4dvoA-1o4zA:
21.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EQ4_A_SALA601_1
(4-SUBSTITUTED
BENZOATES-GLUTAMATE
LIGASE GH3.12)		 3qqi HEMAGGLUTININ
(Influenza
A
virus) 		4 / 7 LEU A 194
TYR A 195
ILE A 252
GLY A 134
 None
None
None
EPE  A3380 (-3.4A)
 0.77A 4eq4A-3qqiA:
undetectable		 4eq4A-3qqiA:
16.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EQL_A_SALA602_1
(4-SUBSTITUTED
BENZOATES-GLUTAMATE
LIGASE GH3.12)		 3qqi HEMAGGLUTININ
(Influenza
A
virus) 		4 / 7 LEU A 194
TYR A 195
ILE A 252
GLY A 134
 None
None
None
EPE  A3380 (-3.4A)
 0.78A 4eqlA-3qqiA:
undetectable		 4eqlA-3qqiA:
16.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EQL_B_SALB602_1
(4-SUBSTITUTED
BENZOATES-GLUTAMATE
LIGASE GH3.12)		 3qqi HEMAGGLUTININ
(Influenza
A
virus) 		4 / 7 LEU A 194
TYR A 195
ILE A 252
GLY A 134
 None
None
None
EPE  A3380 (-3.4A)
 0.78A 4eqlB-3qqiA:
undetectable		 4eqlB-3qqiA:
16.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4EUZ_A_MEMA401_1
(CARBAPENEM-HYDROLIZI
NG BETA-LACTAMASE
SFC-1)		 1n9b BETA-LACTAMASE SHV-2
(Klebsiella
pneumoniae) 		7 / 12 LYS A  73
SER A 130
ASN A 132
ASN A 170
LYS A 234
THR A 235
GLY A 236
 None
EPE  A 400 (-2.5A)
None
None
EPE  A 400 (-3.1A)
EPE  A 400 (-3.8A)
EPE  A 400 (-3.1A)
 0.64A 4euzA-1n9bA:
35.2		 4euzA-1n9bA:
37.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4EUZ_A_MEMA401_1
(CARBAPENEM-HYDROLIZI
NG BETA-LACTAMASE
SFC-1)		 3lez BETA-LACTAMASE
(Oceanobacillus
iheyensis) 		7 / 12 LYS A  88
ASN A 145
ASN A 183
THR A 229
LYS A 247
THR A 248
GLY A 249
 None
None
None
EPE  A 305 ( 3.9A)
EPE  A 305 (-3.1A)
EPE  A 305 (-3.6A)
EPE  A 305 (-3.4A)
 0.38A 4euzA-3lezA:
40.5		 4euzA-3lezA:
43.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4EUZ_A_MEMA401_1
(CARBAPENEM-HYDROLIZI
NG BETA-LACTAMASE
SFC-1)		 3lez BETA-LACTAMASE
(Oceanobacillus
iheyensis) 		6 / 12 SER A 143
ASN A 145
THR A 229
LYS A 247
THR A 248
GLY A 249
 EPE  A 305 (-2.5A)
None
EPE  A 305 ( 3.9A)
EPE  A 305 (-3.1A)
EPE  A 305 (-3.6A)
EPE  A 305 (-3.4A)
 0.66A 4euzA-3lezA:
40.5		 4euzA-3lezA:
43.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EY6_A_GNTA604_1
(ACETYLCHOLINESTERASE)		 1evq SERINE HYDROLASE
(Alicyclobacillus
acidocaldarius) 		6 / 12 GLY A  82
GLY A  83
GLY A  84
SER A 155
PHE A 214
HIS A 282
 EPE  A 455 (-3.5A)
EPE  A 455 (-3.3A)
EPE  A 455 (-3.3A)
EPE  A 455 (-1.4A)
EPE  A 455 (-4.8A)
EPE  A 455 (-4.0A)
 0.89A 4ey6A-1evqA:
5.9		 4ey6A-1evqA:
22.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EY6_A_GNTA604_1
(ACETYLCHOLINESTERASE)		 1jji CARBOXYLESTERASE
(Archaeoglobus
fulgidus) 		6 / 12 GLY A  87
GLY A  88
GLY A  89
SER A 160
PHE A 218
HIS A 285
 EPE  A 455 ( 4.0A)
EPE  A 455 (-3.7A)
EPE  A 455 (-3.4A)
EPE  A 455 (-1.6A)
EPE  A 455 ( 4.9A)
EPE  A 455 (-4.6A)
 1.01A 4ey6A-1jjiA:
19.0		 4ey6A-1jjiA:
21.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4EY6_A_GNTA604_1
(ACETYLCHOLINESTERASE)		 5w1u CARBOXYLIC ESTER
HYDROLASE
(Culex
quinquefasciatus) 		6 / 12 GLY A 108
GLY A 109
GLY A 110
SER A 191
PHE A 281
HIS A 442
 EPE  A 600 ( 3.9A)
EPE  A 600 (-3.0A)
EPE  A 600 ( 4.4A)
MLI  A 601 ( 3.8A)
MLI  A 601 (-3.7A)
EPE  A 600 ( 4.0A)
 0.79A 4ey6A-5w1uA:
41.0		 4ey6A-5w1uA:
30.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4EY6_A_GNTA604_1
(ACETYLCHOLINESTERASE)		 5w1u CARBOXYLIC ESTER
HYDROLASE
(Culex
quinquefasciatus) 		6 / 12 GLY A 108
GLY A 109
GLY A 110
SER A 191
TYR A 428
HIS A 442
 EPE  A 600 ( 3.9A)
EPE  A 600 (-3.0A)
EPE  A 600 ( 4.4A)
MLI  A 601 ( 3.8A)
EPE  A 600 (-3.3A)
EPE  A 600 ( 4.0A)
 1.00A 4ey6A-5w1uA:
41.0		 4ey6A-5w1uA:
30.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EY6_B_GNTB605_1
(ACETYLCHOLINESTERASE)		 1evq SERINE HYDROLASE
(Alicyclobacillus
acidocaldarius) 		6 / 12 GLY A  82
GLY A  83
GLY A  84
SER A 155
PHE A 214
HIS A 282
 EPE  A 455 (-3.5A)
EPE  A 455 (-3.3A)
EPE  A 455 (-3.3A)
EPE  A 455 (-1.4A)
EPE  A 455 (-4.8A)
EPE  A 455 (-4.0A)
 0.88A 4ey6B-1evqA:
17.5		 4ey6B-1evqA:
22.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EY6_B_GNTB605_1
(ACETYLCHOLINESTERASE)		 1jji CARBOXYLESTERASE
(Archaeoglobus
fulgidus) 		6 / 12 GLY A  87
GLY A  88
GLY A  89
SER A 160
PHE A 218
HIS A 285
 EPE  A 455 ( 4.0A)
EPE  A 455 (-3.7A)
EPE  A 455 (-3.4A)
EPE  A 455 (-1.6A)
EPE  A 455 ( 4.9A)
EPE  A 455 (-4.6A)
 1.00A 4ey6B-1jjiA:
18.0		 4ey6B-1jjiA:
21.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4EY6_B_GNTB605_1
(ACETYLCHOLINESTERASE)		 5w1u CARBOXYLIC ESTER
HYDROLASE
(Culex
quinquefasciatus) 		6 / 12 GLY A 108
GLY A 109
GLY A 110
SER A 191
PHE A 281
HIS A 442
 EPE  A 600 ( 3.9A)
EPE  A 600 (-3.0A)
EPE  A 600 ( 4.4A)
MLI  A 601 ( 3.8A)
MLI  A 601 (-3.7A)
EPE  A 600 ( 4.0A)
 0.80A 4ey6B-5w1uA:
40.7		 4ey6B-5w1uA:
30.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4EY6_B_GNTB605_1
(ACETYLCHOLINESTERASE)		 5w1u CARBOXYLIC ESTER
HYDROLASE
(Culex
quinquefasciatus) 		6 / 12 GLY A 108
GLY A 109
GLY A 110
SER A 191
TYR A 428
HIS A 442
 EPE  A 600 ( 3.9A)
EPE  A 600 (-3.0A)
EPE  A 600 ( 4.4A)
MLI  A 601 ( 3.8A)
EPE  A 600 (-3.3A)
EPE  A 600 ( 4.0A)
 1.02A 4ey6B-5w1uA:
40.7		 4ey6B-5w1uA:
30.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EY7_A_E20A604_1
(ACETYLCHOLINESTERASE)		 1evq SERINE HYDROLASE
(Alicyclobacillus
acidocaldarius) 		5 / 11 GLY A  83
SER A 155
TRP A 213
HIS A 282
GLY A 283
 EPE  A 455 (-3.3A)
EPE  A 455 (-1.4A)
None
EPE  A 455 (-4.0A)
None
 1.37A 4ey7A-1evqA:
18.2		 4ey7A-1evqA:
22.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EY7_A_E20A604_1
(ACETYLCHOLINESTERASE)		 1jji CARBOXYLESTERASE
(Archaeoglobus
fulgidus) 		5 / 11 GLY A  88
SER A 160
TRP A 217
HIS A 285
GLY A 286
 EPE  A 455 (-3.7A)
EPE  A 455 (-1.6A)
None
EPE  A 455 (-4.6A)
None
 1.34A 4ey7A-1jjiA:
19.0		 4ey7A-1jjiA:
21.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EY7_B_E20B605_1
(ACETYLCHOLINESTERASE)		 1evq SERINE HYDROLASE
(Alicyclobacillus
acidocaldarius) 		5 / 11 GLY A  83
SER A 155
TRP A 213
HIS A 282
GLY A 283
 EPE  A 455 (-3.3A)
EPE  A 455 (-1.4A)
None
EPE  A 455 (-4.0A)
None
 1.39A 4ey7B-1evqA:
18.2		 4ey7B-1evqA:
22.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EY7_B_E20B605_1
(ACETYLCHOLINESTERASE)		 1jji CARBOXYLESTERASE
(Archaeoglobus
fulgidus) 		5 / 11 GLY A  88
SER A 160
TRP A 217
HIS A 285
GLY A 286
 EPE  A 455 (-3.7A)
EPE  A 455 (-1.6A)
None
EPE  A 455 (-4.6A)
None
 1.35A 4ey7B-1jjiA:
18.8		 4ey7B-1jjiA:
21.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4F8Y_B_VK3B202_1
(NADPH QUINONE
OXIDOREDUCTASE)		 3mx3 SUSD HOMOLOG
(Bacteroides
fragilis) 		4 / 6 TRP A 470
ASN A 460
TYR A 440
LEU A  64
 EPE  A 602 ( 3.8A)
None
None
None
 1.14A 4f8yA-3mx3A:
undetectable
4f8yB-3mx3A:
undetectable		 4f8yA-3mx3A:
18.26
4f8yB-3mx3A:
18.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FEU_F_KANF301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 3wiw GLYCOSYL HYDROLASE
FAMILY 88
(Pedobacter
heparinus) 		4 / 8 ASP A  72
ASP A 174
GLU A 369
ASP A 116
 None
EPE  A 501 (-3.9A)
None
EPE  A 501 (-2.8A)
 1.20A 4feuF-3wiwA:
undetectable		 4feuF-3wiwA:
21.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FEV_D_KAND301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 3wiw GLYCOSYL HYDROLASE
FAMILY 88
(Pedobacter
heparinus) 		4 / 7 ASP A  72
ASP A 174
GLU A 369
ASP A 116
 None
EPE  A 501 (-3.9A)
None
EPE  A 501 (-2.8A)
 1.19A 4fevD-3wiwA:
undetectable		 4fevD-3wiwA:
21.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FEV_F_KANF301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 3wiw GLYCOSYL HYDROLASE
FAMILY 88
(Pedobacter
heparinus) 		4 / 7 ASP A  72
ASP A 174
GLU A 369
ASP A 116
 None
EPE  A 501 (-3.9A)
None
EPE  A 501 (-2.8A)
 1.20A 4fevF-3wiwA:
undetectable		 4fevF-3wiwA:
21.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FEW_D_KAND301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 3wiw GLYCOSYL HYDROLASE
FAMILY 88
(Pedobacter
heparinus) 		4 / 8 ASP A  72
ASP A 174
GLU A 369
ASP A 116
 None
EPE  A 501 (-3.9A)
None
EPE  A 501 (-2.8A)
 1.21A 4fewD-3wiwA:
undetectable		 4fewD-3wiwA:
21.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FEX_B_KANB301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 3wiw GLYCOSYL HYDROLASE
FAMILY 88
(Pedobacter
heparinus) 		4 / 7 ASP A  72
ASP A 174
GLU A 369
ASP A 116
 None
EPE  A 501 (-3.9A)
None
EPE  A 501 (-2.8A)
 1.21A 4fexB-3wiwA:
undetectable		 4fexB-3wiwA:
21.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FH2_A_0RNA303_1
(BETA-LACTAMASE SHV-1)		 1n9b BETA-LACTAMASE SHV-2
(Klebsiella
pneumoniae) 		9 / 10 TYR A 105
SER A 130
ASN A 132
VAL A 216
LYS A 234
THR A 235
GLY A 236
ALA A 237
ARG A 244
 EPE  A 400 (-3.6A)
EPE  A 400 (-2.5A)
None
EPE  A 400 (-4.6A)
EPE  A 400 (-3.1A)
EPE  A 400 (-3.8A)
EPE  A 400 (-3.1A)
EPE  A 400 (-4.0A)
MA4  A 310 ( 3.8A)
 0.41A 4fh2A-1n9bA:
48.4		 4fh2A-1n9bA:
99.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FH2_A_0RNA303_1
(BETA-LACTAMASE SHV-1)		 3lez BETA-LACTAMASE
(Oceanobacillus
iheyensis) 		8 / 10 TYR A 118
SER A 143
ASN A 145
LYS A 247
THR A 248
GLY A 249
ALA A 250
ARG A 256
 EPE  A 305 (-3.3A)
EPE  A 305 (-2.5A)
None
EPE  A 305 (-3.1A)
EPE  A 305 (-3.6A)
EPE  A 305 (-3.4A)
EPE  A 305 ( 4.1A)
EPE  A 305 (-3.7A)
 0.36A 4fh2A-3lezA:
35.1		 4fh2A-3lezA:
40.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4G10_A_ACTA301_0
(GLUTATHIONE
S-TRANSFERASE
HOMOLOG)		 5ver KYNURENINE--OXOGLUTA
RATE TRANSAMINASE 3
(Mus
musculus) 		4 / 6 PRO A  74
TYR A 372
TYR A 250
PHE A 373
 None
None
PLP  A 701 (-4.1A)
EPE  A 702 (-4.5A)
 1.15A 4g10A-5verA:
undetectable		 4g10A-5verA:
19.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4GBO_B_CUB301_0
(E7)		 2ww8 CELL WALL SURFACE
ANCHOR FAMILY
PROTEIN
(Streptococcus
pneumoniae) 		4 / 5 HIS A 400
ALA A 401
GLN A 410
TYR A 407
 None
None
None
EPE  A1100 (-4.1A)
 1.47A 4gboB-2ww8A:
undetectable		 4gboB-2ww8A:
13.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4GC9_A_ACTA402_0
(DIMETHYLADENOSINE
TRANSFERASE 1,
MITOCHONDRIAL)		 2wjr PROBABLE
N-ACETYLNEURAMINIC
ACID OUTER MEMBRANE
CHANNEL PROTEIN NANC
(Escherichia
coli) 		3 / 3 LYS A  91
TYR A  89
ARG A 105
 EPE  A1217 (-2.7A)
None
None
 1.01A 4gc9A-2wjrA:
undetectable		 4gc9A-2wjrA:
18.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4GKH_B_KANB301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 3wiw GLYCOSYL HYDROLASE
FAMILY 88
(Pedobacter
heparinus) 		4 / 8 ASP A  72
ASP A 174
GLU A 369
ASP A 116
 None
EPE  A 501 (-3.9A)
None
EPE  A 501 (-2.8A)
 1.18A 4gkhB-3wiwA:
undetectable		 4gkhB-3wiwA:
21.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4GKH_G_KANG301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 3wiw GLYCOSYL HYDROLASE
FAMILY 88
(Pedobacter
heparinus) 		4 / 7 ASP A  72
ASP A 174
GLU A 369
ASP A 116
 None
EPE  A 501 (-3.9A)
None
EPE  A 501 (-2.8A)
 1.19A 4gkhG-3wiwA:
undetectable		 4gkhG-3wiwA:
21.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4GKH_K_KANK301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 2wjr PROBABLE
N-ACETYLNEURAMINIC
ACID OUTER MEMBRANE
CHANNEL PROTEIN NANC
(Escherichia
coli) 		4 / 8 ASP A  54
GLU A  35
ASP A 188
GLU A 168
 None
None
None
EPE  A1216 ( 4.6A)
 1.10A 4gkhC-2wjrA:
undetectable
4gkhK-2wjrA:
undetectable		 4gkhC-2wjrA:
20.22
4gkhK-2wjrA:
20.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4GKH_K_KANK301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 3qz4 ENDO-1,4-BETA-XYLANA
SE D
(Bacteroides
thetaiotaomicron) 		4 / 8 ASP A 163
ASP A  39
GLU A 218
ASP A  58
 EPE  A 338 ( 4.6A)
EPE  A 338 (-2.7A)
EPE  A 338 ( 3.6A)
None
 1.12A 4gkhC-3qz4A:
undetectable
4gkhK-3qz4A:
undetectable		 4gkhC-3qz4A:
20.06
4gkhK-3qz4A:
20.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4GKI_A_KANA301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 3wiw GLYCOSYL HYDROLASE
FAMILY 88
(Pedobacter
heparinus) 		4 / 8 ASP A  72
ASP A 174
GLU A 369
ASP A 116
 None
EPE  A 501 (-3.9A)
None
EPE  A 501 (-2.8A)
 1.20A 4gkiA-3wiwA:
undetectable		 4gkiA-3wiwA:
21.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4GKI_C_KANC301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 3wiw GLYCOSYL HYDROLASE
FAMILY 88
(Pedobacter
heparinus) 		4 / 8 ASP A  72
ASP A 174
GLU A 369
ASP A 116
 None
EPE  A 501 (-3.9A)
None
EPE  A 501 (-2.8A)
 1.20A 4gkiC-3wiwA:
undetectable		 4gkiC-3wiwA:
21.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4GKI_G_KANG301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 2wjr PROBABLE
N-ACETYLNEURAMINIC
ACID OUTER MEMBRANE
CHANNEL PROTEIN NANC
(Escherichia
coli) 		4 / 8 ASP A  54
GLU A  35
ASP A 188
GLU A 168
 None
None
None
EPE  A1216 ( 4.6A)
 1.07A 4gkiE-2wjrA:
undetectable
4gkiG-2wjrA:
undetectable		 4gkiE-2wjrA:
20.22
4gkiG-2wjrA:
20.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4GKI_G_KANG301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 3qz4 ENDO-1,4-BETA-XYLANA
SE D
(Bacteroides
thetaiotaomicron) 		4 / 8 ASP A 163
ASP A  39
GLU A 218
ASP A  58
 EPE  A 338 ( 4.6A)
EPE  A 338 (-2.7A)
EPE  A 338 ( 3.6A)
None
 1.08A 4gkiE-3qz4A:
undetectable
4gkiG-3qz4A:
undetectable		 4gkiE-3qz4A:
20.06
4gkiG-3qz4A:
20.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4HLA_A_017A200_1
(PROTEASE)		 2ynm LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE
IRON-SULFUR
ATP-BINDING PROTEIN
LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT N
(Prochlorococcus
marinus) 		5 / 12 LEU A  87
ALA C  71
GLY A 126
VAL A  83
ILE A  84
 None
None
SF4  A1302 (-3.9A)
None
EPE  A1298 (-4.9A)
 1.00A 4hlaA-2ynmA:
undetectable		 4hlaA-2ynmA:
18.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4HYT_A_OBNA1104_2
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)		 5xj1 UNCHARACTERIZED RNA
METHYLTRANSFERASE
SP_1029
(Streptococcus
pneumoniae) 		4 / 5 PRO A 382
ASP A 381
ILE A 378
VAL A 332
 None
EPE  A 504 (-3.8A)
None
None
 1.43A 4hytA-5xj1A:
2.7		 4hytA-5xj1A:
17.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4I89_A_1FLA201_1
(TRANSTHYRETIN)		 2eyq TRANSCRIPTION-REPAIR
COUPLING FACTOR
(Escherichia
coli) 		4 / 6 LEU A 939
ALA A 910
LEU A 784
SER A 906
 EPE  A1151 (-4.0A)
None
None
EPE  A1152 (-2.8A)
 1.00A 4i89A-2eyqA:
undetectable		 4i89A-2eyqA:
8.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4J7X_B_SASB804_2
(SEPIAPTERIN
REDUCTASE)		 3qz4 ENDO-1,4-BETA-XYLANA
SE D
(Bacteroides
thetaiotaomicron) 		3 / 3 LEU A 189
MET A 193
ASP A 163
 None
None
EPE  A 338 ( 4.6A)
 0.81A 4j7xB-3qz4A:
undetectable		 4j7xB-3qz4A:
20.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K50_A_ACTA502_0
(RNA POLYMERASE
3D-POL)		 5f9o CLADE A/E 93TH057
HIV-1 GP120 CORE
(Human
immunodeficiency
virus
1) 		3 / 3 ARG G 327
LYS G 328
LYS G 325
 EPE  G 514 ( 4.0A)
None
None
 1.30A 4k50A-5f9oG:
undetectable		 4k50A-5f9oG:
20.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K50_E_ACTE502_0
(RNA POLYMERASE
3D-POL)		 5f9o CLADE A/E 93TH057
HIV-1 GP120 CORE
(Human
immunodeficiency
virus
1) 		3 / 3 ARG G 327
LYS G 328
LYS G 325
 EPE  G 514 ( 4.0A)
None
None
 1.36A 4k50E-5f9oG:
undetectable		 4k50E-5f9oG:
20.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K50_I_ACTI506_0
(RNA POLYMERASE
3D-POL)		 5f9o CLADE A/E 93TH057
HIV-1 GP120 CORE
(Human
immunodeficiency
virus
1) 		3 / 3 ARG G 327
LYS G 328
LYS G 325
 EPE  G 514 ( 4.0A)
None
None
 1.36A 4k50I-5f9oG:
undetectable		 4k50I-5f9oG:
20.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KM0_B_CP6B201_1
(DIHYDROFOLATE
REDUCTASE)		 4xsr ALR3699 PROTEIN
(Nostoc
sp.
PCC
7120) 		5 / 12 ALA B  88
ILE B  94
LEU B 140
ILE B 107
THR B  87
 None
None
None
EPE  B 401 ( 4.7A)
None
 1.01A 4km0B-4xsrB:
undetectable		 4km0B-4xsrB:
18.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KN2_C_LYAC304_2
(FOLATE RECEPTOR BETA)		 3w5f BETA-GALACTOSIDASE
(Solanum
lycopersicum) 		3 / 3 TYR A 289
GLN A 177
TRP A 248
 EPE  A 804 (-3.9A)
None
None
 1.15A 4kn2C-3w5fA:
undetectable		 4kn2C-3w5fA:
14.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KYA_A_FOLA703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 4mco TRAP DICARBOXYLATE
TRANSPORTER-DCTP
SUBUNIT
(Rhodoferax
ferrireducens) 		5 / 11 VAL A 227
ALA A 203
THR A 214
ARG A 223
THR A 206
 EPE  A 403 (-4.6A)
None
MLI  A 401 (-3.8A)
None
None
 1.44A 4kyaA-4mcoA:
undetectable		 4kyaA-4mcoA:
20.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KYA_E_FOLE703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 4mco TRAP DICARBOXYLATE
TRANSPORTER-DCTP
SUBUNIT
(Rhodoferax
ferrireducens) 		5 / 11 VAL A 227
ALA A 203
THR A 214
ARG A 223
THR A 206
 EPE  A 403 (-4.6A)
None
MLI  A 401 (-3.8A)
None
None
 1.42A 4kyaE-4mcoA:
undetectable		 4kyaE-4mcoA:
20.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KYA_G_FOLG703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 4mco TRAP DICARBOXYLATE
TRANSPORTER-DCTP
SUBUNIT
(Rhodoferax
ferrireducens) 		5 / 11 VAL A 227
ALA A 203
THR A 214
ARG A 223
THR A 206
 EPE  A 403 (-4.6A)
None
MLI  A 401 (-3.8A)
None
None
 1.43A 4kyaG-4mcoA:
undetectable		 4kyaG-4mcoA:
20.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4L39_A_SALA602_1
(4-SUBSTITUTED
BENZOATES-GLUTAMATE
LIGASE GH3.12)		 3qqi HEMAGGLUTININ
(Influenza
A
virus) 		4 / 6 LEU A 194
TYR A 195
ILE A 252
GLY A 134
 None
None
None
EPE  A3380 (-3.4A)
 0.82A 4l39A-3qqiA:
undetectable		 4l39A-3qqiA:
16.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4L39_B_SALB601_1
(4-SUBSTITUTED
BENZOATES-GLUTAMATE
LIGASE GH3.12)		 3qqi HEMAGGLUTININ
(Influenza
A
virus) 		4 / 7 LEU A 194
TYR A 195
ILE A 252
GLY A 134
 None
None
None
EPE  A3380 (-3.4A)
 0.81A 4l39B-3qqiA:
undetectable		 4l39B-3qqiA:
16.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LHM_A_AZZA510_1
(THYMIDINE
PHOSPHORYLASE)		 4y0e PUTATIVE DIOXYGENASE
(Mycobacteroides
abscessus) 		5 / 11 THR A 105
VAL A 110
ILE A 113
PHE A 213
LEU A 209
 None
None
None
EPE  A 403 (-4.8A)
None
 1.20A 4lhmA-4y0eA:
undetectable		 4lhmA-4y0eA:
23.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LMN_A_EUIA503_1
(DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 1)		 4yg8 CHITIN BIOSYNTHESIS
PROTEIN CHS6
(Saccharomyces
cerevisiae) 		6 / 12 LEU B 678
LEU B 653
ASN B 191
PHE B 695
LEU B 700
MET B 733
 None
None
EPE  B 801 (-4.9A)
EPE  B 801 ( 4.5A)
None
None
 1.36A 4lmnA-4yg8B:
undetectable		 4lmnA-4yg8B:
16.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MS4_A_2C0A501_1
(GAMMA-AMINOBUTYRIC
ACID TYPE B RECEPTOR
SUBUNIT 1)		 4xzw ENDO-GLUCANASE
CHIMERA C10
(Geobacillus
sp.
70PC53;
uncultured
bacterium) 		4 / 8 SER A 234
SER A 273
TRP A 264
GLU A 230
 None
None
EPE  A 404 ( 4.1A)
EPE  A 404 (-4.3A)
 1.30A 4ms4A-4xzwA:
undetectable		 4ms4A-4xzwA:
21.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4N9K_A_CEDA301_1
(BETA-LACTAMASE)		 1n9b BETA-LACTAMASE SHV-2
(Klebsiella
pneumoniae) 		10 / 12 SER A  70
TYR A 105
SER A 130
ASN A 132
ASN A 170
LYS A 234
THR A 235
GLY A 236
ALA A 237
ARG A 244
 EPE  A 400 (-3.7A)
EPE  A 400 (-3.6A)
EPE  A 400 (-2.5A)
None
None
EPE  A 400 (-3.1A)
EPE  A 400 (-3.8A)
EPE  A 400 (-3.1A)
EPE  A 400 (-4.0A)
MA4  A 310 ( 3.8A)
 0.70A 4n9kA-1n9bA:
34.9		 4n9kA-1n9bA:
37.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4N9K_A_CEDA301_1
(BETA-LACTAMASE)		 3lez BETA-LACTAMASE
(Oceanobacillus
iheyensis) 		10 / 12 SER A  85
TYR A 118
SER A 143
ASN A 145
ASN A 183
LYS A 247
THR A 248
GLY A 249
ALA A 250
ARG A 256
 EPE  A 305 (-3.4A)
EPE  A 305 (-3.3A)
EPE  A 305 (-2.5A)
None
None
EPE  A 305 (-3.1A)
EPE  A 305 (-3.6A)
EPE  A 305 (-3.4A)
EPE  A 305 ( 4.1A)
EPE  A 305 (-3.7A)
 0.50A 4n9kA-3lezA:
44.0		 4n9kA-3lezA:
56.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4N9K_B_CEDB301_1
(BETA-LACTAMASE)		 1n9b BETA-LACTAMASE SHV-2
(Klebsiella
pneumoniae) 		9 / 12 SER A  70
SER A 130
ASN A 132
ASN A 170
LYS A 234
THR A 235
GLY A 236
ALA A 237
ARG A 244
 EPE  A 400 (-3.7A)
EPE  A 400 (-2.5A)
None
None
EPE  A 400 (-3.1A)
EPE  A 400 (-3.8A)
EPE  A 400 (-3.1A)
EPE  A 400 (-4.0A)
MA4  A 310 ( 3.8A)
 0.69A 4n9kB-1n9bA:
34.8		 4n9kB-1n9bA:
37.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4N9K_B_CEDB301_1
(BETA-LACTAMASE)		 3lez BETA-LACTAMASE
(Oceanobacillus
iheyensis) 		10 / 12 SER A  85
SER A 143
ASN A 145
ASN A 183
LYS A 247
THR A 248
GLY A 249
ALA A 250
ARG A 256
TYR A 286
 EPE  A 305 (-3.4A)
EPE  A 305 (-2.5A)
None
None
EPE  A 305 (-3.1A)
EPE  A 305 (-3.6A)
EPE  A 305 (-3.4A)
EPE  A 305 ( 4.1A)
EPE  A 305 (-3.7A)
None
 0.45A 4n9kB-3lezA:
44.1		 4n9kB-3lezA:
56.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4O8F_B_BRLB501_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		 3etc AMP-BINDING PROTEIN
(Methanosarcina
acetivorans) 		5 / 12 CYH A 257
HIS A 230
VAL A 274
LEU A 206
TYR A 226
 None
None
EPE  A 996 (-3.8A)
None
None
 1.25A 4o8fB-3etcA:
undetectable		 4o8fB-3etcA:
20.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4PM5_A_CE3A301_1
(BETA-LACTAMASE
CTX-M-14)		 1n9b BETA-LACTAMASE SHV-2
(Klebsiella
pneumoniae) 		7 / 12 TYR A 105
SER A 130
ASN A 132
ASN A 170
LYS A 234
THR A 235
GLY A 236
 EPE  A 400 (-3.6A)
EPE  A 400 (-2.5A)
None
None
EPE  A 400 (-3.1A)
EPE  A 400 (-3.8A)
EPE  A 400 (-3.1A)
 0.42A 4pm5A-1n9bA:
35.6		 4pm5A-1n9bA:
39.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4PM5_A_CE3A301_1
(BETA-LACTAMASE
CTX-M-14)		 3lez BETA-LACTAMASE
(Oceanobacillus
iheyensis) 		9 / 12 TYR A 118
SER A 143
ASN A 145
ASN A 183
THR A 229
LYS A 247
THR A 248
GLY A 249
GLY A 251
 EPE  A 305 (-3.3A)
EPE  A 305 (-2.5A)
None
None
EPE  A 305 ( 3.9A)
EPE  A 305 (-3.1A)
EPE  A 305 (-3.6A)
EPE  A 305 (-3.4A)
None
 0.37A 4pm5A-3lezA:
41.4		 4pm5A-3lezA:
43.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4PM7_A_CE3A301_1
(BETA-LACTAMASE
CTX-M-14)		 1n9b BETA-LACTAMASE SHV-2
(Klebsiella
pneumoniae) 		8 / 12 LYS A  73
TYR A 105
SER A 130
ASN A 132
ASN A 170
LYS A 234
GLY A 236
ALA A 237
 None
EPE  A 400 (-3.6A)
EPE  A 400 (-2.5A)
None
None
EPE  A 400 (-3.1A)
EPE  A 400 (-3.1A)
EPE  A 400 (-4.0A)
 0.43A 4pm7A-1n9bA:
35.6		 4pm7A-1n9bA:
40.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4PM7_A_CE3A301_1
(BETA-LACTAMASE
CTX-M-14)		 3lez BETA-LACTAMASE
(Oceanobacillus
iheyensis) 		10 / 12 LYS A  88
TYR A 118
SER A 143
ASN A 145
ASN A 183
THR A 229
LYS A 247
GLY A 249
ALA A 250
GLY A 251
 None
EPE  A 305 (-3.3A)
EPE  A 305 (-2.5A)
None
None
EPE  A 305 ( 3.9A)
EPE  A 305 (-3.1A)
EPE  A 305 (-3.4A)
EPE  A 305 ( 4.1A)
None
 0.42A 4pm7A-3lezA:
41.4		 4pm7A-3lezA:
43.98
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4PM9_A_CE3A301_1
(BETA-LACTAMASE
CTX-M-14)		 1n9b BETA-LACTAMASE SHV-2
(Klebsiella
pneumoniae) 		8 / 12 TYR A 105
SER A 130
ASN A 132
ASN A 170
LYS A 234
THR A 235
GLY A 236
ALA A 237
 EPE  A 400 (-3.6A)
EPE  A 400 (-2.5A)
None
None
EPE  A 400 (-3.1A)
EPE  A 400 (-3.8A)
EPE  A 400 (-3.1A)
EPE  A 400 (-4.0A)
 0.47A 4pm9A-1n9bA:
35.6		 4pm9A-1n9bA:
40.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4PM9_A_CE3A301_1
(BETA-LACTAMASE
CTX-M-14)		 3lez BETA-LACTAMASE
(Oceanobacillus
iheyensis) 		10 / 12 TYR A 118
SER A 143
ASN A 145
ASN A 183
THR A 229
LYS A 247
THR A 248
GLY A 249
ALA A 250
GLY A 251
 EPE  A 305 (-3.3A)
EPE  A 305 (-2.5A)
None
None
EPE  A 305 ( 3.9A)
EPE  A 305 (-3.1A)
EPE  A 305 (-3.6A)
EPE  A 305 (-3.4A)
EPE  A 305 ( 4.1A)
None
 0.37A 4pm9A-3lezA:
41.4		 4pm9A-3lezA:
44.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PWJ_A_30ZA201_1
(TRANSTHYRETIN)		 2eyq TRANSCRIPTION-REPAIR
COUPLING FACTOR
(Escherichia
coli) 		5 / 6 LEU A 939
THR A 882
ALA A 910
LEU A 784
SER A 906
 EPE  A1151 (-4.0A)
None
None
None
EPE  A1152 (-2.8A)
 1.36A 4pwjA-2eyqA:
undetectable		 4pwjA-2eyqA:
8.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PWJ_B_30ZB201_1
(TRANSTHYRETIN)		 2eyq TRANSCRIPTION-REPAIR
COUPLING FACTOR
(Escherichia
coli) 		4 / 7 LEU A 939
ALA A 910
LEU A 784
SER A 906
 EPE  A1151 (-4.0A)
None
None
EPE  A1152 (-2.8A)
 1.00A 4pwjB-2eyqA:
undetectable		 4pwjB-2eyqA:
8.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Q1X_A_017A101_2
(ASPARTYL PROTEASE)		 2ynm LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE
IRON-SULFUR
ATP-BINDING PROTEIN
LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT N
(Prochlorococcus
marinus) 		5 / 12 LEU A  87
ALA C  71
GLY A 126
VAL A  83
ILE A  84
 None
None
SF4  A1302 (-3.9A)
None
EPE  A1298 (-4.9A)
 0.84A 4q1xB-2ynmA:
undetectable		 4q1xB-2ynmA:
18.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Q1Y_A_017A106_2
(ASPARTYL PROTEASE)		 2ynm LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE
IRON-SULFUR
ATP-BINDING PROTEIN
LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT N
(Prochlorococcus
marinus) 		5 / 12 LEU A  87
ALA C  71
GLY A 126
VAL A  83
ILE A  84
 None
None
SF4  A1302 (-3.9A)
None
EPE  A1298 (-4.9A)
 0.89A 4q1yB-2ynmA:
undetectable		 4q1yB-2ynmA:
16.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QVP_H_BO2H301_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-3)		 3lez BETA-LACTAMASE
(Oceanobacillus
iheyensis) 		5 / 12 SER A 278
ALA A 250
GLY A 251
ALA A  82
THR A  84
 None
EPE  A 305 ( 4.1A)
None
None
None
 1.13A 4qvpH-3lezA:
undetectable
4qvpI-3lezA:
undetectable		 4qvpH-3lezA:
24.65
4qvpI-3lezA:
21.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QVP_V_BO2V301_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-3)		 3lez BETA-LACTAMASE
(Oceanobacillus
iheyensis) 		5 / 12 SER A 278
ALA A 250
GLY A 251
ALA A  82
THR A  84
 None
EPE  A 305 ( 4.1A)
None
None
None
 1.13A 4qvpV-3lezA:
undetectable
4qvpW-3lezA:
undetectable		 4qvpV-3lezA:
24.65
4qvpW-3lezA:
21.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QVV_V_BO2V301_1
(PROTEASOME SUBUNIT
BETA TYPE-2)		 3lez BETA-LACTAMASE
(Oceanobacillus
iheyensis) 		5 / 11 SER A 278
ALA A 250
GLY A 251
ALA A  82
THR A  84
 None
EPE  A 305 ( 4.1A)
None
None
None
 1.17A 4qvvV-3lezA:
undetectable		 4qvvV-3lezA:
24.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QVW_K_BO2K301_1
(PROTEASOME SUBUNIT
BETA TYPE-5
PROTEASOME SUBUNIT
BETA TYPE-6)		 5je8 3-HYDROXYISOBUTYRATE
DEHYDROGENASE
(Bacillus
cereus) 		5 / 11 THR A  94
ALA A 119
GLY A 124
GLY A 123
SER A 122
 None
None
NAD  A 401 ( 3.5A)
EPE  A 402 (-3.8A)
EPE  A 402 (-3.4A)
 1.09A 4qvwK-5je8A:
undetectable
4qvwL-5je8A:
undetectable		 4qvwK-5je8A:
23.08
4qvwL-5je8A:
20.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QVW_Y_BO2Y301_1
(PROTEASOME SUBUNIT
BETA TYPE-5
PROTEASOME SUBUNIT
BETA TYPE-6)		 5je8 3-HYDROXYISOBUTYRATE
DEHYDROGENASE
(Bacillus
cereus) 		5 / 11 THR A  94
ALA A 119
GLY A 124
GLY A 123
SER A 122
 None
None
NAD  A 401 ( 3.5A)
EPE  A 402 (-3.8A)
EPE  A 402 (-3.4A)
 1.09A 4qvwY-5je8A:
undetectable
4qvwZ-5je8A:
undetectable		 4qvwY-5je8A:
23.08
4qvwZ-5je8A:
20.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QW0_H_BO2H301_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-3)		 3lez BETA-LACTAMASE
(Oceanobacillus
iheyensis) 		5 / 11 SER A 278
ALA A 250
GLY A 251
ALA A  82
THR A  84
 None
EPE  A 305 ( 4.1A)
None
None
None
 1.17A 4qw0H-3lezA:
undetectable
4qw0I-3lezA:
undetectable		 4qw0H-3lezA:
24.65
4qw0I-3lezA:
21.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QW0_V_BO2V301_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-3)		 3lez BETA-LACTAMASE
(Oceanobacillus
iheyensis) 		5 / 11 SER A 278
ALA A 250
GLY A 251
ALA A  82
THR A  84
 None
EPE  A 305 ( 4.1A)
None
None
None
 1.17A 4qw0V-3lezA:
undetectable
4qw0W-3lezA:
undetectable		 4qw0V-3lezA:
24.65
4qw0W-3lezA:
21.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QW1_H_BO2H301_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-3)		 3lez BETA-LACTAMASE
(Oceanobacillus
iheyensis) 		5 / 12 SER A 278
ALA A 250
GLY A 251
ALA A  82
THR A  84
 None
EPE  A 305 ( 4.1A)
None
None
None
 1.13A 4qw1H-3lezA:
undetectable
4qw1I-3lezA:
undetectable		 4qw1H-3lezA:
24.65
4qw1I-3lezA:
21.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QW1_V_BO2V301_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-3)		 3lez BETA-LACTAMASE
(Oceanobacillus
iheyensis) 		5 / 12 SER A 278
ALA A 250
GLY A 251
ALA A  82
THR A  84
 None
EPE  A 305 ( 4.1A)
None
None
None
 1.13A 4qw1V-3lezA:
undetectable
4qw1W-3lezA:
undetectable		 4qw1V-3lezA:
24.65
4qw1W-3lezA:
21.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QWP_A_GCSA303_1
(CHITOSANASE)		 5l9w ACETOPHENONE
CARBOXYLASE ALPHA
SUBUNIT
ACETOPHENONE
CARBOXYLASE GAMMA
SUBUNIT
(Aromatoleum
aromaticum) 		4 / 6 GLU B 553
ILE b 170
HIS B 264
TYR B 512
 None
EPE  B 802 (-4.6A)
None
None
 0.91A 4qwpA-5l9wB:
undetectable		 4qwpA-5l9wB:
18.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RDX_A_HISA502_0
(HISTIDINE--TRNA
LIGASE)		 1vey PEPTIDE DEFORMYLASE
(Leptospira
interrogans) 		4 / 7 GLU A 144
TYR A  71
GLY A  46
GLY A  48
 EPE  A1716 (-3.1A)
EPE  A1716 (-3.2A)
EPE  A1716 (-3.1A)
EPE  A1716 (-4.1A)
 0.68A 4rdxA-1veyA:
undetectable		 4rdxA-1veyA:
21.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RET_A_DGXA1107_1
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)		 5d8g TRYPTOPHANASE
(Escherichia
coli) 		5 / 12 LEU A 452
LEU A 461
PHE A  39
LEU A 418
ARG A 419
 None
None
None
None
EPE  A1003 (-2.9A)
 1.19A 4retA-5d8gA:
2.9		 4retA-5d8gA:
18.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RTB_A_SAMA501_1
(HYDG PROTEIN)		 3wiw GLYCOSYL HYDROLASE
FAMILY 88
(Pedobacter
heparinus) 		3 / 3 GLU A 369
ARG A  66
GLN A 236
 None
None
EPE  A 501 ( 4.3A)
 0.90A 4rtbA-3wiwA:
undetectable		 4rtbA-3wiwA:
20.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RYA_A_MTLA501_1
(ABC TRANSPORTER
SUBSTRATE BINDING
PROTEIN (SORBITOL))		 3w5f BETA-GALACTOSIDASE
(Solanum
lycopersicum) 		3 / 3 GLU A 250
TYR A 310
GLU A 120
 EPE  A 804 (-3.8A)
None
EPE  A 804 (-3.4A)
 0.75A 4ryaA-3w5fA:
undetectable		 4ryaA-3w5fA:
19.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RZV_B_032B801_2
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 3qz4 ENDO-1,4-BETA-XYLANA
SE D
(Bacteroides
thetaiotaomicron) 		4 / 5 ILE A 298
PHE A  60
SER A 240
ASP A  39
 None
None
None
EPE  A 338 (-2.7A)
 1.43A 4rzvB-3qz4A:
undetectable		 4rzvB-3qz4A:
20.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4U95_B_MIYB1102_1
(MULTIDRUG EFFLUX
PUMP SUBUNIT ACRB)		 1tvp CELLULASE
(Pseudoalteromona
s
haloplanktis) 		6 / 12 SER A  25
GLY A 168
SER A 173
GLU A 135
ASN A 134
ALA A 149
 None
None
None
EPE  A 700 (-3.4A)
None
None
 1.45A 4u95B-1tvpA:
undetectable		 4u95B-1tvpA:
14.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4U95_B_MIYB1102_1
(MULTIDRUG EFFLUX
PUMP SUBUNIT ACRB)		 4xzw ENDO-GLUCANASE
CHIMERA C10
(Geobacillus
sp.
70PC53;
uncultured
bacterium) 		6 / 12 SER A  33
GLY A 176
SER A 181
GLU A 142
ASN A 141
ALA A 157
 None
None
None
EPE  A 404 (-3.3A)
None
None
 1.45A 4u95B-4xzwA:
undetectable		 4u95B-4xzwA:
16.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UHX_A_LZUA3008_1
(ALDEHYDE OXIDASE)		 1vey PEPTIDE DEFORMYLASE
(Leptospira
interrogans) 		4 / 8 HIS A 147
GLU A 144
ASP A 146
ARG A 156
 ZN  A1513 (-3.6A)
EPE  A1716 (-3.1A)
None
None
 1.16A 4uhxA-1veyA:
undetectable		 4uhxA-1veyA:
9.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UHX_A_RTZA3009_1
(ALDEHYDE OXIDASE)		 1vey PEPTIDE DEFORMYLASE
(Leptospira
interrogans) 		4 / 8 HIS A 147
GLU A 144
ASP A 146
ARG A 156
 ZN  A1513 (-3.6A)
EPE  A1716 (-3.1A)
None
None
 1.16A 4uhxA-1veyA:
undetectable		 4uhxA-1veyA:
9.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WCX_C_SAMC503_0
(BIOTIN AND THIAMIN
SYNTHESIS ASSOCIATED)		 2ww8 CELL WALL SURFACE
ANCHOR FAMILY
PROTEIN
(Streptococcus
pneumoniae) 		5 / 12 GLU A 181
GLY A 187
GLU A 186
LEU A 623
ALA A 625
 EPE  A1101 (-3.2A)
None
None
None
None
 1.27A 4wcxC-2ww8A:
undetectable		 4wcxC-2ww8A:
19.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4WH5_A_3QBA204_1
(LINCOSAMIDE
RESISTANCE PROTEIN)		 4fo1 LINCOSAMIDE
RESISTANCE PROTEIN
(Staphylococcus
haemolyticus) 		10 / 12 ASP A  28
GLY A  29
ASP A  48
ASP A  50
HIS A  92
PHE A 114
ALA A 136
GLN A 137
PHE A 140
HIS A 141
 EPE  A 201 (-3.2A)
EPE  A 201 (-3.6A)
EPE  A 201 (-3.6A)
EPE  A 201 (-3.2A)
EPE  A 201 (-3.4A)
EPE  A 201 (-4.1A)
None
None
EPE  A 201 (-3.7A)
None
 0.62A 4wh5A-4fo1A:
29.0		 4wh5A-4fo1A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4WH5_A_3QBA204_1
(LINCOSAMIDE
RESISTANCE PROTEIN)		 4fo1 LINCOSAMIDE
RESISTANCE PROTEIN
(Staphylococcus
haemolyticus) 		8 / 12 ASP A  28
GLY A  29
ASP A  48
ASP A  50
HIS A  92
PHE A 114
GLN A 137
HIS A 141
 EPE  A 201 (-3.2A)
EPE  A 201 (-3.6A)
EPE  A 201 (-3.6A)
EPE  A 201 (-3.2A)
EPE  A 201 (-3.4A)
EPE  A 201 (-4.1A)
None
None
 1.48A 4wh5A-4fo1A:
29.0		 4wh5A-4fo1A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4WH5_A_3QBA204_1
(LINCOSAMIDE
RESISTANCE PROTEIN)		 4fo1 LINCOSAMIDE
RESISTANCE PROTEIN
(Staphylococcus
haemolyticus) 		11 / 12 ASP A  28
GLY A  29
ASP A  48
ASP A  50
HIS A  92
PHE A 114
PHE A 119
ILE A 132
ALA A 136
GLN A 137
HIS A 141
 EPE  A 201 (-3.2A)
EPE  A 201 (-3.6A)
EPE  A 201 (-3.6A)
EPE  A 201 (-3.2A)
EPE  A 201 (-3.4A)
EPE  A 201 (-4.1A)
None
None
None
None
None
 0.37A 4wh5A-4fo1A:
29.0		 4wh5A-4fo1A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4WH5_A_3QBA204_1
(LINCOSAMIDE
RESISTANCE PROTEIN)		 4fo1 LINCOSAMIDE
RESISTANCE PROTEIN
(Staphylococcus
haemolyticus) 		6 / 12 GLY A  29
ASP A  48
HIS A  92
PHE A 119
PHE A 140
HIS A 141
 EPE  A 201 (-3.6A)
EPE  A 201 (-3.6A)
EPE  A 201 (-3.4A)
None
EPE  A 201 (-3.7A)
None
 1.38A 4wh5A-4fo1A:
29.0		 4wh5A-4fo1A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4WH5_B_3QBB203_1
(LINCOSAMIDE
RESISTANCE PROTEIN)		 4fo1 LINCOSAMIDE
RESISTANCE PROTEIN
(Staphylococcus
haemolyticus) 		9 / 11 ASP A  28
ASP A  48
ASP A  50
ARG A  78
ASP A  90
HIS A  92
GLN A 104
TRP A 118
PHE A 119
 EPE  A 201 (-3.2A)
EPE  A 201 (-3.6A)
EPE  A 201 (-3.2A)
None
None
EPE  A 201 (-3.4A)
EPE  A 201 (-2.7A)
None
None
 0.60A 4wh5A-4fo1A:
29.0
4wh5B-4fo1A:
29.1		 4wh5A-4fo1A:
100.00
4wh5B-4fo1A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4WH5_B_3QBB203_1
(LINCOSAMIDE
RESISTANCE PROTEIN)		 4fo1 LINCOSAMIDE
RESISTANCE PROTEIN
(Staphylococcus
haemolyticus) 		7 / 11 ASP A  28
ASP A  48
ASP A  90
HIS A  92
GLN A 104
TRP A 118
PHE A 140
 EPE  A 201 (-3.2A)
EPE  A 201 (-3.6A)
None
EPE  A 201 (-3.4A)
EPE  A 201 (-2.7A)
None
EPE  A 201 (-3.7A)
 0.83A 4wh5A-4fo1A:
29.0
4wh5B-4fo1A:
29.1		 4wh5A-4fo1A:
100.00
4wh5B-4fo1A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4WH5_B_3QBB203_1
(LINCOSAMIDE
RESISTANCE PROTEIN)		 4fo1 LINCOSAMIDE
RESISTANCE PROTEIN
(Staphylococcus
haemolyticus) 		5 / 11 ASP A  50
ASP A  90
HIS A  92
TRP A 118
PHE A 140
 EPE  A 201 (-3.2A)
None
EPE  A 201 (-3.4A)
None
EPE  A 201 (-3.7A)
 1.47A 4wh5A-4fo1A:
29.0
4wh5B-4fo1A:
29.1		 4wh5A-4fo1A:
100.00
4wh5B-4fo1A:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WRY_A_URFA302_1
(URACIL-DNA
GLYCOSYLASE)		 3r7a PHOSPHOGLYCERATE
MUTASE, PUTATIVE
(Bacillus
anthracis) 		4 / 8 GLY A  31
GLN A  30
SER A  63
HIS A 179
 None
EPE  A 301 (-3.9A)
None
EPE  A 301 (-3.9A)
 0.81A 4wryA-3r7aA:
undetectable		 4wryA-3r7aA:
20.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WRZ_A_URFA302_1
(URACIL-DNA
GLYCOSYLASE)		 3r7a PHOSPHOGLYCERATE
MUTASE, PUTATIVE
(Bacillus
anthracis) 		4 / 8 GLY A  31
GLN A  30
SER A  63
HIS A 179
 None
EPE  A 301 (-3.9A)
None
EPE  A 301 (-3.9A)
 0.91A 4wrzA-3r7aA:
undetectable		 4wrzA-3r7aA:
20.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4X1I_B_LOCB502_2
(TUBULIN BETA CHAIN)		 2qs7 UNCHARACTERIZED
PROTEIN
(Sulfolobus
solfataricus) 		5 / 12 LYS A 100
LEU A  40
ASN A  39
THR A 140
ALA A  31
 None
None
None
EPE  A 145 (-4.4A)
None
 1.15A 4x1iB-2qs7A:
undetectable		 4x1iB-2qs7A:
15.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4X1K_B_LOCB502_1
(TUBULIN ALPHA CHAIN
TUBULIN BETA CHAIN)		 2qs7 UNCHARACTERIZED
PROTEIN
(Sulfolobus
solfataricus) 		5 / 12 LYS A 100
LEU A  40
ASN A  39
THR A 140
ALA A  31
 None
None
None
EPE  A 145 (-4.4A)
None
 1.08A 4x1kA-2qs7A:
undetectable
4x1kB-2qs7A:
undetectable		 4x1kA-2qs7A:
15.75
4x1kB-2qs7A:
15.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XP9_C_1WEC706_1
(TRANSPORTER)		 3bio OXIDOREDUCTASE,
GFO/IDH/MOCA FAMILY
(Porphyromonas
gingivalis) 		4 / 4 PHE A  93
ASP A  94
GLY A  98
SER A  72
 None
EPE  A1001 (-4.5A)
None
None
 1.16A 4xp9C-3bioA:
undetectable		 4xp9C-3bioA:
21.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XZK_A_AG2A700_1
(PUTATIVE
NAD(+)--ARGININE
ADP-RIBOSYLTRANSFERA
SE VIS)		 2ixs SDAI RESTRICTION
ENDONUCLEASE
(Streptomyces
diastaticus) 		4 / 7 SER A 128
TYR A 129
ARG A 157
PHE A  24
 None
EPE  A1329 (-4.6A)
EPE  A1329 ( 4.7A)
None
 1.29A 4xzkA-2ixsA:
undetectable		 4xzkA-2ixsA:
23.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Y8W_C_STRC603_2
(CYTOCHROME P450
21-HYDROXYLASE)		 2xqr INVERTASE INHIBITOR
(Nicotiana
tabacum) 		3 / 3 LEU B  81
VAL B  40
ASP B  41
 EPE  B1000 (-4.0A)
None
None
 0.65A 4y8wC-2xqrB:
undetectable		 4y8wC-2xqrB:
16.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Z2E_F_TR6F101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
SYMMETRIZED E-SITE
DNA)		 2wjr PROBABLE
N-ACETYLNEURAMINIC
ACID OUTER MEMBRANE
CHANNEL PROTEIN NANC
(Escherichia
coli) 		4 / 5 GLY A  87
ARG A 107
GLY A  74
GLU A  58
 None
None
None
EPE  A1217 ( 4.9A)
 1.04A 4z2eB-2wjrA:
undetectable
4z2eC-2wjrA:
undetectable		 4z2eB-2wjrA:
18.35
4z2eC-2wjrA:
20.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Z4F_A_IPHA902_0
(PROTEIN ARGONAUTE-2)		 4pmr TAT-SECRETED PROTEIN
RV2525C
(Mycobacterium
tuberculosis) 		4 / 7 LEU A 127
TYR A  65
LYS A  79
PRO A  80
 None
None
EPE  A 301 (-2.8A)
None
 1.05A 4z4fA-4pmrA:
2.4		 4z4fA-4pmrA:
12.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Z4G_A_IPHA903_0
(PROTEIN ARGONAUTE-2)		 4pmr TAT-SECRETED PROTEIN
RV2525C
(Mycobacterium
tuberculosis) 		4 / 6 LEU A 127
TYR A  65
LYS A  79
PRO A  80
 None
None
EPE  A 301 (-2.8A)
None
 1.01A 4z4gA-4pmrA:
2.3		 4z4gA-4pmrA:
12.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ZXI_A_GLYA1402_0
(TYROCIDINE
SYNTHETASE 3)		 1vey PEPTIDE DEFORMYLASE
(Leptospira
interrogans) 		4 / 7 PHE A  97
ILE A 139
GLY A 135
THR A  74
 EPE  A1716 (-4.2A)
None
None
EPE  A1716 ( 4.7A)
 1.15A 4zxiA-1veyA:
undetectable		 4zxiA-1veyA:
8.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ZXI_A_GLYA1402_0
(TYROCIDINE
SYNTHETASE 3)		 3lez BETA-LACTAMASE
(Oceanobacillus
iheyensis) 		4 / 7 ASP A 258
ILE A 234
GLY A 245
THR A 248
 None
None
None
EPE  A 305 (-3.6A)
 1.11A 4zxiA-3lezA:
undetectable		 4zxiA-3lezA:
12.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5AXA_A_ADNA502_2
(ADENOSYLHOMOCYSTEINA
SE)		 4je5 AROMATIC/AMINOADIPAT
E AMINOTRANSFERASE 1
(Saccharomyces
cerevisiae) 		4 / 5 GLU A 146
THR A 148
HIS A 164
LEU A 170
 None
None
None
EPE  A 603 ( 4.0A)
 1.23A 5axaA-4je5A:
2.4		 5axaA-4je5A:
22.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5AXA_C_ADNC502_2
(ADENOSYLHOMOCYSTEINA
SE)		 4je5 AROMATIC/AMINOADIPAT
E AMINOTRANSFERASE 1
(Saccharomyces
cerevisiae) 		4 / 5 GLU A 146
THR A 148
HIS A 164
LEU A 170
 None
None
None
EPE  A 603 ( 4.0A)
 1.22A 5axaC-4je5A:
2.4		 5axaC-4je5A:
22.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5B1A_C_CHDC305_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3ec7 PUTATIVE
DEHYDROGENASE
(Salmonella
enterica) 		4 / 8 HIS A 176
ASP A 277
TYR A 129
HIS A 155
 EPE  A 401 (-4.0A)
None
None
EPE  A 401 (-4.4A)
 1.12A 5b1aA-3ec7A:
undetectable
5b1aC-3ec7A:
undetectable
5b1aP-3ec7A:
undetectable		 5b1aA-3ec7A:
20.73
5b1aC-3ec7A:
19.29
5b1aP-3ec7A:
19.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5B1A_P_CHDP307_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3ec7 PUTATIVE
DEHYDROGENASE
(Salmonella
enterica) 		4 / 7 HIS A 176
ASP A 277
TYR A 129
HIS A 155
 EPE  A 401 (-4.0A)
None
None
EPE  A 401 (-4.4A)
 1.10A 5b1aN-3ec7A:
undetectable
5b1aP-3ec7A:
undetectable		 5b1aN-3ec7A:
20.73
5b1aP-3ec7A:
19.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5B1B_C_CHDC307_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3ec7 PUTATIVE
DEHYDROGENASE
(Salmonella
enterica) 		4 / 8 HIS A 176
ASP A 277
TYR A 129
HIS A 155
 EPE  A 401 (-4.0A)
None
None
EPE  A 401 (-4.4A)
 1.12A 5b1bA-3ec7A:
undetectable
5b1bC-3ec7A:
undetectable
5b1bP-3ec7A:
undetectable		 5b1bA-3ec7A:
20.73
5b1bC-3ec7A:
19.29
5b1bP-3ec7A:
19.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5B1B_P_CHDP307_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3ec7 PUTATIVE
DEHYDROGENASE
(Salmonella
enterica) 		4 / 7 HIS A 176
ASP A 277
TYR A 129
HIS A 155
 EPE  A 401 (-4.0A)
None
None
EPE  A 401 (-4.4A)
 1.10A 5b1bN-3ec7A:
undetectable
5b1bP-3ec7A:
undetectable		 5b1bN-3ec7A:
20.73
5b1bP-3ec7A:
19.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5B3S_C_CHDC301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3ec7 PUTATIVE
DEHYDROGENASE
(Salmonella
enterica) 		4 / 8 HIS A 176
ASP A 277
TYR A 129
HIS A 155
 EPE  A 401 (-4.0A)
None
None
EPE  A 401 (-4.4A)
 1.10A 5b3sA-3ec7A:
undetectable
5b3sC-3ec7A:
undetectable
5b3sP-3ec7A:
undetectable		 5b3sA-3ec7A:
20.73
5b3sC-3ec7A:
19.29
5b3sP-3ec7A:
19.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5B3S_P_CHDP301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3ec7 PUTATIVE
DEHYDROGENASE
(Salmonella
enterica) 		4 / 7 HIS A 176
ASP A 277
TYR A 129
HIS A 155
 EPE  A 401 (-4.0A)
None
None
EPE  A 401 (-4.4A)
 1.10A 5b3sN-3ec7A:
undetectable
5b3sP-3ec7A:
undetectable		 5b3sN-3ec7A:
20.73
5b3sP-3ec7A:
19.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5B8I_C_FK5C201_1
(SERINE/THREONINE-PRO
TEIN PHOSPHATASE
PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE)		 3gby UNCHARACTERIZED
PROTEIN CT1051
(Chlorobaculum
tepidum) 		4 / 6 SER A   5
PRO A  80
PHE A   4
GLU A  82
 None
EPE  A 127 (-3.9A)
None
EPE  A 127 (-4.5A)
 1.27A 5b8iA-3gbyA:
undetectable		 5b8iA-3gbyA:
15.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5BOJ_A_4TXA201_1
(TRANSTHYRETIN)		 2eyq TRANSCRIPTION-REPAIR
COUPLING FACTOR
(Escherichia
coli) 		4 / 6 LEU A 939
ALA A 910
LEU A 784
SER A 906
 EPE  A1151 (-4.0A)
None
None
EPE  A1152 (-2.8A)
 0.96A 5bojA-2eyqA:
undetectable		 5bojA-2eyqA:
8.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5BOJ_B_4TXB201_1
(TRANSTHYRETIN)		 2eyq TRANSCRIPTION-REPAIR
COUPLING FACTOR
(Escherichia
coli) 		4 / 7 LEU A 939
ALA A 910
LEU A 784
SER A 906
 EPE  A1151 (-4.0A)
None
None
EPE  A1152 (-2.8A)
 0.99A 5bojB-2eyqA:
undetectable		 5bojB-2eyqA:
8.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5C6P_A_4YHA601_1
(PROTEIN C)		 3wiw GLYCOSYL HYDROLASE
FAMILY 88
(Pedobacter
heparinus) 		4 / 6 ALA A 308
SER A 307
GLN A 236
ASP A 293
 None
None
EPE  A 501 ( 4.3A)
None
 1.20A 5c6pA-3wiwA:
undetectable		 5c6pA-3wiwA:
22.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5CR1_A_T44A201_1
(TRANSTHYRETIN)		 2x4d PHOSPHOLYSINE
PHOSPHOHISTIDINE
INORGANIC
PYROPHOSPHATE
PHOSPHATASE
(Homo
sapiens) 		4 / 5 LYS A 183
ALA A 184
LEU A 176
VAL A 186
 None
EPE  A 502 (-3.9A)
None
None
 1.08A 5cr1A-2x4dA:
undetectable		 5cr1A-2x4dA:
18.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5CXV_A_0HKA501_1
(MUSCARINIC
ACETYLCHOLINE
RECEPTOR
M1,ENDOLYSIN,MUSCARI
NIC ACETYLCHOLINE
RECEPTOR M1)		 3bxp PUTATIVE
LIPASE/ESTERASE
(Lactobacillus
plantarum) 		5 / 12 GLN A  73
TRP A  84
ALA A  12
ASN A   9
TYR A 143
 None
EPE  A 277 (-3.9A)
None
None
None
 1.39A 5cxvA-3bxpA:
undetectable		 5cxvA-3bxpA:
19.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5CZ7_V_BO2V301_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-3)		 3lez BETA-LACTAMASE
(Oceanobacillus
iheyensis) 		5 / 12 SER A 278
ALA A 250
GLY A 251
ALA A  82
THR A  84
 None
EPE  A 305 ( 4.1A)
None
None
None
 1.15A 5cz7V-3lezA:
undetectable
5cz7W-3lezA:
undetectable		 5cz7V-3lezA:
24.65
5cz7W-3lezA:
21.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5DV4_A_NMYA601_2
(CCR4-NOT
TRANSCRIPTION
COMPLEX SUBUNIT
6-LIKE)		 3w5f BETA-GALACTOSIDASE
(Solanum
lycopersicum) 		3 / 3 GLU A  72
TRP A 252
ASN A 180
 CL  A 807 (-4.5A)
EPE  A 804 (-4.0A)
None
 1.04A 5dv4A-3w5fA:
undetectable		 5dv4A-3w5fA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ECN_A_LEUA602_0
(JASMONIC ACID-AMIDO
SYNTHETASE JAR1)		 4grv NEUROTENSIN RECEPTOR
TYPE 1, LYSOZYME
CHIMERA
(Rattus
norvegicus;
Escherichia
virus
T4) 		4 / 7 THR A1026
TYR A1018
GLU A1011
HIS A1031
 None
None
EPE  A 602 ( 4.8A)
None
 1.02A 5ecnA-4grvA:
undetectable		 5ecnA-4grvA:
21.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ECN_A_LEUA602_0
(JASMONIC ACID-AMIDO
SYNTHETASE JAR1)		 4xee NEUROTENSIN RECEPTOR
TYPE 1, ENDOLYSIN
CHIMERA
(Rattus
norvegicus;
Escherichia
virus
T4) 		4 / 7 THR A1026
TYR A1018
GLU A1011
HIS A1031
 None
None
EPE  A1203 ( 4.3A)
None
 1.06A 5ecnA-4xeeA:
undetectable		 5ecnA-4xeeA:
21.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ENT_C_MIYC901_1
(MULTIDRUG EFFLUX
PUMP SUBUNIT
ACRB,MULTIDRUG
EFFLUX PUMP SUBUNIT
ACRB)		 4xzw ENDO-GLUCANASE
CHIMERA C10
(Geobacillus
sp.
70PC53;
uncultured
bacterium) 		5 / 9 SER A  33
GLY A 176
SER A 181
GLU A 142
ALA A 157
 None
None
None
EPE  A 404 (-3.3A)
None
 1.44A 5entC-4xzwA:
undetectable		 5entC-4xzwA:
20.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EQB_A_1YNA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 5w1u CARBOXYLIC ESTER
HYDROLASE
(Culex
quinquefasciatus) 		5 / 12 GLY A 439
GLY A 114
GLY A 109
LEU A 327
THR A 440
 None
None
EPE  A 600 (-3.0A)
MLI  A 601 (-4.6A)
None
 0.97A 5eqbA-5w1uA:
undetectable		 5eqbA-5w1uA:
21.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ERG_B_SAMB401_1
(TRNA
(ADENINE(58)-N(1))-M
ETHYLTRANSFERASE
CATALYTIC SUBUNIT
TRM61)		 3wiw GLYCOSYL HYDROLASE
FAMILY 88
(Pedobacter
heparinus) 		4 / 7 GLY A  76
GLY A  80
PHE A 119
ASP A 116
 None
None
None
EPE  A 501 (-2.8A)
 0.81A 5ergB-3wiwA:
undetectable		 5ergB-3wiwA:
21.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EWJ_D_QELD503_1
(NMDA GLUTAMATE
RECEPTOR SUBUNIT
GLUTAMATE RECEPTOR
IONOTROPIC, NMDA 2B)		 4nzy PROBABLE THYMIDYLATE
KINASE
(Sulfurisphaera
tokodaii) 		5 / 12 TYR A  35
ILE A  88
PHE A  87
THR A  97
GLU A  10
 EPE  A 301 (-4.2A)
None
None
EDO  A 310 ( 4.9A)
None
 1.30A 5ewjC-4nzyA:
3.9
5ewjD-4nzyA:
2.2		 5ewjC-4nzyA:
19.57
5ewjD-4nzyA:
21.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5FSA_B_X2NB590_2
(CYP51 VARIANT1)		 1n9b BETA-LACTAMASE SHV-2
(Klebsiella
pneumoniae) 		3 / 3 PRO A 107
LEU A 122
SER A 130
 None
None
EPE  A 400 (-2.5A)
 0.78A 5fsaB-1n9bA:
0.0		 5fsaB-1n9bA:
18.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5GHY_A_CEDA301_1
(BETA-LACTAMASE)		 1n9b BETA-LACTAMASE SHV-2
(Klebsiella
pneumoniae) 		8 / 12 SER A  70
SER A 130
ASN A 132
ASN A 170
LYS A 234
GLY A 236
ALA A 237
ARG A 244
 EPE  A 400 (-3.7A)
EPE  A 400 (-2.5A)
None
None
EPE  A 400 (-3.1A)
EPE  A 400 (-3.1A)
EPE  A 400 (-4.0A)
MA4  A 310 ( 3.8A)
 0.75A 5ghyA-1n9bA:
34.6		 5ghyA-1n9bA:
37.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5GHY_A_CEDA301_1
(BETA-LACTAMASE)		 1n9b BETA-LACTAMASE SHV-2
(Klebsiella
pneumoniae) 		6 / 12 SER A  70
TYR A 105
ASN A 132
ASN A 170
GLY A 236
ARG A 244
 EPE  A 400 (-3.7A)
EPE  A 400 (-3.6A)
None
None
EPE  A 400 (-3.1A)
MA4  A 310 ( 3.8A)
 1.40A 5ghyA-1n9bA:
34.6		 5ghyA-1n9bA:
37.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5GHY_A_CEDA301_1
(BETA-LACTAMASE)		 3lez BETA-LACTAMASE
(Oceanobacillus
iheyensis) 		9 / 12 SER A  85
SER A 143
ASN A 145
ASN A 183
LYS A 247
GLY A 249
ALA A 250
ARG A 256
TYR A 286
 EPE  A 305 (-3.4A)
EPE  A 305 (-2.5A)
None
None
EPE  A 305 (-3.1A)
EPE  A 305 (-3.4A)
EPE  A 305 ( 4.1A)
EPE  A 305 (-3.7A)
None
 0.52A 5ghyA-3lezA:
44.1		 5ghyA-3lezA:
56.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5GHY_B_CEDB301_1
(BETA-LACTAMASE)		 1n9b BETA-LACTAMASE SHV-2
(Klebsiella
pneumoniae) 		8 / 12 SER A  70
SER A 130
ASN A 132
ASN A 170
LYS A 234
GLY A 236
ALA A 237
ARG A 244
 EPE  A 400 (-3.7A)
EPE  A 400 (-2.5A)
None
None
EPE  A 400 (-3.1A)
EPE  A 400 (-3.1A)
EPE  A 400 (-4.0A)
MA4  A 310 ( 3.8A)
 0.72A 5ghyB-1n9bA:
34.8		 5ghyB-1n9bA:
37.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5GHY_B_CEDB301_1
(BETA-LACTAMASE)		 1n9b BETA-LACTAMASE SHV-2
(Klebsiella
pneumoniae) 		6 / 12 SER A  70
TYR A 105
ASN A 132
ASN A 170
GLY A 236
ARG A 244
 EPE  A 400 (-3.7A)
EPE  A 400 (-3.6A)
None
None
EPE  A 400 (-3.1A)
MA4  A 310 ( 3.8A)
 1.34A 5ghyB-1n9bA:
34.8		 5ghyB-1n9bA:
37.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5GHY_B_CEDB301_1
(BETA-LACTAMASE)		 3lez BETA-LACTAMASE
(Oceanobacillus
iheyensis) 		9 / 12 SER A  85
SER A 143
ASN A 145
ASN A 183
LYS A 247
GLY A 249
ALA A 250
ARG A 256
TYR A 286
 EPE  A 305 (-3.4A)
EPE  A 305 (-2.5A)
None
None
EPE  A 305 (-3.1A)
EPE  A 305 (-3.4A)
EPE  A 305 ( 4.1A)
EPE  A 305 (-3.7A)
None
 0.50A 5ghyB-3lezA:
44.0		 5ghyB-3lezA:
56.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5GHZ_A_CEDA301_1
(BETA-LACTAMASE)		 1n9b BETA-LACTAMASE SHV-2
(Klebsiella
pneumoniae) 		10 / 11 SER A  70
TYR A 105
SER A 130
ASN A 132
ASN A 170
LYS A 234
THR A 235
GLY A 236
ALA A 237
ARG A 244
 EPE  A 400 (-3.7A)
EPE  A 400 (-3.6A)
EPE  A 400 (-2.5A)
None
None
EPE  A 400 (-3.1A)
EPE  A 400 (-3.8A)
EPE  A 400 (-3.1A)
EPE  A 400 (-4.0A)
MA4  A 310 ( 3.8A)
 0.69A 5ghzA-1n9bA:
34.9		 5ghzA-1n9bA:
37.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5GHZ_A_CEDA301_1
(BETA-LACTAMASE)		 3lez BETA-LACTAMASE
(Oceanobacillus
iheyensis) 		10 / 11 SER A  85
TYR A 118
SER A 143
ASN A 145
ASN A 183
LYS A 247
THR A 248
GLY A 249
ALA A 250
ARG A 256
 EPE  A 305 (-3.4A)
EPE  A 305 (-3.3A)
EPE  A 305 (-2.5A)
None
None
EPE  A 305 (-3.1A)
EPE  A 305 (-3.6A)
EPE  A 305 (-3.4A)
EPE  A 305 ( 4.1A)
EPE  A 305 (-3.7A)
 0.47A 5ghzA-3lezA:
44.2		 5ghzA-3lezA:
56.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5GHZ_B_CEDB301_1
(BETA-LACTAMASE)		 1n9b BETA-LACTAMASE SHV-2
(Klebsiella
pneumoniae) 		9 / 10 SER A  70
TYR A 105
SER A 130
ASN A 132
ASN A 170
LYS A 234
THR A 235
GLY A 236
ARG A 244
 EPE  A 400 (-3.7A)
EPE  A 400 (-3.6A)
EPE  A 400 (-2.5A)
None
None
EPE  A 400 (-3.1A)
EPE  A 400 (-3.8A)
EPE  A 400 (-3.1A)
MA4  A 310 ( 3.8A)
 0.72A 5ghzB-1n9bA:
34.8		 5ghzB-1n9bA:
37.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5GHZ_B_CEDB301_1
(BETA-LACTAMASE)		 3lez BETA-LACTAMASE
(Oceanobacillus
iheyensis) 		9 / 10 SER A  85
TYR A 118
SER A 143
ASN A 145
ASN A 183
LYS A 247
THR A 248
GLY A 249
ARG A 256
 EPE  A 305 (-3.4A)
EPE  A 305 (-3.3A)
EPE  A 305 (-2.5A)
None
None
EPE  A 305 (-3.1A)
EPE  A 305 (-3.6A)
EPE  A 305 (-3.4A)
EPE  A 305 (-3.7A)
 0.51A 5ghzB-3lezA:
44.1		 5ghzB-3lezA:
56.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5GSM_A_GCSA801_1
(EXO-BETA-D-GLUCOSAMI
NIDASE)		 3w5f BETA-GALACTOSIDASE
(Solanum
lycopersicum) 		6 / 12 TYR A  74
CYH A 118
GLU A 120
GLU A 181
GLU A 250
TYR A 289
 CL  A 807 (-4.2A)
EPE  A 804 ( 3.7A)
EPE  A 804 (-3.4A)
EPE  A 804 (-3.3A)
EPE  A 804 (-3.8A)
EPE  A 804 (-3.9A)
 0.61A 5gsmA-3w5fA:
30.4		 5gsmA-3w5fA:
22.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5GSM_B_GCSB801_1
(EXO-BETA-D-GLUCOSAMI
NIDASE)		 3w5f BETA-GALACTOSIDASE
(Solanum
lycopersicum) 		6 / 12 TYR A  74
CYH A 118
GLU A 120
GLU A 181
GLU A 250
TYR A 289
 CL  A 807 (-4.2A)
EPE  A 804 ( 3.7A)
EPE  A 804 (-3.4A)
EPE  A 804 (-3.3A)
EPE  A 804 (-3.8A)
EPE  A 804 (-3.9A)
 0.60A 5gsmB-3w5fA:
20.1		 5gsmB-3w5fA:
22.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HFJ_C_SAMC301_0
(ADENINE SPECIFIC DNA
METHYLTRANSFERASE
(DPNA))		 4xzw ENDO-GLUCANASE
CHIMERA C10
(uncultured
bacterium;
Geobacillus
sp.
70PC53) 		5 / 12 ASP A 185
THR A 207
GLN A 246
PHE A 211
GLY A 209
 None
EPE  A 404 (-4.0A)
None
None
None
 1.12A 5hfjC-4xzwA:
undetectable		 5hfjC-4xzwA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HWA_A_GCSA303_1
(CHITOSANASE)		 2eyq TRANSCRIPTION-REPAIR
COUPLING FACTOR
(Escherichia
coli) 		4 / 5 ASP A 949
HIS A 948
GLY A 942
ALA A 941
 None
None
EPE  A1151 (-2.7A)
EPE  A1151 (-4.1A)
 0.93A 5hwaA-2eyqA:
undetectable		 5hwaA-2eyqA:
11.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5I71_A_68PA701_1
(SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER)		 1jji CARBOXYLESTERASE
(Archaeoglobus
fulgidus) 		5 / 12 TYR A  16
ILE A  36
ALA A  35
TYR A  32
GLY A  88
 None
None
None
None
EPE  A 455 (-3.7A)
 0.93A 5i71A-1jjiA:
undetectable		 5i71A-1jjiA:
20.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5I73_A_68PA701_1
(SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER)		 1jji CARBOXYLESTERASE
(Archaeoglobus
fulgidus) 		5 / 12 TYR A  16
ILE A  36
ALA A  35
TYR A  32
GLY A  88
 None
None
None
None
EPE  A 455 (-3.7A)
 0.92A 5i73A-1jjiA:
undetectable		 5i73A-1jjiA:
20.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5I75_A_68PA701_1
(SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER)		 1jji CARBOXYLESTERASE
(Archaeoglobus
fulgidus) 		5 / 12 TYR A  16
ILE A  36
ALA A  35
TYR A  32
GLY A  88
 None
None
None
None
EPE  A 455 (-3.7A)
 0.94A 5i75A-1jjiA:
0.0		 5i75A-1jjiA:
20.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IH0_A_ERYA404_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E II)		 3i4g SUSD-LIKE
CARBOHYDRATE BINDING
PROTEIN BF1063
(Bacteroides
fragilis) 		4 / 6 ASP A  83
ILE A  72
TYR A  68
TYR A  60
 None
None
None
EPE  A   1 (-4.6A)
 1.29A 5ih0A-3i4gA:
undetectable		 5ih0A-3i4gA:
18.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IY5_C_CHDC301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3ec7 PUTATIVE
DEHYDROGENASE
(Salmonella
enterica) 		4 / 7 HIS A 176
ASP A 277
TYR A 129
HIS A 155
 EPE  A 401 (-4.0A)
None
None
EPE  A 401 (-4.4A)
 1.11A 5iy5A-3ec7A:
undetectable
5iy5C-3ec7A:
undetectable		 5iy5A-3ec7A:
20.73
5iy5C-3ec7A:
19.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IY5_P_CHDP301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3ec7 PUTATIVE
DEHYDROGENASE
(Salmonella
enterica) 		4 / 8 HIS A 176
ASP A 277
TYR A 129
HIS A 155
 EPE  A 401 (-4.0A)
None
None
EPE  A 401 (-4.4A)
 1.10A 5iy5C-3ec7A:
undetectable
5iy5N-3ec7A:
undetectable
5iy5P-3ec7A:
undetectable		 5iy5C-3ec7A:
19.34
5iy5N-3ec7A:
20.73
5iy5P-3ec7A:
19.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IY5_P_CHDP307_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 4d7q RALF,
PROLINE/BETAINE
TRANSPORTER
(Legionella
pneumophila;
Rickettsia
prowazekii) 		4 / 5 LEU A 110
PHE A 114
LEU A 100
PHE A 196
 None
None
None
EPE  A1347 (-3.5A)
 1.18A 5iy5P-4d7qA:
undetectable
5iy5W-4d7qA:
undetectable		 5iy5P-4d7qA:
20.54
5iy5W-4d7qA:
10.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5JGL_B_SAMB301_0
(UBIE/COQ5 FAMILY
METHYLTRANSFERASE,
PUTATIVE)		 5v36 GLUTATHIONE
REDUCTASE
(Streptococcus
mutans) 		5 / 12 THR A 170
ALA A 188
GLY A 184
ALA A  60
GLY A 190
 None
None
None
None
EPE  A 526 (-3.8A)
 1.36A 5jglB-5v36A:
undetectable		 5jglB-5v36A:
21.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5JKV_A_ASDA602_1
(AROMATASE)		 4wzh DIHYDROOROTATE
DEHYDROGENASE
(Leishmania
braziliensis) 		5 / 12 PHE A  96
ILE A 246
ALA A 266
VAL A   5
LEU A   8
 None
None
None
None
EPE  A 402 (-4.7A)
 1.15A 5jkvA-4wzhA:
undetectable		 5jkvA-4wzhA:
21.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5KQY_B_017B101_1
(PROTEASE E35D-DRV)		 2ynm LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE
IRON-SULFUR
ATP-BINDING PROTEIN
LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT N
(Prochlorococcus
marinus) 		5 / 12 LEU A  87
ALA C  71
GLY A 126
VAL A  83
ILE A  84
 None
None
SF4  A1302 (-3.9A)
None
EPE  A1298 (-4.9A)
 0.94A 5kqyA-2ynmA:
undetectable		 5kqyA-2ynmA:
18.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5L0Z_A_SAMA304_0
(PROBABLE RNA
METHYLTRANSFERASE,
TRMH FAMILY)		 5za2 BETA-LACTAMASE
(Escherichia
coli) 		6 / 12 THR A 318
GLY A 320
GLY A 202
ILE A  62
LEU A 338
ALA A 323
 EPE  A 405 (-4.1A)
None
None
None
None
None
 1.39A 5l0zA-5za2A:
undetectable		 5l0zA-5za2A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5L4I_A_6J3A201_0
(TRANSTHYRETIN)		 2eyq TRANSCRIPTION-REPAIR
COUPLING FACTOR
(Escherichia
coli) 		4 / 6 LEU A 939
ALA A 910
LEU A 784
SER A 906
 EPE  A1151 (-4.0A)
None
None
EPE  A1152 (-2.8A)
 0.97A 5l4iA-2eyqA:
undetectable		 5l4iA-2eyqA:
8.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5L4I_B_6J3B201_0
(TRANSTHYRETIN)		 2eyq TRANSCRIPTION-REPAIR
COUPLING FACTOR
(Escherichia
coli) 		4 / 6 LEU A 939
ALA A 910
LEU A 784
SER A 906
 EPE  A1151 (-4.0A)
None
None
EPE  A1152 (-2.8A)
 0.99A 5l4iB-2eyqA:
undetectable		 5l4iB-2eyqA:
8.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5L5F_H_BO2H301_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-3)		 3lez BETA-LACTAMASE
(Oceanobacillus
iheyensis) 		5 / 12 SER A 278
ALA A 250
GLY A 251
ALA A  82
THR A  84
 None
EPE  A 305 ( 4.1A)
None
None
None
 1.17A 5l5fH-3lezA:
undetectable
5l5fI-3lezA:
undetectable		 5l5fH-3lezA:
24.65
5l5fI-3lezA:
21.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5L5F_V_BO2V301_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-3)		 3lez BETA-LACTAMASE
(Oceanobacillus
iheyensis) 		5 / 12 SER A 278
ALA A 250
GLY A 251
ALA A  82
THR A  84
 None
EPE  A 305 ( 4.1A)
None
None
None
 1.17A 5l5fV-3lezA:
undetectable
5l5fW-3lezA:
undetectable		 5l5fV-3lezA:
24.65
5l5fW-3lezA:
21.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5L5Z_H_BO2H301_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-3)		 3lez BETA-LACTAMASE
(Oceanobacillus
iheyensis) 		5 / 12 SER A 278
ALA A 250
GLY A 251
ALA A  82
THR A  84
 None
EPE  A 305 ( 4.1A)
None
None
None
 1.19A 5l5zH-3lezA:
undetectable
5l5zI-3lezA:
undetectable		 5l5zH-3lezA:
24.65
5l5zI-3lezA:
21.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5L5Z_V_BO2V301_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-3)		 3lez BETA-LACTAMASE
(Oceanobacillus
iheyensis) 		5 / 12 SER A 278
ALA A 250
GLY A 251
ALA A  82
THR A  84
 None
EPE  A 305 ( 4.1A)
None
None
None
 1.18A 5l5zV-3lezA:
undetectable
5l5zW-3lezA:
undetectable		 5l5zV-3lezA:
24.65
5l5zW-3lezA:
21.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5LG3_I_Z80I401_1
(GAMMA-AMINOBUTYRIC-A
CID RECEPTOR SUBUNIT
BETA-1)		 2ynm LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE
IRON-SULFUR
ATP-BINDING PROTEIN
(Prochlorococcus
marinus) 		4 / 9 VAL A 206
THR A 175
ASN A 177
ILE A 217
 None
None
EPE  A1297 (-4.0A)
None
 0.97A 5lg3I-2ynmA:
undetectable		 5lg3I-2ynmA:
19.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5M0O_A_EPAA502_1
(TERMINAL
OLEFIN-FORMING FATTY
ACID DECARBOXYLASE)		 4zdn AT-LESS POLYKETIDE
SYNTHASE
(Streptomyces
platensis) 		5 / 10 ILE A 632
PHE A 630
PRO A 634
ALA A 637
PHE A 625
 None
EPE  A1201 (-4.8A)
None
None
None
 1.24A 5m0oA-4zdnA:
undetectable		 5m0oA-4zdnA:
19.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5N4I_A_SAMA501_1
(PEPTIDE
N-METHYLTRANSFERASE)		 1sb3 4-HYDROXYBENZOYL-COA
REDUCTASE ALPHA
SUBUNIT
(Thauera
aromatica) 		4 / 5 TYR A 326
SER A 613
ALA A 614
THR A 450
 None
None
EPE  A1111 ( 4.1A)
EPE  A1111 ( 4.6A)
 1.08A 5n4iA-1sb3A:
undetectable		 5n4iA-1sb3A:
20.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5N4T_A_BEZA507_0
(BETA-LACTAMASE VIM-2)		 1sb3 4-HYDROXYBENZOYL-COA
REDUCTASE ALPHA
SUBUNIT
(Thauera
aromatica) 		3 / 3 THR A 450
HIS A 459
ASN A 518
 EPE  A1111 ( 4.6A)
EPE  A1111 (-4.7A)
None
 0.98A 5n4tA-1sb3A:
undetectable		 5n4tA-1sb3A:
15.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NCD_D_ACTD301_0
(PEPTIDOGLYCAN
N-ACETYLGLUCOSAMINE
DEACETYLASE)		 3jyf 2',3'-CYCLIC
NUCLEOTIDE
2'-PHOSPHODIESTERASE
/3'-NUCLEOTIDASE
BIFUNCTIONAL
PERIPLASMIC PROTEIN
(Klebsiella
pneumoniae) 		4 / 4 ASP A  61
HIS A 210
HIS A 242
HIS A 102
 MN  A 342 (-2.9A)
MN  A 342 (-3.5A)
MN  A 342 ( 3.5A)
EPE  A 341 ( 3.6A)
 1.48A 5ncdD-3jyfA:
undetectable		 5ncdD-3jyfA:
21.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5OH1_C_9UQC202_0
(CEREBLON ISOFORM 4)		 3b1e BETAC-S LYASE
(Streptococcus
anginosus) 		4 / 8 ASN A 250
PRO A 251
GLU A  86
TYR A  81
 None
None
EPE  A 503 (-3.8A)
None
 1.19A 5oh1C-3b1eA:
undetectable		 5oh1C-3b1eA:
15.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5OM3_B_DXTB501_1
(ALPHA-1-ANTICHYMOTRY
PSIN)		 3jyf 2',3'-CYCLIC
NUCLEOTIDE
2'-PHOSPHODIESTERASE
/3'-NUCLEOTIDASE
BIFUNCTIONAL
PERIPLASMIC PROTEIN
(Klebsiella
pneumoniae) 		4 / 6 LEU A 111
PHE A 104
ASP A 173
HIS A 210
 None
None
EPE  A 341 ( 4.8A)
MN  A 342 (-3.5A)
 1.17A 5om3A-3jyfA:
undetectable
5om3B-3jyfA:
undetectable		 5om3A-3jyfA:
10.87
5om3B-3jyfA:
12.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5SYI_A_NIZA805_1
(CATALASE-PEROXIDASE)		 1fjj HYPOTHETICAL 17.1
KDA PROTEIN IN
MODC-BIOA INTERGENIC
REGION
(Escherichia
coli) 		4 / 5 TRP A  61
HIS A  63
ALA A 106
PRO A 109
 EPE  A 206 (-3.4A)
EPE  A 206 (-4.2A)
None
EPE  A 206 (-4.1A)
 1.46A 5syiA-1fjjA:
undetectable		 5syiA-1fjjA:
13.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5T7B_A_IPHA902_0
(PROTEIN ARGONAUTE-2)		 4pmr TAT-SECRETED PROTEIN
RV2525C
(Mycobacterium
tuberculosis) 		4 / 7 LEU A 127
TYR A  65
LYS A  79
PRO A  80
 None
None
EPE  A 301 (-2.8A)
None
 1.08A 5t7bA-4pmrA:
undetectable		 5t7bA-4pmrA:
12.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5UXC_A_ZITA306_1
(PREDICTED
AMINOGLYCOSIDE
PHOSPHOTRANSFERASE)		 4us5 LUCIFERASE-LIKE
MONOOXYGENASE
(Streptomyces
bottropensis) 		4 / 7 ARG A  38
PHE A  39
ARG A 334
ASP A  32
 EPE  A1341 (-3.0A)
None
None
None
 1.25A 5uxcA-4us5A:
undetectable		 5uxcA-4us5A:
24.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5V0I_A_TRPA402_0
(TRYPTOPHAN--TRNA
LIGASE)		 4krt AUTOLYTIC LYSOZYME
(Clostridium
phage
phiSM101) 		5 / 9 GLY A 190
MET A 193
ASP A 192
ILE A  12
VAL A 187
 None
None
EPE  A 401 (-3.3A)
None
None
 1.43A 5v0iA-4krtA:
undetectable		 5v0iA-4krtA:
20.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5V0I_B_TRPB402_0
(TRYPTOPHAN--TRNA
LIGASE)		 4krt AUTOLYTIC LYSOZYME
(Clostridium
phage
phiSM101) 		5 / 9 GLY A 190
MET A 193
ASP A 192
ILE A  12
VAL A 187
 None
None
EPE  A 401 (-3.3A)
None
None
 1.46A 5v0iB-4krtA:
undetectable		 5v0iB-4krtA:
20.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5V4V_A_NCAA402_0
(NADPH DEHYDROGENASE
3)		 4rnw NADPH DEHYDROGENASE
1
(Saccharomyces
pastorianus) 		7 / 8 THR A 136
TRP A 215
HIS A 290
ASN A 293
TYR A 295
PHE A 349
TYR A  75
 FMN  A 401 (-3.7A)
None
FMN  A 401 ( 3.5A)
EDO  A 403 ( 3.7A)
EPE  A 402 (-4.4A)
EDO  A 403 ( 3.9A)
EPE  A 402 ( 3.7A)
 0.38A 5v4vA-4rnwA:
9.4		 5v4vA-4rnwA:
60.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5V4V_B_NCAB402_0
(NADPH DEHYDROGENASE
3)		 4rnw NADPH DEHYDROGENASE
1
(Saccharomyces
pastorianus) 		7 / 8 THR A 136
TRP A 215
HIS A 290
ASN A 293
TYR A 295
PHE A 349
TYR A  75
 FMN  A 401 (-3.7A)
None
FMN  A 401 ( 3.5A)
EDO  A 403 ( 3.7A)
EPE  A 402 (-4.4A)
EDO  A 403 ( 3.9A)
EPE  A 402 ( 3.7A)
 0.37A 5v4vB-4rnwA:
7.9		 5v4vB-4rnwA:
60.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VEU_A_RITA602_1
(CYTOCHROME P450 3A5)		 5v36 GLUTATHIONE
REDUCTASE
(Streptococcus
mutans) 		5 / 12 SER A 191
PHE A 160
ILE A 166
ALA A 165
GLY A 154
 None
None
EPE  A 526 (-4.5A)
None
None
 1.11A 5veuA-5v36A:
undetectable		 5veuA-5v36A:
22.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VKQ_A_PCFA1803_0
(NO MECHANORECEPTOR
POTENTIAL C ISOFORM
L)		 2ww8 CELL WALL SURFACE
ANCHOR FAMILY
PROTEIN
(Streptococcus
pneumoniae) 		5 / 10 ILE A 193
ILE A 206
LEU A 208
ILE A 160
ASN A 178
 None
None
None
None
EPE  A1101 ( 4.8A)
 1.16A 5vkqA-2ww8A:
undetectable
5vkqD-2ww8A:
undetectable		 5vkqA-2ww8A:
18.93
5vkqD-2ww8A:
18.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VKQ_B_PCFB1808_0
(NO MECHANORECEPTOR
POTENTIAL C ISOFORM
L)		 2ww8 CELL WALL SURFACE
ANCHOR FAMILY
PROTEIN
(Streptococcus
pneumoniae) 		5 / 10 ILE A 160
ASN A 178
ILE A 193
ILE A 206
LEU A 208
 None
EPE  A1101 ( 4.8A)
None
None
None
 1.17A 5vkqA-2ww8A:
undetectable
5vkqB-2ww8A:
undetectable		 5vkqA-2ww8A:
18.93
5vkqB-2ww8A:
18.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VKQ_D_PCFD1801_0
(NO MECHANORECEPTOR
POTENTIAL C ISOFORM
L)		 2ww8 CELL WALL SURFACE
ANCHOR FAMILY
PROTEIN
(Streptococcus
pneumoniae) 		5 / 10 ILE A 160
ASN A 178
ILE A 193
ILE A 206
LEU A 208
 None
EPE  A1101 ( 4.8A)
None
None
None
 1.14A 5vkqC-2ww8A:
undetectable
5vkqD-2ww8A:
undetectable		 5vkqC-2ww8A:
18.93
5vkqD-2ww8A:
18.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5W97_C_CHDC301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3ec7 PUTATIVE
DEHYDROGENASE
(Salmonella
enterica) 		4 / 8 HIS A 176
ASP A 277
TYR A 129
HIS A 155
 EPE  A 401 (-4.0A)
None
None
EPE  A 401 (-4.4A)
 1.06A 5w97A-3ec7A:
undetectable
5w97C-3ec7A:
undetectable
5w97c-3ec7A:
undetectable		 5w97A-3ec7A:
20.73
5w97C-3ec7A:
19.29
5w97c-3ec7A:
19.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5W97_C_CHDC302_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3ec7 PUTATIVE
DEHYDROGENASE
(Salmonella
enterica) 		4 / 7 HIS A 176
ASP A 277
TYR A 129
HIS A 155
 EPE  A 401 (-4.0A)
None
None
EPE  A 401 (-4.4A)
 1.07A 5w97C-3ec7A:
undetectable
5w97a-3ec7A:
undetectable
5w97c-3ec7A:
undetectable		 5w97C-3ec7A:
19.29
5w97a-3ec7A:
20.73
5w97c-3ec7A:
19.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5W97_C_CHDC306_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 4d7q RALF,
PROLINE/BETAINE
TRANSPORTER
(Legionella
pneumophila;
Rickettsia
prowazekii) 		4 / 6 LEU A 110
PHE A 114
LEU A 100
PHE A 196
 None
None
None
EPE  A1347 (-3.5A)
 1.13A 5w97C-4d7qA:
undetectable
5w97J-4d7qA:
undetectable		 5w97C-4d7qA:
19.79
5w97J-4d7qA:
10.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5WAU_C_CHDC301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3ec7 PUTATIVE
DEHYDROGENASE
(Salmonella
enterica) 		4 / 8 HIS A 176
ASP A 277
TYR A 129
HIS A 155
 EPE  A 401 (-4.0A)
None
None
EPE  A 401 (-4.4A)
 1.10A 5wauA-3ec7A:
undetectable
5wauC-3ec7A:
undetectable
5wauc-3ec7A:
undetectable		 5wauA-3ec7A:
20.73
5wauC-3ec7A:
19.29
5wauc-3ec7A:
19.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5WAU_C_CHDC303_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3ec7 PUTATIVE
DEHYDROGENASE
(Salmonella
enterica) 		4 / 7 HIS A 176
ASP A 277
TYR A 129
HIS A 155
 EPE  A 401 (-4.0A)
None
None
EPE  A 401 (-4.4A)
 1.12A 5wauC-3ec7A:
undetectable
5waua-3ec7A:
undetectable
5wauc-3ec7A:
undetectable		 5wauC-3ec7A:
19.29
5waua-3ec7A:
20.73
5wauc-3ec7A:
19.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X19_P_CHDP306_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3ec7 PUTATIVE
DEHYDROGENASE
(Salmonella
enterica) 		4 / 6 HIS A 176
ASP A 277
TYR A 129
HIS A 155
 EPE  A 401 (-4.0A)
None
None
EPE  A 401 (-4.4A)
 1.08A 5x19N-3ec7A:
undetectable
5x19P-3ec7A:
undetectable		 5x19N-3ec7A:
20.73
5x19P-3ec7A:
19.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X1B_C_CHDC305_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3ec7 PUTATIVE
DEHYDROGENASE
(Salmonella
enterica) 		4 / 7 HIS A 176
ASP A 277
TYR A 129
HIS A 155
 EPE  A 401 (-4.0A)
None
None
EPE  A 401 (-4.4A)
 1.10A 5x1bA-3ec7A:
undetectable
5x1bC-3ec7A:
undetectable
5x1bP-3ec7A:
undetectable		 5x1bA-3ec7A:
20.73
5x1bC-3ec7A:
19.29
5x1bP-3ec7A:
19.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X1B_P_CHDP306_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3ec7 PUTATIVE
DEHYDROGENASE
(Salmonella
enterica) 		4 / 6 HIS A 176
ASP A 277
TYR A 129
HIS A 155
 EPE  A 401 (-4.0A)
None
None
EPE  A 401 (-4.4A)
 1.08A 5x1bN-3ec7A:
undetectable
5x1bP-3ec7A:
undetectable		 5x1bN-3ec7A:
20.73
5x1bP-3ec7A:
19.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X1F_C_CHDC304_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 4d7q RALF,
PROLINE/BETAINE
TRANSPORTER
(Legionella
pneumophila;
Rickettsia
prowazekii) 		4 / 5 LEU A 110
PHE A 114
LEU A 100
PHE A 196
 None
None
None
EPE  A1347 (-3.5A)
 1.17A 5x1fC-4d7qA:
undetectable
5x1fJ-4d7qA:
undetectable		 5x1fC-4d7qA:
19.79
5x1fJ-4d7qA:
10.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X1F_C_CHDC305_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3ec7 PUTATIVE
DEHYDROGENASE
(Salmonella
enterica) 		4 / 7 HIS A 176
ASP A 277
TYR A 129
HIS A 155
 EPE  A 401 (-4.0A)
None
None
EPE  A 401 (-4.4A)
 1.09A 5x1fA-3ec7A:
undetectable
5x1fC-3ec7A:
undetectable
5x1fP-3ec7A:
undetectable		 5x1fA-3ec7A:
20.73
5x1fC-3ec7A:
19.29
5x1fP-3ec7A:
19.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X1F_P_CHDP305_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3ec7 PUTATIVE
DEHYDROGENASE
(Salmonella
enterica) 		4 / 7 HIS A 176
ASP A 277
TYR A 129
HIS A 155
 EPE  A 401 (-4.0A)
None
None
EPE  A 401 (-4.4A)
 1.09A 5x1fN-3ec7A:
undetectable
5x1fP-3ec7A:
undetectable		 5x1fN-3ec7A:
20.73
5x1fP-3ec7A:
19.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X23_A_LSNA502_1
(CYTOCHROME P450 2C9)		 1jji CARBOXYLESTERASE
(Archaeoglobus
fulgidus) 		5 / 12 ALA A 234
VAL A 130
GLY A 162
LEU A 210
LEU A 257
 None
None
None
None
EPE  A 455 (-4.9A)
 1.17A 5x23A-1jjiA:
undetectable		 5x23A-1jjiA:
19.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X6Y_A_SAMA901_0
(MRNA CAPPING ENZYME
P5)		 3pgv HALOACID
DEHALOGENASE-LIKE
HYDROLASE
(Klebsiella
pneumoniae) 		5 / 11 GLY A 192
ASP A   8
ALA A  41
SER A 190
ASN A 217
 None
CA  A 267 ( 2.6A)
None
None
EPE  A 268 (-3.1A)
 1.19A 5x6yA-3pgvA:
3.5		 5x6yA-3pgvA:
15.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X6Y_B_SAMB901_0
(MRNA CAPPING ENZYME
P5)		 3pgv HALOACID
DEHALOGENASE-LIKE
HYDROLASE
(Klebsiella
pneumoniae) 		5 / 10 GLY A 192
ASP A   8
ALA A  41
SER A 190
ASN A 217
 None
CA  A 267 ( 2.6A)
None
None
EPE  A 268 (-3.1A)
 1.20A 5x6yB-3pgvA:
2.5		 5x6yB-3pgvA:
15.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5XDQ_C_CHDC301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3ec7 PUTATIVE
DEHYDROGENASE
(Salmonella
enterica) 		4 / 8 HIS A 176
ASP A 277
TYR A 129
HIS A 155
 EPE  A 401 (-4.0A)
None
None
EPE  A 401 (-4.4A)
 1.08A 5xdqA-3ec7A:
undetectable
5xdqC-3ec7A:
undetectable
5xdqP-3ec7A:
undetectable		 5xdqA-3ec7A:
20.73
5xdqC-3ec7A:
19.29
5xdqP-3ec7A:
19.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5XDQ_P_CHDP301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3ec7 PUTATIVE
DEHYDROGENASE
(Salmonella
enterica) 		4 / 8 HIS A 176
ASP A 277
TYR A 129
HIS A 155
 EPE  A 401 (-4.0A)
None
None
EPE  A 401 (-4.4A)
 1.10A 5xdqC-3ec7A:
undetectable
5xdqN-3ec7A:
undetectable
5xdqP-3ec7A:
undetectable		 5xdqC-3ec7A:
19.29
5xdqN-3ec7A:
20.73
5xdqP-3ec7A:
19.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5XDX_P_CHDP301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3ec7 PUTATIVE
DEHYDROGENASE
(Salmonella
enterica) 		4 / 8 HIS A 176
ASP A 277
TYR A 129
HIS A 155
 EPE  A 401 (-4.0A)
None
None
EPE  A 401 (-4.4A)
 1.11A 5xdxC-3ec7A:
undetectable
5xdxN-3ec7A:
undetectable
5xdxP-3ec7A:
undetectable		 5xdxC-3ec7A:
19.13
5xdxN-3ec7A:
20.73
5xdxP-3ec7A:
19.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5YJ1_G_6ELG501_0
(PROTEIN CEREBLON)		 3w5f BETA-GALACTOSIDASE
(Solanum
lycopersicum) 		4 / 8 TRP A 255
TRP A 252
PHE A 232
HIS A  47
 None
EPE  A 804 (-4.0A)
None
CL  A 807 (-4.3A)
 1.32A 5yj1G-3w5fA:
undetectable
5yj1Y-3w5fA:
undetectable		 5yj1G-3w5fA:
9.37
5yj1Y-3w5fA:
9.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5YJ1_T_6ELT501_0
(PROTEIN CEREBLON)		 3w5f BETA-GALACTOSIDASE
(Solanum
lycopersicum) 		4 / 8 HIS A  47
TRP A 255
TRP A 252
PHE A 232
 CL  A 807 (-4.3A)
None
EPE  A 804 (-4.0A)
None
 1.25A 5yj1k-3w5fA:
undetectable
5yj1t-3w5fA:
undetectable		 5yj1k-3w5fA:
9.37
5yj1t-3w5fA:
9.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5YK2_A_ERYA501_0
(PROBABLE CONSERVED
ATP-BINDING PROTEIN
ABC TRANSPORTER)		 4uyp CELLULOSOMAL
SCAFFOLDIN ADAPTOR
PROTEIN B
(Acetivibrio
cellulolyticus) 		5 / 11 GLU B  35
GLY B   5
ASP B  17
ALA B  40
VAL B  13
 EPE  B1076 (-4.2A)
None
CA  B 201 (-2.2A)
None
None
 1.10A 5yk2A-4uypB:
undetectable		 5yk2A-4uypB:
9.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Z0J_B_DAHB98_0
(MELC
TYROSINASE)		 3jyf 2',3'-CYCLIC
NUCLEOTIDE
2'-PHOSPHODIESTERASE
/3'-NUCLEOTIDASE
BIFUNCTIONAL
PERIPLASMIC PROTEIN
(Klebsiella
pneumoniae) 		5 / 11 HIS A 244
HIS A  18
HIS A 210
VAL A 165
HIS A 102
 MN  A 340 (-3.5A)
MN  A 340 (-3.5A)
MN  A 342 (-3.5A)
None
EPE  A 341 ( 3.6A)
 1.18A 5z0jA-3jyfA:
undetectable
5z0jB-3jyfA:
undetectable		 5z0jA-3jyfA:
13.27
5z0jB-3jyfA:
12.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Z84_C_CHDC301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3ec7 PUTATIVE
DEHYDROGENASE
(Salmonella
enterica) 		4 / 8 HIS A 176
ASP A 277
TYR A 129
HIS A 155
 EPE  A 401 (-4.0A)
None
None
EPE  A 401 (-4.4A)
 1.09A 5z84A-3ec7A:
undetectable
5z84C-3ec7A:
undetectable
5z84P-3ec7A:
undetectable		 5z84A-3ec7A:
20.73
5z84C-3ec7A:
19.29
5z84P-3ec7A:
19.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Z84_P_CHDP301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3ec7 PUTATIVE
DEHYDROGENASE
(Salmonella
enterica) 		4 / 7 HIS A 176
ASP A 277
TYR A 129
HIS A 155
 EPE  A 401 (-4.0A)
None
None
EPE  A 401 (-4.4A)
 1.11A 5z84C-3ec7A:
undetectable
5z84N-3ec7A:
undetectable
5z84P-3ec7A:
undetectable		 5z84C-3ec7A:
19.29
5z84N-3ec7A:
20.73
5z84P-3ec7A:
19.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Z85_C_CHDC301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3ec7 PUTATIVE
DEHYDROGENASE
(Salmonella
enterica) 		4 / 8 HIS A 176
ASP A 277
TYR A 129
HIS A 155
 EPE  A 401 (-4.0A)
None
None
EPE  A 401 (-4.4A)
 1.10A 5z85A-3ec7A:
undetectable
5z85C-3ec7A:
undetectable
5z85P-3ec7A:
undetectable		 5z85A-3ec7A:
20.73
5z85C-3ec7A:
19.29
5z85P-3ec7A:
19.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Z85_P_CHDP301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3ec7 PUTATIVE
DEHYDROGENASE
(Salmonella
enterica) 		4 / 7 HIS A 176
ASP A 277
TYR A 129
HIS A 155
 EPE  A 401 (-4.0A)
None
None
EPE  A 401 (-4.4A)
 1.11A 5z85C-3ec7A:
undetectable
5z85N-3ec7A:
undetectable
5z85P-3ec7A:
undetectable		 5z85C-3ec7A:
19.29
5z85N-3ec7A:
20.73
5z85P-3ec7A:
19.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Z86_C_CHDC301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3ec7 PUTATIVE
DEHYDROGENASE
(Salmonella
enterica) 		4 / 8 HIS A 176
ASP A 277
TYR A 129
HIS A 155
 EPE  A 401 (-4.0A)
None
None
EPE  A 401 (-4.4A)
 1.10A 5z86A-3ec7A:
undetectable
5z86C-3ec7A:
undetectable
5z86P-3ec7A:
undetectable		 5z86A-3ec7A:
20.73
5z86C-3ec7A:
19.29
5z86P-3ec7A:
19.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Z86_P_CHDP301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3ec7 PUTATIVE
DEHYDROGENASE
(Salmonella
enterica) 		4 / 8 HIS A 176
ASP A 277
TYR A 129
HIS A 155
 EPE  A 401 (-4.0A)
None
None
EPE  A 401 (-4.4A)
 1.11A 5z86C-3ec7A:
undetectable
5z86N-3ec7A:
undetectable
5z86P-3ec7A:
undetectable		 5z86C-3ec7A:
19.29
5z86N-3ec7A:
20.73
5z86P-3ec7A:
19.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZCO_C_CHDC301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3ec7 PUTATIVE
DEHYDROGENASE
(Salmonella
enterica) 		4 / 8 HIS A 176
ASP A 277
TYR A 129
HIS A 155
 EPE  A 401 (-4.0A)
None
None
EPE  A 401 (-4.4A)
 1.11A 5zcoA-3ec7A:
undetectable
5zcoC-3ec7A:
undetectable
5zcoP-3ec7A:
undetectable		 5zcoA-3ec7A:
20.73
5zcoC-3ec7A:
19.29
5zcoP-3ec7A:
19.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZCO_P_CHDP301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3ec7 PUTATIVE
DEHYDROGENASE
(Salmonella
enterica) 		4 / 8 HIS A 176
ASP A 277
TYR A 129
HIS A 155
 EPE  A 401 (-4.0A)
None
None
EPE  A 401 (-4.4A)
 1.12A 5zcoC-3ec7A:
undetectable
5zcoN-3ec7A:
undetectable
5zcoP-3ec7A:
undetectable		 5zcoC-3ec7A:
19.29
5zcoN-3ec7A:
20.73
5zcoP-3ec7A:
19.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZCP_C_CHDC301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3ec7 PUTATIVE
DEHYDROGENASE
(Salmonella
enterica) 		4 / 8 HIS A 176
ASP A 277
TYR A 129
HIS A 155
 EPE  A 401 (-4.0A)
None
None
EPE  A 401 (-4.4A)
 1.08A 5zcpA-3ec7A:
undetectable
5zcpC-3ec7A:
undetectable
5zcpP-3ec7A:
undetectable		 5zcpA-3ec7A:
20.73
5zcpC-3ec7A:
19.29
5zcpP-3ec7A:
19.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZCP_P_CHDP301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3ec7 PUTATIVE
DEHYDROGENASE
(Salmonella
enterica) 		4 / 8 HIS A 176
ASP A 277
TYR A 129
HIS A 155
 EPE  A 401 (-4.0A)
None
None
EPE  A 401 (-4.4A)
 1.13A 5zcpC-3ec7A:
undetectable
5zcpN-3ec7A:
undetectable
5zcpP-3ec7A:
undetectable		 5zcpC-3ec7A:
19.29
5zcpN-3ec7A:
20.73
5zcpP-3ec7A:
19.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZCQ_C_CHDC301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3ec7 PUTATIVE
DEHYDROGENASE
(Salmonella
enterica) 		4 / 8 HIS A 176
ASP A 277
TYR A 129
HIS A 155
 EPE  A 401 (-4.0A)
None
None
EPE  A 401 (-4.4A)
 1.09A 5zcqA-3ec7A:
undetectable
5zcqC-3ec7A:
undetectable
5zcqP-3ec7A:
undetectable		 5zcqA-3ec7A:
20.73
5zcqC-3ec7A:
19.29
5zcqP-3ec7A:
19.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZCQ_P_CHDP301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3ec7 PUTATIVE
DEHYDROGENASE
(Salmonella
enterica) 		4 / 7 HIS A 176
ASP A 277
TYR A 129
HIS A 155
 EPE  A 401 (-4.0A)
None
None
EPE  A 401 (-4.4A)
 1.11A 5zcqN-3ec7A:
undetectable
5zcqP-3ec7A:
undetectable		 5zcqN-3ec7A:
20.73
5zcqP-3ec7A:
19.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6AG0_C_ACRC609_0
(ALPHA-AMYLASE)		 5l9w ACETOPHENONE
CARBOXYLASE DELTA
SUBUNIT
ACETOPHENONE
CARBOXYLASE GAMMA
SUBUNIT
(Aromatoleum
aromaticum;
Aromatoleum
aromaticum) 		4 / 7 GLY B 571
ASP B 621
TRP A 407
MET B 568
 EPE  A 704 ( 4.9A)
None
None
None
 1.35A 6ag0C-5l9wB:
undetectable		 6ag0C-5l9wB:
7.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6APH_A_ADNA501_1
(ADENOSYLHOMOCYSTEINA
SE)		 1evq SERINE HYDROLASE
(Alicyclobacillus
acidocaldarius) 		5 / 12 LEU A  90
THR A  92
ASP A 112
LEU A 115
GLY A  82
 None
None
None
None
EPE  A 455 (-3.5A)
 1.44A 6aphA-1evqA:
6.7		 6aphA-1evqA:
20.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6APH_A_ADNA501_1
(ADENOSYLHOMOCYSTEINA
SE)		 1evq SERINE HYDROLASE
(Alicyclobacillus
acidocaldarius) 		5 / 12 LEU A  90
THR A  92
ASP A 112
LEU A 115
GLY A  83
 None
None
None
None
EPE  A 455 (-3.3A)
 1.29A 6aphA-1evqA:
6.7		 6aphA-1evqA:
20.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B50_A_OAQA302_0
(SULFOTRANSFERASE
OXAMNIQUINE
RESISTANCE PROTEIN)		 2vmj DISSIMILATORY
COPPER-CONTAINING
NITRITE REDUCTASE
(Achromobacter
xylosoxidans) 		5 / 12 MET A  44
LEU A  53
VAL A 210
VAL A 205
THR A 214
 None
None
EPE  A1331 ( 4.6A)
None
None
 1.36A 6b50A-2vmjA:
undetectable		 6b50A-2vmjA:
22.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B5Y_B_9F2B400_1
(BETA-LACTAMASE)		 3lez BETA-LACTAMASE
(Oceanobacillus
iheyensis) 		7 / 12 SER A  85
ASN A 183
THR A 229
LYS A 247
THR A 248
GLY A 249
GLY A 251
 EPE  A 305 (-3.4A)
None
EPE  A 305 ( 3.9A)
EPE  A 305 (-3.1A)
EPE  A 305 (-3.6A)
EPE  A 305 (-3.4A)
None
 0.46A 6b5yB-3lezA:
40.6		 6b5yB-3lezA:
18.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B5Y_B_9F2B400_1
(BETA-LACTAMASE)		 3lez BETA-LACTAMASE
(Oceanobacillus
iheyensis) 		7 / 12 SER A  85
SER A 143
THR A 229
LYS A 247
THR A 248
GLY A 249
GLY A 251
 EPE  A 305 (-3.4A)
EPE  A 305 (-2.5A)
EPE  A 305 ( 3.9A)
EPE  A 305 (-3.1A)
EPE  A 305 (-3.6A)
EPE  A 305 (-3.4A)
None
 0.70A 6b5yB-3lezA:
40.6		 6b5yB-3lezA:
18.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B5Y_D_9F2D400_1
(BETA-LACTAMASE)		 3lez BETA-LACTAMASE
(Oceanobacillus
iheyensis) 		7 / 12 SER A  85
ASN A 183
THR A 229
LYS A 247
THR A 248
GLY A 249
GLY A 251
 EPE  A 305 (-3.4A)
None
EPE  A 305 ( 3.9A)
EPE  A 305 (-3.1A)
EPE  A 305 (-3.6A)
EPE  A 305 (-3.4A)
None
 0.50A 6b5yD-3lezA:
40.7		 6b5yD-3lezA:
18.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B5Y_D_9F2D400_1
(BETA-LACTAMASE)		 3lez BETA-LACTAMASE
(Oceanobacillus
iheyensis) 		7 / 12 SER A  85
SER A 143
THR A 229
LYS A 247
THR A 248
GLY A 249
GLY A 251
 EPE  A 305 (-3.4A)
EPE  A 305 (-2.5A)
EPE  A 305 ( 3.9A)
EPE  A 305 (-3.1A)
EPE  A 305 (-3.6A)
EPE  A 305 (-3.4A)
None
 0.73A 6b5yD-3lezA:
40.7		 6b5yD-3lezA:
18.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B68_B_9F2B301_1
(BETA-LACTAMASE)		 1n9b BETA-LACTAMASE SHV-2
(Klebsiella
pneumoniae) 		6 / 12 SER A  70
SER A 130
ASN A 170
LYS A 234
THR A 235
GLY A 236
 EPE  A 400 (-3.7A)
EPE  A 400 (-2.5A)
None
EPE  A 400 (-3.1A)
EPE  A 400 (-3.8A)
EPE  A 400 (-3.1A)
 0.73A 6b68B-1n9bA:
34.1		 6b68B-1n9bA:
17.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B68_B_9F2B301_1
(BETA-LACTAMASE)		 3lez BETA-LACTAMASE
(Oceanobacillus
iheyensis) 		8 / 12 SER A  85
SER A 143
ASN A 183
THR A 229
LYS A 247
THR A 248
GLY A 249
GLY A 251
 EPE  A 305 (-3.4A)
EPE  A 305 (-2.5A)
None
EPE  A 305 ( 3.9A)
EPE  A 305 (-3.1A)
EPE  A 305 (-3.6A)
EPE  A 305 (-3.4A)
None
 0.60A 6b68B-3lezA:
40.8		 6b68B-3lezA:
18.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B68_D_9F2D400_1
(BETA-LACTAMASE)		 1n9b BETA-LACTAMASE SHV-2
(Klebsiella
pneumoniae) 		5 / 12 SER A  70
SER A 130
ASN A 170
LYS A 234
GLY A 236
 EPE  A 400 (-3.7A)
EPE  A 400 (-2.5A)
None
EPE  A 400 (-3.1A)
EPE  A 400 (-3.1A)
 0.69A 6b68D-1n9bA:
34.1		 6b68D-1n9bA:
17.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B68_D_9F2D400_1
(BETA-LACTAMASE)		 3lez BETA-LACTAMASE
(Oceanobacillus
iheyensis) 		6 / 12 SER A  85
ASN A 183
THR A 229
LYS A 247
GLY A 249
GLY A 251
 EPE  A 305 (-3.4A)
None
EPE  A 305 ( 3.9A)
EPE  A 305 (-3.1A)
EPE  A 305 (-3.4A)
None
 0.41A 6b68D-3lezA:
40.7		 6b68D-3lezA:
18.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B69_B_9F2B301_1
(BETA-LACTAMASE)		 1n9b BETA-LACTAMASE SHV-2
(Klebsiella
pneumoniae) 		6 / 12 SER A  70
SER A 130
ASN A 170
LYS A 234
THR A 235
GLY A 236
 EPE  A 400 (-3.7A)
EPE  A 400 (-2.5A)
None
EPE  A 400 (-3.1A)
EPE  A 400 (-3.8A)
EPE  A 400 (-3.1A)
 0.78A 6b69A-1n9bA:
33.9
6b69B-1n9bA:
34.1		 6b69A-1n9bA:
17.12
6b69B-1n9bA:
17.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B69_B_9F2B301_1
(BETA-LACTAMASE)		 3lez BETA-LACTAMASE
(Oceanobacillus
iheyensis) 		7 / 12 SER A  85
ASN A 183
THR A 229
LYS A 247
THR A 248
GLY A 249
GLY A 251
 EPE  A 305 (-3.4A)
None
EPE  A 305 ( 3.9A)
EPE  A 305 (-3.1A)
EPE  A 305 (-3.6A)
EPE  A 305 (-3.4A)
None
 0.39A 6b69A-3lezA:
40.7
6b69B-3lezA:
40.7		 6b69A-3lezA:
18.97
6b69B-3lezA:
18.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B69_B_9F2B301_1
(BETA-LACTAMASE)		 3lez BETA-LACTAMASE
(Oceanobacillus
iheyensis) 		7 / 12 SER A  85
SER A 143
THR A 229
LYS A 247
THR A 248
GLY A 249
GLY A 251
 EPE  A 305 (-3.4A)
EPE  A 305 (-2.5A)
EPE  A 305 ( 3.9A)
EPE  A 305 (-3.1A)
EPE  A 305 (-3.6A)
EPE  A 305 (-3.4A)
None
 0.65A 6b69A-3lezA:
40.7
6b69B-3lezA:
40.7		 6b69A-3lezA:
18.97
6b69B-3lezA:
18.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B69_D_9F2D301_1
(BETA-LACTAMASE)		 1n9b BETA-LACTAMASE SHV-2
(Klebsiella
pneumoniae) 		6 / 12 SER A  70
SER A 130
ASN A 170
LYS A 234
THR A 235
GLY A 236
 EPE  A 400 (-3.7A)
EPE  A 400 (-2.5A)
None
EPE  A 400 (-3.1A)
EPE  A 400 (-3.8A)
EPE  A 400 (-3.1A)
 0.79A 6b69D-1n9bA:
34.0		 6b69D-1n9bA:
17.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B69_D_9F2D301_1
(BETA-LACTAMASE)		 3lez BETA-LACTAMASE
(Oceanobacillus
iheyensis) 		7 / 12 SER A  85
ASN A 183
THR A 229
LYS A 247
THR A 248
GLY A 249
GLY A 251
 EPE  A 305 (-3.4A)
None
EPE  A 305 ( 3.9A)
EPE  A 305 (-3.1A)
EPE  A 305 (-3.6A)
EPE  A 305 (-3.4A)
None
 0.39A 6b69D-3lezA:
40.6		 6b69D-3lezA:
18.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B69_D_9F2D301_1
(BETA-LACTAMASE)		 3lez BETA-LACTAMASE
(Oceanobacillus
iheyensis) 		6 / 12 SER A  85
SER A 143
LYS A 247
THR A 248
GLY A 249
GLY A 251
 EPE  A 305 (-3.4A)
EPE  A 305 (-2.5A)
EPE  A 305 (-3.1A)
EPE  A 305 (-3.6A)
EPE  A 305 (-3.4A)
None
 0.63A 6b69D-3lezA:
40.6		 6b69D-3lezA:
18.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B6A_B_9F2B301_1
(BETA-LACTAMASE)		 1n9b BETA-LACTAMASE SHV-2
(Klebsiella
pneumoniae) 		6 / 12 SER A  70
SER A 130
ASN A 170
LYS A 234
THR A 235
GLY A 236
 EPE  A 400 (-3.7A)
EPE  A 400 (-2.5A)
None
EPE  A 400 (-3.1A)
EPE  A 400 (-3.8A)
EPE  A 400 (-3.1A)
 0.76A 6b6aB-1n9bA:
33.7		 6b6aB-1n9bA:
17.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B6A_B_9F2B301_1
(BETA-LACTAMASE)		 3lez BETA-LACTAMASE
(Oceanobacillus
iheyensis) 		7 / 12 SER A  85
ASN A 183
THR A 229
LYS A 247
THR A 248
GLY A 249
GLY A 251
 EPE  A 305 (-3.4A)
None
EPE  A 305 ( 3.9A)
EPE  A 305 (-3.1A)
EPE  A 305 (-3.6A)
EPE  A 305 (-3.4A)
None
 0.39A 6b6aB-3lezA:
40.7		 6b6aB-3lezA:
18.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B6A_B_9F2B301_1
(BETA-LACTAMASE)		 3lez BETA-LACTAMASE
(Oceanobacillus
iheyensis) 		7 / 12 SER A  85
SER A 143
THR A 229
LYS A 247
THR A 248
GLY A 249
GLY A 251
 EPE  A 305 (-3.4A)
EPE  A 305 (-2.5A)
EPE  A 305 ( 3.9A)
EPE  A 305 (-3.1A)
EPE  A 305 (-3.6A)
EPE  A 305 (-3.4A)
None
 0.64A 6b6aB-3lezA:
40.7		 6b6aB-3lezA:
18.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B6A_D_9F2D301_1
(BETA-LACTAMASE)		 1n9b BETA-LACTAMASE SHV-2
(Klebsiella
pneumoniae) 		6 / 12 SER A  70
SER A 130
ASN A 170
LYS A 234
THR A 235
GLY A 236
 EPE  A 400 (-3.7A)
EPE  A 400 (-2.5A)
None
EPE  A 400 (-3.1A)
EPE  A 400 (-3.8A)
EPE  A 400 (-3.1A)
 0.76A 6b6aD-1n9bA:
33.7		 6b6aD-1n9bA:
17.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B6A_D_9F2D301_1
(BETA-LACTAMASE)		 3lez BETA-LACTAMASE
(Oceanobacillus
iheyensis) 		6 / 12 SER A  85
ASN A 183
LYS A 247
THR A 248
GLY A 249
GLY A 251
 EPE  A 305 (-3.4A)
None
EPE  A 305 (-3.1A)
EPE  A 305 (-3.6A)
EPE  A 305 (-3.4A)
None
 0.27A 6b6aD-3lezA:
40.6		 6b6aD-3lezA:
18.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B6A_D_9F2D301_1
(BETA-LACTAMASE)		 3lez BETA-LACTAMASE
(Oceanobacillus
iheyensis) 		6 / 12 SER A  85
SER A 143
LYS A 247
THR A 248
GLY A 249
GLY A 251
 EPE  A 305 (-3.4A)
EPE  A 305 (-2.5A)
EPE  A 305 (-3.1A)
EPE  A 305 (-3.6A)
EPE  A 305 (-3.4A)
None
 0.61A 6b6aD-3lezA:
40.6		 6b6aD-3lezA:
18.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B6C_A_9F2A301_1
(BETA-LACTAMASE)		 1n9b BETA-LACTAMASE SHV-2
(Klebsiella
pneumoniae) 		6 / 12 SER A  70
SER A 130
ASN A 170
LYS A 234
THR A 235
GLY A 236
 EPE  A 400 (-3.7A)
EPE  A 400 (-2.5A)
None
EPE  A 400 (-3.1A)
EPE  A 400 (-3.8A)
EPE  A 400 (-3.1A)
 0.72A 6b6cA-1n9bA:
33.6		 6b6cA-1n9bA:
17.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B6C_A_9F2A301_1
(BETA-LACTAMASE)		 3lez BETA-LACTAMASE
(Oceanobacillus
iheyensis) 		6 / 12 SER A  85
ASN A 183
LYS A 247
THR A 248
GLY A 249
GLY A 251
 EPE  A 305 (-3.4A)
None
EPE  A 305 (-3.1A)
EPE  A 305 (-3.6A)
EPE  A 305 (-3.4A)
None
 0.36A 6b6cA-3lezA:
40.4		 6b6cA-3lezA:
18.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B6D_A_9F2A302_1
(BETA-LACTAMASE)		 1n9b BETA-LACTAMASE SHV-2
(Klebsiella
pneumoniae) 		6 / 12 SER A  70
SER A 130
ASN A 170
LYS A 234
THR A 235
GLY A 236
 EPE  A 400 (-3.7A)
EPE  A 400 (-2.5A)
None
EPE  A 400 (-3.1A)
EPE  A 400 (-3.8A)
EPE  A 400 (-3.1A)
 0.66A 6b6dA-1n9bA:
33.7		 6b6dA-1n9bA:
17.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B6D_A_9F2A302_1
(BETA-LACTAMASE)		 3lez BETA-LACTAMASE
(Oceanobacillus
iheyensis) 		8 / 12 SER A  85
SER A 143
ASN A 183
THR A 229
LYS A 247
THR A 248
GLY A 249
GLY A 251
 EPE  A 305 (-3.4A)
EPE  A 305 (-2.5A)
None
EPE  A 305 ( 3.9A)
EPE  A 305 (-3.1A)
EPE  A 305 (-3.6A)
EPE  A 305 (-3.4A)
None
 0.40A 6b6dA-3lezA:
40.2		 6b6dA-3lezA:
18.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B6E_A_9F2A302_1
(BETA-LACTAMASE)		 1n9b BETA-LACTAMASE SHV-2
(Klebsiella
pneumoniae) 		6 / 12 SER A  70
SER A 130
ASN A 170
LYS A 234
THR A 235
GLY A 236
 EPE  A 400 (-3.7A)
EPE  A 400 (-2.5A)
None
EPE  A 400 (-3.1A)
EPE  A 400 (-3.8A)
EPE  A 400 (-3.1A)
 0.78A 6b6eA-1n9bA:
33.8		 6b6eA-1n9bA:
17.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B6E_A_9F2A302_1
(BETA-LACTAMASE)		 3lez BETA-LACTAMASE
(Oceanobacillus
iheyensis) 		8 / 12 SER A  85
SER A 143
ASN A 183
THR A 229
LYS A 247
THR A 248
GLY A 249
GLY A 251
 EPE  A 305 (-3.4A)
EPE  A 305 (-2.5A)
None
EPE  A 305 ( 3.9A)
EPE  A 305 (-3.1A)
EPE  A 305 (-3.6A)
EPE  A 305 (-3.4A)
None
 0.61A 6b6eA-3lezA:
40.5		 6b6eA-3lezA:
18.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B6F_A_9F2A301_1
(BETA-LACTAMASE)		 1n9b BETA-LACTAMASE SHV-2
(Klebsiella
pneumoniae) 		6 / 12 SER A  70
SER A 130
ASN A 170
LYS A 234
THR A 235
GLY A 236
 EPE  A 400 (-3.7A)
EPE  A 400 (-2.5A)
None
EPE  A 400 (-3.1A)
EPE  A 400 (-3.8A)
EPE  A 400 (-3.1A)
 0.81A 6b6fA-1n9bA:
33.4		 6b6fA-1n9bA:
17.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B6F_A_9F2A301_1
(BETA-LACTAMASE)		 3lez BETA-LACTAMASE
(Oceanobacillus
iheyensis) 		6 / 12 SER A  85
ASN A 183
LYS A 247
THR A 248
GLY A 249
GLY A 251
 EPE  A 305 (-3.4A)
None
EPE  A 305 (-3.1A)
EPE  A 305 (-3.6A)
EPE  A 305 (-3.4A)
None
 0.38A 6b6fA-3lezA:
40.2		 6b6fA-3lezA:
18.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6BP4_A_SAMA505_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-9 SPECIFIC)		 5h0u MATRIX
METALLOPROTEINASE-14
(Homo
sapiens) 		3 / 3 ILE A 233
ASN A 130
CYH A 127
 None
EPE  A 305 ( 4.6A)
None
 0.80A 6bp4A-5h0uA:
undetectable		 6bp4A-5h0uA:
19.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6BRD_C_RFPC502_1
(RIFAMPIN
MONOOXYGENASE)		 3x0v L-LYSINE OXIDASE
(Trichoderma
viride) 		5 / 12 VAL A 364
GLY A  65
MET A  67
ARG A  68
THR A 370
 None
FAD  A 601 (-4.1A)
None
EPE  A 602 ( 3.1A)
None
 1.16A 6brdC-3x0vA:
2.2		 6brdC-3x0vA:
9.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6C2M_A_SUEA1202_1
(NS3 PROTEASE)		 2eyq TRANSCRIPTION-REPAIR
COUPLING FACTOR
(Escherichia
coli) 		5 / 9 VAL A 197
ARG A 783
ALA A 785
VAL A 786
ASP A 938
 None
None
None
None
EPE  A1151 (-3.5A)
 1.24A 6c2mA-2eyqA:
undetectable		 6c2mA-2eyqA:
5.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6C2M_C_SUEC1203_0
(NS3 PROTEASE)		 1evq SERINE HYDROLASE
(Alicyclobacillus
acidocaldarius) 		5 / 12 HIS A 282
ASP A 252
GLY A  82
SER A 155
ALA A 285
 EPE  A 455 (-4.0A)
None
EPE  A 455 (-3.5A)
EPE  A 455 (-1.4A)
None
 1.03A 6c2mC-1evqA:
undetectable		 6c2mC-1evqA:
13.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6C79_A_CE3A301_1
(BETA-LACTAMASE
TOHO-1)		 1n9b BETA-LACTAMASE SHV-2
(Klebsiella
pneumoniae) 		6 / 12 TYR A 105
SER A 130
ASN A 132
ASN A 170
LYS A 234
GLY A 236
 EPE  A 400 (-3.6A)
EPE  A 400 (-2.5A)
None
None
EPE  A 400 (-3.1A)
EPE  A 400 (-3.1A)
 0.58A 6c79A-1n9bA:
35.4		 6c79A-1n9bA:
15.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6C79_A_CE3A301_1
(BETA-LACTAMASE
TOHO-1)		 3lez BETA-LACTAMASE
(Oceanobacillus
iheyensis) 		7 / 12 TYR A 118
ASN A 145
ASN A 183
THR A 229
LYS A 247
GLY A 249
GLY A 251
 EPE  A 305 (-3.3A)
None
None
EPE  A 305 ( 3.9A)
EPE  A 305 (-3.1A)
EPE  A 305 (-3.4A)
None
 0.47A 6c79A-3lezA:
41.4		 6c79A-3lezA:
13.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6C79_A_CE3A301_1
(BETA-LACTAMASE
TOHO-1)		 3lez BETA-LACTAMASE
(Oceanobacillus
iheyensis) 		7 / 12 TYR A 118
SER A 143
ASN A 145
THR A 229
LYS A 247
GLY A 249
GLY A 251
 EPE  A 305 (-3.3A)
EPE  A 305 (-2.5A)
None
EPE  A 305 ( 3.9A)
EPE  A 305 (-3.1A)
EPE  A 305 (-3.4A)
None
 0.62A 6c79A-3lezA:
41.4		 6c79A-3lezA:
13.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6CLX_A_SAMA401_0
(O-METHYLTRANSFERASE)		 2eyq TRANSCRIPTION-REPAIR
COUPLING FACTOR
(Escherichia
coli) 		5 / 12 ALA A 880
GLY A 901
GLY A 904
ARG A 782
PHE A 943
 None
None
None
EPE  A1152 (-2.5A)
None
 1.20A 6clxA-2eyqA:
2.9		 6clxA-2eyqA:
17.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DCH_A_ACTA401_0
(SCOE PROTEIN)		 4y0e PUTATIVE DIOXYGENASE
(Mycobacteroides
abscessus) 		4 / 5 HIS A 104
ASP A 106
HIS A 262
ARG A 277
 FE  A 401 ( 3.2A)
FE  A 401 ( 2.7A)
FE  A 401 (-3.2A)
EPE  A 403 ( 2.8A)
 0.42A 6dchA-4y0eA:
26.6		 6dchA-4y0eA:
25.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DGX_A_017A101_1
(PROTEASE)		 2ynm LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE
IRON-SULFUR
ATP-BINDING PROTEIN
LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT N
(Prochlorococcus
marinus;
Prochlorococcus
marinus) 		5 / 12 LEU A  87
ALA C  71
GLY A 126
VAL A  83
ILE A  84
 None
None
SF4  A1302 (-3.9A)
None
EPE  A1298 (-4.9A)
 0.85A 6dgxB-2ynmA:
undetectable		 6dgxB-2ynmA:
16.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DH6_A_017A104_0
(PROTEASE)		 2ynm LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE
IRON-SULFUR
ATP-BINDING PROTEIN
LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT N
(Prochlorococcus
marinus;
Prochlorococcus
marinus) 		5 / 12 LEU A  87
ALA C  71
GLY A 125
VAL A  83
ILE A  84
 None
None
SF4  A1302 (-4.1A)
None
EPE  A1298 (-4.9A)
 1.00A 6dh6A-2ynmA:
undetectable		 6dh6A-2ynmA:
16.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DIF_B_TPVB201_0
(HIV-1 PROTEASE)		 2ynm LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE
IRON-SULFUR
ATP-BINDING PROTEIN
LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT N
(Prochlorococcus
marinus;
Prochlorococcus
marinus) 		5 / 12 LEU A  87
ALA C  71
GLY A 125
VAL A  83
ILE A  84
 None
None
SF4  A1302 (-4.1A)
None
EPE  A1298 (-4.9A)
 0.94A 6difA-2ynmA:
undetectable		 6difA-2ynmA:
16.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DIF_B_TPVB201_0
(HIV-1 PROTEASE)		 2ynm LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE
IRON-SULFUR
ATP-BINDING PROTEIN
LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT N
(Prochlorococcus
marinus;
Prochlorococcus
marinus) 		5 / 12 LEU A  87
ALA C  71
GLY A 126
VAL A  83
ILE A  84
 None
None
SF4  A1302 (-3.9A)
None
EPE  A1298 (-4.9A)
 0.98A 6difA-2ynmA:
undetectable		 6difA-2ynmA:
16.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6ESM_A_PZEA307_1
(MATRIX
METALLOPROTEINASE-9,
MATRIX
METALLOPROTEINASE-9)		 3o2x COLLAGENASE 3
(Homo
sapiens) 		3 / 3 TYR A1176
HIS A1187
PHE A1189
 EPE  A 400 ( 4.1A)
ZN  A1998 ( 3.2A)
EPE  A 400 (-3.9A)
 0.22A 6esmA-3o2xA:
28.2		 6esmA-3o2xA:
53.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EW0_B_TA1B501_2
(TUBULIN BETA CHAIN)		 3gc2 O-SUCCINYLBENZOATE
SYNTHASE
(Salmonella
enterica) 		4 / 5 LEU A 149
THR A 111
ARG A 159
ARG A 105
 None
None
EPE  A 402 (-3.8A)
None
 1.15A 6ew0B-3gc2A:
undetectable		 6ew0B-3gc2A:
15.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EW0_D_TA1D501_2
(TUBULIN BETA CHAIN)		 3gc2 O-SUCCINYLBENZOATE
SYNTHASE
(Salmonella
enterica) 		4 / 5 LEU A 149
THR A 111
ARG A 159
ARG A 105
 None
None
EPE  A 402 (-3.8A)
None
 1.15A 6ew0D-3gc2A:
undetectable		 6ew0D-3gc2A:
15.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EW0_F_TA1F502_1
(TUBULIN BETA CHAIN)		 5mog PHYTOENE
DEHYDROGENASE,
CHLOROPLASTIC/CHROMO
PLASTIC
(Oryza
sativa) 		5 / 12 VAL A 138
GLU A 134
LEU A 313
ARG A 180
LEU A 117
 EPE  A 602 (-4.0A)
FAD  A 600 (-2.7A)
None
None
None
 1.23A 6ew0F-5mogA:
undetectable		 6ew0F-5mogA:
10.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EW0_H_TA1H501_2
(TUBULIN BETA CHAIN)		 3gc2 O-SUCCINYLBENZOATE
SYNTHASE
(Salmonella
enterica) 		4 / 5 LEU A 149
THR A 111
ARG A 159
ARG A 105
 None
None
EPE  A 402 (-3.8A)
None
 1.15A 6ew0H-3gc2A:
undetectable		 6ew0H-3gc2A:
15.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EW0_I_TA1I501_2
(TUBULIN BETA CHAIN)		 3gc2 O-SUCCINYLBENZOATE
SYNTHASE
(Salmonella
enterica) 		4 / 5 LEU A 149
THR A 111
ARG A 159
ARG A 105
 None
None
EPE  A 402 (-3.8A)
None
 1.15A 6ew0I-3gc2A:
undetectable		 6ew0I-3gc2A:
15.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6FGD_A_ACTA826_0
(GEPHYRIN)		 3ec7 PUTATIVE
DEHYDROGENASE
(Salmonella
enterica) 		3 / 3 HIS A 155
ARG A 127
ILE A 236
 EPE  A 401 (-4.4A)
None
None
 0.86A 6fgdA-3ec7A:
3.5		 6fgdA-3ec7A:
21.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6G1P_A_ACTA403_0
(ADP-RIBOSYLHYDROLASE
LIKE 2)		 5l9w ACETOPHENONE
CARBOXYLASE ALPHA
SUBUNIT
(Aromatoleum
aromaticum) 		3 / 3 TYR b 166
ASP b 164
GLN b 165
 None
None
EPE  B 802 (-4.0A)
 0.78A 6g1pA-5l9wb:
undetectable		 6g1pA-5l9wb:
21.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6GNE_A_ACRA602_2
(-)		 1jji CARBOXYLESTERASE
(Archaeoglobus
fulgidus) 		4 / 6 TYR A  10
HIS A 285
TYR A 254
GLU A 262
 None
EPE  A 455 (-4.6A)
None
None
 1.38A 6gneA-1jjiA:
5.3		 6gneA-1jjiA:
19.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6HU9_S_PCFS603_0
(CYTOCHROME B-C1
COMPLEX SUBUNIT 8
CYTOCHROME C OXIDASE
POLYPEPTIDE 5A,
MITOCHONDRIAL)		 4y0e PUTATIVE DIOXYGENASE
(Mycobacteroides
abscessus) 		4 / 7 GLN A 233
GLY A 211
HIS A 104
VAL A 107
 None
None
FE  A 401 ( 3.2A)
EPE  A 403 (-4.2A)
 0.96A 6hu9S-4y0eA:
undetectable
6hu9q-4y0eA:
undetectable		 6hu9S-4y0eA:
14.95
6hu9q-4y0eA:
18.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6IEY_A_CLMA401_0
(ESTERASE)		 1evq SERINE HYDROLASE
(Alicyclobacillus
acidocaldarius) 		5 / 11 HIS A  93
ASP A 154
LEU A 206
HIS A 282
GLY A 283
 None
None
None
EPE  A 455 (-4.0A)
None
 0.38A 6ieyA-1evqA:
41.0
6ieyB-1evqA:
40.9		 6ieyA-1evqA:
46.06
6ieyB-1evqA:
46.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6IEY_A_CLMA401_0
(ESTERASE)		 1jji CARBOXYLESTERASE
(Archaeoglobus
fulgidus) 		6 / 11 ILE A  92
HIS A  98
ASP A 159
LEU A 210
HIS A 285
GLY A 286
 None
None
None
None
EPE  A 455 (-4.6A)
None
 0.55A 6ieyA-1jjiA:
37.3
6ieyB-1jjiA:
37.5		 6ieyA-1jjiA:
40.63
6ieyB-1jjiA:
40.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6MN5_A_LLLA301_0
(AMINOGLYCOSIDE
N(3)-ACETYLTRANSFERA
SE, AAC(3)-IVA)		 3gza PUTATIVE
ALPHA-L-FUCOSIDASE
(Bacteroides
thetaiotaomicron) 		4 / 6 ASP A 288
TYR A 226
ASP A 199
GLU A 100
 EDO  A 463 ( 4.9A)
EPE  A 462 (-4.5A)
None
None
 1.06A 6mn5A-3gzaA:
undetectable		 6mn5A-3gzaA:
11.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6MN5_B_LLLB301_0
(AMINOGLYCOSIDE
N(3)-ACETYLTRANSFERA
SE, AAC(3)-IVA)		 3gza PUTATIVE
ALPHA-L-FUCOSIDASE
(Bacteroides
thetaiotaomicron) 		4 / 7 ASP A 288
TYR A 226
ASP A 199
GLU A 100
 EDO  A 463 ( 4.9A)
EPE  A 462 (-4.5A)
None
None
 0.92A 6mn5B-3gzaA:
undetectable		 6mn5B-3gzaA:
11.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6MN5_C_LLLC301_0
(AMINOGLYCOSIDE
N(3)-ACETYLTRANSFERA
SE, AAC(3)-IVA)		 3gza PUTATIVE
ALPHA-L-FUCOSIDASE
(Bacteroides
thetaiotaomicron) 		4 / 6 ASP A 288
TYR A 226
ASP A 199
GLU A 100
 EDO  A 463 ( 4.9A)
EPE  A 462 (-4.5A)
None
None
 0.84A 6mn5C-3gzaA:
undetectable		 6mn5C-3gzaA:
11.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6NKN_C_CHDC301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3ec7 PUTATIVE
DEHYDROGENASE
(Salmonella
enterica) 		4 / 6 HIS A 176
ASP A 277
TYR A 129
HIS A 155
 EPE  A 401 (-4.0A)
None
None
EPE  A 401 (-4.4A)
 1.09A 6nknA-3ec7A:
undetectable
6nknC-3ec7A:
undetectable		 6nknA-3ec7A:
20.73
6nknC-3ec7A:
19.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6NKN_P_CHDP301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3ec7 PUTATIVE
DEHYDROGENASE
(Salmonella
enterica) 		4 / 8 HIS A 176
ASP A 277
TYR A 129
HIS A 155
 EPE  A 401 (-4.0A)
None
None
EPE  A 401 (-4.4A)
 1.11A 6nknC-3ec7A:
undetectable
6nknN-3ec7A:
undetectable
6nknP-3ec7A:
undetectable		 6nknC-3ec7A:
19.29
6nknN-3ec7A:
20.73
6nknP-3ec7A:
19.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6NMP_C_CHDC303_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3ec7 PUTATIVE
DEHYDROGENASE
(Salmonella
enterica) 		4 / 6 HIS A 176
ASP A 277
TYR A 129
HIS A 155
 EPE  A 401 (-4.0A)
None
None
EPE  A 401 (-4.4A)
 1.06A 6nmpA-3ec7A:
undetectable
6nmpC-3ec7A:
undetectable		 6nmpA-3ec7A:
20.73
6nmpC-3ec7A:
19.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6NMP_P_CHDP302_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3ec7 PUTATIVE
DEHYDROGENASE
(Salmonella
enterica) 		4 / 7 HIS A 176
ASP A 277
TYR A 129
HIS A 155
 EPE  A 401 (-4.0A)
None
None
EPE  A 401 (-4.4A)
 1.08A 6nmpN-3ec7A:
undetectable
6nmpP-3ec7A:
undetectable		 6nmpN-3ec7A:
20.73
6nmpP-3ec7A:
19.29