SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '211'


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.
1AFS_A_TESA325_1
(3-ALPHA-HYDROXYSTERO
ID DEHYDROGENASE)		 5xyi 40S RIBOSOMAL
PROTEIN SA
UNCHARACTERIZED
PROTEIN
(Trichomonas
vaginalis) 		4 / 7 LEU C 149
TYR C 146
THR A 107
TYR A 109
 None
None
G  21102 ( 3.2A)
U  21101 ( 3.9A)
 1.32A 1afsA-5xyiC:
undetectable		 1afsA-5xyiC:
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.
1AFS_B_TESB325_1
(3-ALPHA-HYDROXYSTERO
ID DEHYDROGENASE)		 5xyi 40S RIBOSOMAL
PROTEIN SA
UNCHARACTERIZED
PROTEIN
(Trichomonas
vaginalis) 		4 / 7 LEU C 149
TYR C 146
THR A 107
TYR A 109
 None
None
G  21102 ( 3.2A)
U  21101 ( 3.9A)
 1.32A 1afsB-5xyiC:
undetectable		 1afsB-5xyiC:
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.
1AV2_A_DVAA6_0
(GRAMICIDIN A)		 2btd PTS-DEPENDENT
DIHYDROXYACETONE
KINASE
(Escherichia
coli) 		3 / 3 ALA A 123
VAL A 117
TRP A 134
 ADP  A1211 ( 4.4A)
None
None
 0.93A 1av2A-2btdA:
undetectable
1av2B-2btdA:
undetectable		 1av2A-2btdA:
7.52
1av2B-2btdA:
7.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1AV2_D_DVAD6_0
(GRAMICIDIN A)		 2btd PTS-DEPENDENT
DIHYDROXYACETONE
KINASE
(Escherichia
coli) 		3 / 3 TRP A 134
ALA A 123
VAL A 117
 None
ADP  A1211 ( 4.4A)
None
 0.88A 1av2C-2btdA:
undetectable
1av2D-2btdA:
undetectable		 1av2C-2btdA:
7.52
1av2D-2btdA:
7.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1BX4_A_ADNA350_2
(PROTEIN (ADENOSINE
KINASE))		 2x3l ORN/LYS/ARG
DECARBOXYLASE FAMILY
PROTEIN
(Staphylococcus
aureus) 		3 / 3 LEU A 222
SER A 220
ASN A  79
 None
PLP  A1211 (-3.4A)
None
 0.83A 1bx4A-2x3lA:
3.0		 1bx4A-2x3lA:
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.
1GTI_A_CCSA47_0
(GLUTATHIONE
S-TRANSFERASE)		 4mes THIAMINE TRANSPORTER
THIT
(Lactococcus
lactis) 		4 / 7 LEU A  10
LEU A  53
GLY A  52
LEU A  47
 PG4  A 211 (-4.4A)
None
None
None
 0.94A 1gtiA-4mesA:
undetectable		 1gtiA-4mesA:
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.
1GTN_D_TRPD81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN)		 1yz4 DUAL SPECIFICITY
PHOSPHATASE-LIKE 15
ISOFORM A
(Homo
sapiens) 		4 / 7 SER A  88
VAL A  61
THR A  97
ILE A  63
 SO4  A 211 (-2.5A)
None
None
None
 0.86A 1gtnC-1yz4A:
undetectable
1gtnD-1yz4A:
undetectable		 1gtnC-1yz4A:
18.01
1gtnD-1yz4A:
18.01
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.
1HK1_A_T44A3004_1
(SERUM ALBUMIN)		 5xyi 40S RIBOSOMAL
PROTEIN SA
(Trichomonas
vaginalis) 		4 / 6 PHE A 101
GLU A 134
VAL A  72
MET A 120
 None
A  21131 ( 3.1A)
None
None
 1.06A 1hk1A-5xyiA:
undetectable		 1hk1A-5xyiA:
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.
1IGX_A_EPAA700_2
(PROSTAGLANDIN
ENDOPEROXIDE H
SYNTHASE-1)		 1aoa T-FIMBRIN
(Homo
sapiens) 		5 / 8 VAL A 211
VAL A 165
SER A 203
ILE A 207
LEU A 230
 VAL  A 211 ( 0.6A)
VAL  A 165 ( 0.6A)
SER  A 203 ( 0.0A)
ILE  A 207 ( 0.7A)
LEU  A 230 ( 0.6A)
 1.34A 1igxA-1aoaA:
undetectable		 1igxA-1aoaA:
19.96
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.
1JIP_A_KTNA801_1
(CYTOCHROME P450
107A1)		 2qec HISTONE
ACETYLTRANSFERASE
HPA2 AND RELATED
ACETYLTRANSFERASES
(Corynebacterium
glutamicum) 		5 / 12 GLY A 138
LEU A 174
VAL A 141
ALA A 144
LEU A 170
 EDO  A 211 (-3.3A)
None
None
None
None
 1.44A 1jipA-2qecA:
undetectable		 1jipA-2qecA:
20.19
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.
1MJ2_A_SAMA2201_1
(PROTEIN (METHIONINE
REPRESSOR))		 5xxu RIBOSOMAL PROTEIN
US12
(Toxoplasma
gondii) 		4 / 4 HIS X 110
ALA X 111
PHE X 105
GLY X 109
 U  21131 ( 4.3A)
U  21131 ( 4.7A)
None
None
 1.38A 1mj2B-5xxuX:
undetectable		 1mj2B-5xxuX:
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.
1MJO_A_SAMA199_1
(METHIONINE REPRESSOR)		 5xxu RIBOSOMAL PROTEIN
US12
(Toxoplasma
gondii) 		4 / 4 HIS X 110
ALA X 111
PHE X 105
GLY X 109
 U  21131 ( 4.3A)
U  21131 ( 4.7A)
None
None
 1.38A 1mjoB-5xxuX:
undetectable		 1mjoB-5xxuX:
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.
1MJO_B_SAMB200_0
(METHIONINE REPRESSOR)		 5xxu RIBOSOMAL PROTEIN
US12
(Toxoplasma
gondii) 		4 / 4 HIS X 110
ALA X 111
PHE X 105
GLY X 109
 U  21131 ( 4.3A)
U  21131 ( 4.7A)
None
None
 1.35A 1mjoA-5xxuX:
undetectable		 1mjoA-5xxuX:
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.
1MJO_D_SAMD200_1
(METHIONINE REPRESSOR)		 5xxu RIBOSOMAL PROTEIN
US12
(Toxoplasma
gondii) 		4 / 4 HIS X 110
ALA X 111
PHE X 105
GLY X 109
 U  21131 ( 4.3A)
U  21131 ( 4.7A)
None
None
 1.41A 1mjoD-5xxuX:
undetectable		 1mjoD-5xxuX:
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.
1MXG_A_ACRA443_1
(ALPHA AMYLASE)		 3na8 PUTATIVE
DIHYDRODIPICOLINATE
SYNTHETASE
(Pseudomonas
aeruginosa) 		4 / 8 SER A 187
ASN A 157
ASP A 165
GLU A 135
 CSO  A 211 ( 4.0A)
None
None
None
 1.09A 1mxgA-3na8A:
9.5		 1mxgA-3na8A:
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.
1OM5_A_H4BA760_1
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 3rq0 GLYCOSYL HYDROLASES
FAMILY PROTEIN 16
(Mycolicibacteriu
m
smegmatis) 		4 / 8 VAL A 184
TRP A 156
TRP A 138
GLU A 155
 None
211  A 280 ( 4.7A)
GOL  A 278 (-3.7A)
GOL  A 278 (-3.4A)
 1.15A 1om5A-3rq0A:
undetectable
1om5B-3rq0A:
undetectable		 1om5A-3rq0A:
20.78
1om5B-3rq0A:
20.78
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.
1P33_A_MTXA351_1
(PTERIDINE REDUCTASE
1)		 5hfi UNCHARACTERIZED
PROTEIN, CYTOSOLIC
DISULFIDE REDUCTASE
DSBM
(Pseudomonas
aeruginosa) 		5 / 12 PHE A 206
LEU A 191
TYR A 196
LEU A  33
LEU A 211
 PHE  A 206 ( 1.3A)
LEU  A 191 ( 0.6A)
TYR  A 196 ( 1.3A)
LEU  A  33 ( 0.6A)
LEU  A 211 ( 0.6A)
 1.34A 1p33A-5hfiA:
undetectable		 1p33A-5hfiA:
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.
1P33_B_MTXB352_1
(PTERIDINE REDUCTASE
1)		 5hfi UNCHARACTERIZED
PROTEIN, CYTOSOLIC
DISULFIDE REDUCTASE
DSBM
(Pseudomonas
aeruginosa) 		5 / 12 PHE A 206
LEU A 191
TYR A 196
LEU A  33
LEU A 211
 PHE  A 206 ( 1.3A)
LEU  A 191 ( 0.6A)
TYR  A 196 ( 1.3A)
LEU  A  33 ( 0.6A)
LEU  A 211 ( 0.6A)
 1.33A 1p33B-5hfiA:
undetectable		 1p33B-5hfiA:
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.
1P33_C_MTXC353_1
(PTERIDINE REDUCTASE
1)		 5hfi UNCHARACTERIZED
PROTEIN, CYTOSOLIC
DISULFIDE REDUCTASE
DSBM
(Pseudomonas
aeruginosa) 		5 / 12 PHE A 206
LEU A 191
TYR A 196
LEU A  33
LEU A 211
 PHE  A 206 ( 1.3A)
LEU  A 191 ( 0.6A)
TYR  A 196 ( 1.3A)
LEU  A  33 ( 0.6A)
LEU  A 211 ( 0.6A)
 1.29A 1p33C-5hfiA:
undetectable		 1p33C-5hfiA:
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.
1P62_B_GEOB302_1
(DEOXYCYTIDINE KINASE)		 4unr THYMIDYLATE KINASE
(Mycobacterium
tuberculosis) 		5 / 11 GLU A 124
VAL A 120
TYR A 179
GLN A 136
ARG A  74
 None
None
None
None
QZE  A1211 (-2.7A)
 1.33A 1p62B-4unrA:
12.7		 1p62B-4unrA:
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.
1RS6_B_H4BB761_1
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 3rq0 GLYCOSYL HYDROLASES
FAMILY PROTEIN 16
(Mycolicibacteriu
m
smegmatis) 		4 / 8 TRP A 138
GLU A 155
VAL A 184
TRP A 156
 GOL  A 278 (-3.7A)
GOL  A 278 (-3.4A)
None
211  A 280 ( 4.7A)
 1.04A 1rs6A-3rq0A:
undetectable
1rs6B-3rq0A:
undetectable		 1rs6A-3rq0A:
20.78
1rs6B-3rq0A:
20.78
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.
1S14_A_NOVA1300_1
(TOPOISOMERASE IV
SUBUNIT B)		 2xcm CYTOSOLIC HEAT SHOCK
PROTEIN 90
(Hordeum
vulgare) 		5 / 12 ASN A  39
SER A  40
ASP A  42
ASP A  81
THR A 173
 ADP  A1211 ( 2.6A)
ADP  A1211 ( 4.0A)
None
ADP  A1211 (-3.5A)
ADP  A1211 (-3.4A)
 0.36A 1s14A-2xcmA:
10.1		 1s14A-2xcmA:
22.77
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.
1S14_A_NOVA1300_1
(TOPOISOMERASE IV
SUBUNIT B)		 2xcm CYTOSOLIC HEAT SHOCK
PROTEIN 90
(Hordeum
vulgare) 		6 / 12 SER A  40
ASP A  42
ASP A  81
MET A  86
ASP A 144
THR A 173
 ADP  A1211 ( 4.0A)
None
ADP  A1211 (-3.5A)
ADP  A1211 (-3.4A)
None
ADP  A1211 (-3.4A)
 1.26A 1s14A-2xcmA:
10.1		 1s14A-2xcmA:
22.77
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.
1S14_B_NOVB2300_1
(TOPOISOMERASE IV
SUBUNIT B)		 2xcm CYTOSOLIC HEAT SHOCK
PROTEIN 90
(Hordeum
vulgare) 		5 / 12 SER A  40
ASP A  42
ASP A  81
MET A  86
ASP A 144
 ADP  A1211 ( 4.0A)
None
ADP  A1211 (-3.5A)
ADP  A1211 (-3.4A)
None
 1.39A 1s14B-2xcmA:
10.8		 1s14B-2xcmA:
22.77
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.
1UHO_A_VDNA1000_1
(CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE)		 1soj CGMP-INHIBITED
3',5'-CYCLIC
PHOSPHODIESTERASE B
(Homo
sapiens) 		5 / 10 TYR A 736
HIS A 737
PHE A 959
GLN A 988
PHE A 991
 IBM  A2111 (-4.5A)
IBM  A2111 ( 4.8A)
None
IBM  A2111 (-3.3A)
IBM  A2111 (-3.6A)
 0.31A 1uhoA-1sojA:
34.7		 1uhoA-1sojA:
24.11
Potential target for repurposing, i.e. matched protein structure has less than 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)		 3kky SUPEROXIDE DISMUTASE
[MN]
(Deinococcus
radiodurans) 		4 / 7 HIS A  26
ASP A  12
TYR A   9
HIS A  30
 MN  A 211 (-3.3A)
None
None
None
 1.49A 1v54A-3kkyA:
undetectable
1v54C-3kkyA:
undetectable		 1v54A-3kkyA:
17.32
1v54C-3kkyA:
19.32
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.
1V54_P_CHDP4525_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE I
CYTOCHROME C OXIDASE
POLYPEPTIDE III)		 3kky SUPEROXIDE DISMUTASE
[MN]
(Deinococcus
radiodurans) 		4 / 7 HIS A  26
ASP A  12
TYR A   9
HIS A  30
 MN  A 211 (-3.3A)
None
None
None
 1.48A 1v54N-3kkyA:
undetectable
1v54P-3kkyA:
undetectable		 1v54N-3kkyA:
17.32
1v54P-3kkyA:
19.32
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.
1V55_C_CHDC3525_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE I
CYTOCHROME C OXIDASE
POLYPEPTIDE III)		 3kky SUPEROXIDE DISMUTASE
[MN]
(Deinococcus
radiodurans) 		4 / 7 HIS A  26
ASP A  12
TYR A   9
HIS A  30
 MN  A 211 (-3.3A)
None
None
None
 1.49A 1v55A-3kkyA:
undetectable
1v55C-3kkyA:
undetectable		 1v55A-3kkyA:
17.32
1v55C-3kkyA:
19.32
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.
1W5U_A_DVAA6_0
(GRAMICIDIN D)		 2btd PTS-DEPENDENT
DIHYDROXYACETONE
KINASE
(Escherichia
coli) 		3 / 3 ALA A 123
VAL A 117
TRP A 134
 ADP  A1211 ( 4.4A)
None
None
 0.90A 1w5uA-2btdA:
undetectable
1w5uB-2btdA:
undetectable		 1w5uA-2btdA:
7.52
1w5uB-2btdA:
7.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1W5U_B_DVAB6_0
(GRAMICIDIN D)		 2btd PTS-DEPENDENT
DIHYDROXYACETONE
KINASE
(Escherichia
coli) 		3 / 3 TRP A 134
ALA A 123
VAL A 117
 None
ADP  A1211 ( 4.4A)
None
 0.92A 1w5uA-2btdA:
undetectable
1w5uB-2btdA:
undetectable		 1w5uA-2btdA:
7.52
1w5uB-2btdA:
7.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1WSV_A_THHA3001_0
(AMINOMETHYLTRANSFERA
SE)		 2x3l ORN/LYS/ARG
DECARBOXYLASE FAMILY
PROTEIN
(Staphylococcus
aureus) 		5 / 12 THR A 153
ILE A 180
VAL A 205
PHE A 162
LEU A 171
 PLP  A1211 ( 4.2A)
None
None
None
None
 1.06A 1wsvA-2x3lA:
0.2		 1wsvA-2x3lA:
22.20
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.
1X70_A_715A801_2
(DIPEPTIDYL PEPTIDASE
IV)		 4unr THYMIDYLATE KINASE
(Mycobacterium
tuberculosis) 		3 / 3 ARG A  38
SER A 104
TYR A 103
 None
QZE  A1211 (-3.3A)
QZE  A1211 (-3.7A)
 0.68A 1x70A-4unrA:
undetectable		 1x70A-4unrA:
14.68
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.
1XL6_B_SPMB3001_1
(INWARD RECTIFIER
POTASSIUM CHANNEL)		 5xyi 40S RIBOSOMAL
PROTEIN S21
40S RIBOSOMAL
PROTEIN SA
(Trichomonas
vaginalis) 		4 / 5 ALA V  30
TYR A 137
ALA V  60
GLN A 130
 None
G  21104 ( 4.6A)
G  2 891 ( 3.6A)
A  21131 ( 3.6A)
 1.00A 1xl6A-5xyiV:
undetectable
1xl6B-5xyiV:
undetectable		 1xl6A-5xyiV:
13.95
1xl6B-5xyiV:
13.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XLX_A_CIOA101_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B)		 1soj CGMP-INHIBITED
3',5'-CYCLIC
PHOSPHODIESTERASE B
(Homo
sapiens) 		7 / 12 TYR A 736
HIS A 737
HIS A 825
THR A 952
ILE A 955
GLN A 988
PHE A 991
 IBM  A2111 (-4.5A)
IBM  A2111 ( 4.8A)
None
IBM  A2111 ( 4.8A)
IBM  A2111 (-4.2A)
IBM  A2111 (-3.3A)
IBM  A2111 (-3.6A)
 0.59A 1xlxA-1sojA:
41.6		 1xlxA-1sojA:
30.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XLX_B_CIOB102_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B)		 1soj CGMP-INHIBITED
3',5'-CYCLIC
PHOSPHODIESTERASE B
(Homo
sapiens) 		8 / 12 TYR A 736
HIS A 737
HIS A 825
THR A 952
ILE A 955
PHE A 959
GLN A 988
PHE A 991
 IBM  A2111 (-4.5A)
IBM  A2111 ( 4.8A)
None
IBM  A2111 ( 4.8A)
IBM  A2111 (-4.2A)
None
IBM  A2111 (-3.3A)
IBM  A2111 (-3.6A)
 0.53A 1xlxB-1sojA:
41.8		 1xlxB-1sojA:
30.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XMU_A_ROFA101_0
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B)		 1soj CGMP-INHIBITED
3',5'-CYCLIC
PHOSPHODIESTERASE B
(Homo
sapiens) 		5 / 12 HIS A 737
ASP A 937
PRO A 941
SER A 990
PHE A 991
 IBM  A2111 ( 4.8A)
MG  A2123 (-2.5A)
None
None
IBM  A2111 (-3.6A)
 1.24A 1xmuA-1sojA:
41.8		 1xmuA-1sojA:
30.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XMU_A_ROFA101_0
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B)		 1soj CGMP-INHIBITED
3',5'-CYCLIC
PHOSPHODIESTERASE B
(Homo
sapiens) 		8 / 12 TYR A 736
HIS A 737
ASP A 937
PRO A 941
TRP A 951
ILE A 955
PHE A 959
PHE A 991
 IBM  A2111 (-4.5A)
IBM  A2111 ( 4.8A)
MG  A2123 (-2.5A)
None
None
IBM  A2111 (-4.2A)
None
IBM  A2111 (-3.6A)
 0.57A 1xmuA-1sojA:
41.8		 1xmuA-1sojA:
30.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XMU_B_ROFB102_0
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B)		 1soj CGMP-INHIBITED
3',5'-CYCLIC
PHOSPHODIESTERASE B
(Homo
sapiens) 		7 / 12 TYR A 736
HIS A 737
ASP A 937
PRO A 941
TRP A 951
ILE A 955
PHE A 959
 IBM  A2111 (-4.5A)
IBM  A2111 ( 4.8A)
MG  A2123 (-2.5A)
None
None
IBM  A2111 (-4.2A)
None
 0.48A 1xmuB-1sojA:
41.8		 1xmuB-1sojA:
30.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XOM_A_CIOA603_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)		 1soj CGMP-INHIBITED
3',5'-CYCLIC
PHOSPHODIESTERASE B
(Homo
sapiens) 		7 / 12 TYR A 736
HIS A 737
ASP A 937
ILE A 955
PHE A 959
GLN A 988
PHE A 991
 IBM  A2111 (-4.5A)
IBM  A2111 ( 4.8A)
MG  A2123 (-2.5A)
IBM  A2111 (-4.2A)
None
IBM  A2111 (-3.3A)
IBM  A2111 (-3.6A)
 0.54A 1xomA-1sojA:
42.2		 1xomA-1sojA:
31.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XOM_B_CIOB601_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)		 1soj CGMP-INHIBITED
3',5'-CYCLIC
PHOSPHODIESTERASE B
(Homo
sapiens) 		7 / 12 TYR A 736
HIS A 737
THR A 952
ILE A 955
PHE A 959
GLN A 988
PHE A 991
 IBM  A2111 (-4.5A)
IBM  A2111 ( 4.8A)
IBM  A2111 ( 4.8A)
IBM  A2111 (-4.2A)
None
IBM  A2111 (-3.3A)
IBM  A2111 (-3.6A)
 0.54A 1xomB-1sojA:
42.3		 1xomB-1sojA:
31.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XOQ_A_ROFA502_0
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)		 1soj CGMP-INHIBITED
3',5'-CYCLIC
PHOSPHODIESTERASE B
(Homo
sapiens) 		5 / 12 HIS A 737
ASP A 937
PRO A 941
SER A 990
PHE A 991
 IBM  A2111 ( 4.8A)
MG  A2123 (-2.5A)
None
None
IBM  A2111 (-3.6A)
 1.24A 1xoqA-1sojA:
42.0		 1xoqA-1sojA:
31.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XOQ_A_ROFA502_0
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)		 1soj CGMP-INHIBITED
3',5'-CYCLIC
PHOSPHODIESTERASE B
(Homo
sapiens) 		7 / 12 TYR A 736
HIS A 737
ASP A 937
PRO A 941
THR A 952
ILE A 955
PHE A 991
 IBM  A2111 (-4.5A)
IBM  A2111 ( 4.8A)
MG  A2123 (-2.5A)
None
IBM  A2111 ( 4.8A)
IBM  A2111 (-4.2A)
IBM  A2111 (-3.6A)
 0.52A 1xoqA-1sojA:
42.0		 1xoqA-1sojA:
31.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XOQ_B_ROFB501_0
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)		 1soj CGMP-INHIBITED
3',5'-CYCLIC
PHOSPHODIESTERASE B
(Homo
sapiens) 		5 / 12 HIS A 737
ASP A 937
PRO A 941
SER A 990
PHE A 991
 IBM  A2111 ( 4.8A)
MG  A2123 (-2.5A)
None
None
IBM  A2111 (-3.6A)
 1.25A 1xoqB-1sojA:
42.2		 1xoqB-1sojA:
31.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XOQ_B_ROFB501_0
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)		 1soj CGMP-INHIBITED
3',5'-CYCLIC
PHOSPHODIESTERASE B
(Homo
sapiens) 		8 / 12 TYR A 736
HIS A 737
ASP A 937
PRO A 941
TRP A 951
THR A 952
ILE A 955
PHE A 991
 IBM  A2111 (-4.5A)
IBM  A2111 ( 4.8A)
MG  A2123 (-2.5A)
None
None
IBM  A2111 ( 4.8A)
IBM  A2111 (-4.2A)
IBM  A2111 (-3.6A)
 0.52A 1xoqB-1sojA:
42.2		 1xoqB-1sojA:
31.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XOS_A_VIAA1_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B)		 1soj CGMP-INHIBITED
3',5'-CYCLIC
PHOSPHODIESTERASE B
(Homo
sapiens) 		7 / 12 TYR A 736
HIS A 737
ASP A 937
PHE A 959
GLN A 988
PHE A 991
ILE A 995
 IBM  A2111 (-4.5A)
IBM  A2111 ( 4.8A)
MG  A2123 (-2.5A)
None
IBM  A2111 (-3.3A)
IBM  A2111 (-3.6A)
None
 0.52A 1xosA-1sojA:
41.8		 1xosA-1sojA:
30.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XOS_A_VIAA1_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B)		 1soj CGMP-INHIBITED
3',5'-CYCLIC
PHOSPHODIESTERASE B
(Homo
sapiens) 		6 / 12 TYR A 736
HIS A 737
ASP A 937
PHE A 959
SER A 974
GLN A 988
 IBM  A2111 (-4.5A)
IBM  A2111 ( 4.8A)
MG  A2123 (-2.5A)
None
None
IBM  A2111 (-3.3A)
 1.00A 1xosA-1sojA:
41.8		 1xosA-1sojA:
30.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XOS_A_VIAA1_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B)		 1soj CGMP-INHIBITED
3',5'-CYCLIC
PHOSPHODIESTERASE B
(Homo
sapiens) 		5 / 12 TYR A 736
HIS A 741
GLN A 988
PHE A 991
ILE A 995
 IBM  A2111 (-4.5A)
MG  A2123 (-3.0A)
IBM  A2111 (-3.3A)
IBM  A2111 (-3.6A)
None
 1.48A 1xosA-1sojA:
41.8		 1xosA-1sojA:
30.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XOT_A_VDNA101_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B)		 1soj CGMP-INHIBITED
3',5'-CYCLIC
PHOSPHODIESTERASE B
(Homo
sapiens) 		7 / 12 TYR A 736
HIS A 737
ILE A 955
SER A 974
GLN A 988
PHE A 991
ILE A 995
 IBM  A2111 (-4.5A)
IBM  A2111 ( 4.8A)
IBM  A2111 (-4.2A)
None
IBM  A2111 (-3.3A)
IBM  A2111 (-3.6A)
None
 0.67A 1xotA-1sojA:
41.8		 1xotA-1sojA:
30.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XOT_B_VDNB102_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B)		 1soj CGMP-INHIBITED
3',5'-CYCLIC
PHOSPHODIESTERASE B
(Homo
sapiens) 		6 / 12 TYR A 736
HIS A 737
ILE A 955
SER A 974
GLN A 988
PHE A 991
 IBM  A2111 (-4.5A)
IBM  A2111 ( 4.8A)
IBM  A2111 (-4.2A)
None
IBM  A2111 (-3.3A)
IBM  A2111 (-3.6A)
 0.51A 1xotB-1sojA:
41.9		 1xotB-1sojA:
30.21
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.
1Y4L_B_SVRB301_1
(PHOSPHOLIPASE A2
HOMOLOG 2)		 4mes THIAMINE TRANSPORTER
THIT
(Lactococcus
lactis) 		5 / 12 LEU A  10
GLY A  59
GLY A  56
LEU A  53
GLY A  96
 PG4  A 211 (-4.4A)
None
None
None
None
 1.03A 1y4lA-4mesA:
undetectable		 1y4lA-4mesA:
17.37
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.
1YA4_C_CTXC1383_1
(CES1 PROTEIN)		 5wiv D(4) DOPAMINE
RECEPTOR, SOLUBLE
CYTOCHROME B562
CHIMERA
(Escherichia
coli;
Homo
sapiens) 		4 / 5 TRP A 407
PRO A 409
LEU A 405
GLY A 401
 None
PEG  A1215 ( 4.6A)
OLA  A1211 ( 4.6A)
OLA  A1211 (-3.6A)
 1.46A 1ya4C-5wivA:
0.9		 1ya4C-5wivA:
22.20
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.
2AA5_B_STRB302_1
(MINERALOCORTICOID
RECEPTOR)		 3edi TOLLOID-LIKE PROTEIN
1
(Homo
sapiens) 		5 / 12 LEU A 193
MET A 147
SER A 145
LEU A 182
THR A   3
 None
None
ZN  A 211 ( 4.6A)
None
None
 1.39A 2aa5B-3ediA:
undetectable		 2aa5B-3ediA:
21.79
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.
2AYL_A_FLPA1701_1
(PROSTAGLANDIN G/H
SYNTHASE 1)		 4hc6 HOLO-[ACYL-CARRIER-P
ROTEIN] SYNTHASE
(Mycobacterium
tuberculosis) 		5 / 12 LEU A 105
LEU A  75
GLY A   5
ALA A  63
SER A  67
 None
BR  A 211 ( 4.6A)
None
None
None
 1.12A 2aylA-4hc6A:
undetectable		 2aylA-4hc6A:
14.05
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.
2BDM_A_TMIA501_1
(CYTOCHROME P450 2B4)		 3pas TETR FAMILY
TRANSCRIPTION
REGULATOR
(Marinobacter
hydrocarbonoclas
ticus) 		4 / 7 LEU A 101
PHE A 102
THR A 109
ILE A 118
 None
None
ACT  A 211 ( 4.3A)
None
 0.82A 2bdmA-3pasA:
undetectable		 2bdmA-3pasA:
18.20
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.
2DYR_C_CHDC525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3kky SUPEROXIDE DISMUTASE
[MN]
(Deinococcus
radiodurans) 		4 / 7 HIS A  26
ASP A  12
TYR A   9
HIS A  30
 MN  A 211 (-3.3A)
None
None
None
 1.49A 2dyrA-3kkyA:
1.5
2dyrC-3kkyA:
undetectable		 2dyrA-3kkyA:
17.32
2dyrC-3kkyA:
19.32
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.
2DYR_P_CHDP1525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3kky SUPEROXIDE DISMUTASE
[MN]
(Deinococcus
radiodurans) 		4 / 7 HIS A  26
ASP A  12
TYR A   9
HIS A  30
 MN  A 211 (-3.3A)
None
None
None
 1.49A 2dyrN-3kkyA:
undetectable
2dyrP-3kkyA:
undetectable		 2dyrN-3kkyA:
17.32
2dyrP-3kkyA:
19.32
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.
2DYS_C_CHDC304_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3kky SUPEROXIDE DISMUTASE
[MN]
(Deinococcus
radiodurans) 		4 / 6 HIS A  26
ASP A  12
TYR A   9
HIS A  30
 MN  A 211 (-3.3A)
None
None
None
 1.48A 2dysA-3kkyA:
1.7
2dysC-3kkyA:
undetectable		 2dysA-3kkyA:
17.32
2dysC-3kkyA:
19.32
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.
2DYS_P_CHDP304_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3kky SUPEROXIDE DISMUTASE
[MN]
(Deinococcus
radiodurans) 		4 / 6 HIS A  26
ASP A  12
TYR A   9
HIS A  30
 MN  A 211 (-3.3A)
None
None
None
 1.46A 2dysN-3kkyA:
undetectable
2dysP-3kkyA:
undetectable		 2dysN-3kkyA:
17.32
2dysP-3kkyA:
19.32
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.
2EIJ_C_CHDC525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3kky SUPEROXIDE DISMUTASE
[MN]
(Deinococcus
radiodurans) 		4 / 7 HIS A  26
ASP A  12
TYR A   9
HIS A  30
 MN  A 211 (-3.3A)
None
None
None
 1.48A 2eijA-3kkyA:
undetectable
2eijC-3kkyA:
undetectable		 2eijA-3kkyA:
17.32
2eijC-3kkyA:
19.32
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.
2EIJ_P_CHDP1525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3kky SUPEROXIDE DISMUTASE
[MN]
(Deinococcus
radiodurans) 		4 / 7 HIS A  26
ASP A  12
TYR A   9
HIS A  30
 MN  A 211 (-3.3A)
None
None
None
 1.49A 2eijN-3kkyA:
undetectable
2eijP-3kkyA:
undetectable		 2eijN-3kkyA:
17.32
2eijP-3kkyA:
19.32
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.
2EIK_C_CHDC525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3kky SUPEROXIDE DISMUTASE
[MN]
(Deinococcus
radiodurans) 		4 / 7 HIS A  26
ASP A  12
TYR A   9
HIS A  30
 MN  A 211 (-3.3A)
None
None
None
 1.49A 2eikA-3kkyA:
undetectable
2eikC-3kkyA:
undetectable		 2eikA-3kkyA:
17.32
2eikC-3kkyA:
19.32
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.
2EIK_P_CHDP1525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3kky SUPEROXIDE DISMUTASE
[MN]
(Deinococcus
radiodurans) 		4 / 7 HIS A  26
ASP A  12
TYR A   9
HIS A  30
 MN  A 211 (-3.3A)
None
None
None
 1.49A 2eikN-3kkyA:
1.5
2eikP-3kkyA:
undetectable		 2eikN-3kkyA:
17.32
2eikP-3kkyA:
19.32
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.
2EIL_P_CHDP1525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3kky SUPEROXIDE DISMUTASE
[MN]
(Deinococcus
radiodurans) 		4 / 7 HIS A  26
ASP A  12
TYR A   9
HIS A  30
 MN  A 211 (-3.3A)
None
None
None
 1.49A 2eilN-3kkyA:
undetectable
2eilP-3kkyA:
undetectable		 2eilN-3kkyA:
17.32
2eilP-3kkyA:
19.32
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.
2EIM_A_CHDA525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3kky SUPEROXIDE DISMUTASE
[MN]
(Deinococcus
radiodurans) 		4 / 6 HIS A  26
ASP A  12
TYR A   9
HIS A  30
 MN  A 211 (-3.3A)
None
None
None
 1.45A 2eimA-3kkyA:
undetectable
2eimC-3kkyA:
undetectable		 2eimA-3kkyA:
17.32
2eimC-3kkyA:
19.32
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.
2EIN_C_CHDC525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3kky SUPEROXIDE DISMUTASE
[MN]
(Deinococcus
radiodurans) 		4 / 6 HIS A  26
ASP A  12
TYR A   9
HIS A  30
 MN  A 211 (-3.3A)
None
None
None
 1.48A 2einA-3kkyA:
undetectable
2einC-3kkyA:
undetectable		 2einA-3kkyA:
17.32
2einC-3kkyA:
19.32
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.
2EJT_A_SAMA501_1
(N(2),N(2)-DIMETHYLGU
ANOSINE TRNA
METHYLTRANSFERASE)		 3o8s ADP-RIBOSE
PYROPHOSPHATASE
(Streptococcus
suis) 		3 / 3 ARG A 125
ASP A  80
ASP A 173
 ACT  A 211 (-3.4A)
None
None
 0.85A 2ejtA-3o8sA:
undetectable		 2ejtA-3o8sA:
19.15
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.
2G6H_A_H4BA760_1
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 3rq0 GLYCOSYL HYDROLASES
FAMILY PROTEIN 16
(Mycolicibacteriu
m
smegmatis) 		4 / 8 VAL A 184
TRP A 156
TRP A 138
GLU A 155
 None
211  A 280 ( 4.7A)
GOL  A 278 (-3.7A)
GOL  A 278 (-3.4A)
 1.14A 2g6hA-3rq0A:
undetectable
2g6hB-3rq0A:
undetectable		 2g6hA-3rq0A:
20.87
2g6hB-3rq0A:
20.87
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.
2H42_A_VIAA901_1
(CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE)		 1soj CGMP-INHIBITED
3',5'-CYCLIC
PHOSPHODIESTERASE B
(Homo
sapiens) 		5 / 11 TYR A 736
HIS A 737
PHE A 959
GLN A 988
PHE A 991
 IBM  A2111 (-4.5A)
IBM  A2111 ( 4.8A)
None
IBM  A2111 (-3.3A)
IBM  A2111 (-3.6A)
 0.37A 2h42A-1sojA:
34.3		 2h42A-1sojA:
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.
2H42_C_VIAC903_1
(CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE)		 1soj CGMP-INHIBITED
3',5'-CYCLIC
PHOSPHODIESTERASE B
(Homo
sapiens) 		5 / 12 TYR A 736
LEU A 895
PHE A 959
GLN A 988
PHE A 991
 IBM  A2111 (-4.5A)
None
None
IBM  A2111 (-3.3A)
IBM  A2111 (-3.6A)
 0.41A 2h42C-1sojA:
34.1		 2h42C-1sojA:
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.
2IZQ_A_DVAA6_0
(GRAMICIDIN D)		 2btd PTS-DEPENDENT
DIHYDROXYACETONE
KINASE
(Escherichia
coli) 		3 / 3 ALA A 123
VAL A 117
TRP A 134
 ADP  A1211 ( 4.4A)
None
None
 0.91A 2izqA-2btdA:
undetectable
2izqB-2btdA:
undetectable		 2izqA-2btdA:
7.52
2izqB-2btdA:
7.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2IZQ_D_DVAD6_0
(GRAMICIDIN D)		 2btd PTS-DEPENDENT
DIHYDROXYACETONE
KINASE
(Escherichia
coli) 		3 / 3 TRP A 134
ALA A 123
VAL A 117
 None
ADP  A1211 ( 4.4A)
None
 0.96A 2izqC-2btdA:
undetectable
2izqD-2btdA:
undetectable		 2izqC-2btdA:
7.52
2izqD-2btdA:
7.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Q0J_A_BEZA500_0
(QUINOLONE SIGNAL
RESPONSE PROTEIN)		 2xf4 HYDROXYACYLGLUTATHIO
NE HYDROLASE
(Salmonella
enterica) 		5 / 10 ASP A  60
HIS A 132
ASP A 151
PHE A 163
HIS A 192
 ZN  A1211 ( 2.8A)
None
ZN  A1211 (-2.4A)
PG4  A1212 (-4.6A)
ZN  A1211 (-3.3A)
 0.83A 2q0jA-2xf4A:
18.4		 2q0jA-2xf4A:
24.62
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.
2Q0J_B_BEZB500_0
(QUINOLONE SIGNAL
RESPONSE PROTEIN)		 2xf4 HYDROXYACYLGLUTATHIO
NE HYDROLASE
(Salmonella
enterica) 		6 / 11 ASP A  60
HIS A  61
HIS A 132
ASP A 151
PHE A 163
HIS A 192
 ZN  A1211 ( 2.8A)
ZN  A1211 (-3.3A)
None
ZN  A1211 (-2.4A)
PG4  A1212 (-4.6A)
ZN  A1211 (-3.3A)
 0.87A 2q0jB-2xf4A:
18.5		 2q0jB-2xf4A:
24.62
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.
2Q63_A_1UNA1001_2
(PROTEASE RETROPEPSIN)		 2yof THYMIDYLATE KINASE
(Plasmodium
falciparum) 		3 / 3 ARG A  99
ASN A 113
THR A 158
 74W  A 211 (-4.0A)
None
None
 0.67A 2q63A-2yofA:
undetectable		 2q63A-2yofA:
14.69
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.
2WEK_B_DIFB1376_1
(ZINC-BINDING ALCOHOL
DEHYDROGENASE
DOMAIN-CONTAINING
PROTEIN 2)		 2btd PTS-DEPENDENT
DIHYDROXYACETONE
KINASE
(Escherichia
coli) 		4 / 7 VAL A  76
GLY A  78
ALA A  79
LEU A  83
 None
ADP  A1211 (-3.5A)
ADP  A1211 (-3.5A)
ADP  A1211 (-4.5A)
 0.90A 2wekB-2btdA:
undetectable		 2wekB-2btdA:
22.22
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.
2WEY_A_EV1A1771_1
(CAMP AND
CAMP-INHIBITED CGMP
3', 5'-CYCLIC
PHOSPHODIESTERASE)		 1soj CGMP-INHIBITED
3',5'-CYCLIC
PHOSPHODIESTERASE B
(Homo
sapiens) 		8 / 12 TYR A 736
HIS A 737
LEU A 895
ILE A 955
GLU A 958
PHE A 959
GLN A 988
PHE A 991
 IBM  A2111 (-4.5A)
IBM  A2111 ( 4.8A)
None
IBM  A2111 (-4.2A)
None
None
IBM  A2111 (-3.3A)
IBM  A2111 (-3.6A)
 0.59A 2weyA-1sojA:
36.5		 2weyA-1sojA:
24.12
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.
2WEY_B_EV1B1771_1
(CAMP AND
CAMP-INHIBITED CGMP
3', 5'-CYCLIC
PHOSPHODIESTERASE)		 1soj CGMP-INHIBITED
3',5'-CYCLIC
PHOSPHODIESTERASE B
(Homo
sapiens) 		5 / 8 LEU A 895
ILE A 955
PHE A 959
GLN A 988
PHE A 991
 None
IBM  A2111 (-4.2A)
None
IBM  A2111 (-3.3A)
IBM  A2111 (-3.6A)
 0.35A 2weyB-1sojA:
36.2		 2weyB-1sojA:
24.12
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.
2XAD_E_GCSE710_1
(N-ACYL GLM
PEUDO-TEICOPLANIN
DEACETYLASE
TEICOPLANIN)		 1soj CGMP-INHIBITED
3',5'-CYCLIC
PHOSPHODIESTERASE B
(Homo
sapiens) 		4 / 8 HIS A 821
ASP A 937
ILE A 938
HIS A 741
 MG  A2123 (-3.1A)
MG  A2123 (-2.5A)
IBM  A2111 (-4.1A)
MG  A2123 (-3.0A)
 1.05A 2xadA-1sojA:
undetectable		 2xadA-1sojA:
22.39
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.
2XAD_F_GCSF710_1
(N-ACYL GLM
PEUDO-TEICOPLANIN
DEACETYLASE
TEICOPLANIN)		 1soj CGMP-INHIBITED
3',5'-CYCLIC
PHOSPHODIESTERASE B
(Homo
sapiens) 		4 / 8 HIS A 821
ASP A 937
ILE A 938
HIS A 741
 MG  A2123 (-3.1A)
MG  A2123 (-2.5A)
IBM  A2111 (-4.1A)
MG  A2123 (-3.0A)
 1.09A 2xadB-1sojA:
undetectable		 2xadB-1sojA:
22.39
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.
2XAD_G_GCSG710_1
(N-ACYL GLM
PEUDO-TEICOPLANIN
DEACETYLASE
TEICOPLANIN)		 1soj CGMP-INHIBITED
3',5'-CYCLIC
PHOSPHODIESTERASE B
(Homo
sapiens) 		4 / 8 HIS A 821
ASP A 937
ILE A 938
HIS A 741
 MG  A2123 (-3.1A)
MG  A2123 (-2.5A)
IBM  A2111 (-4.1A)
MG  A2123 (-3.0A)
 1.07A 2xadC-1sojA:
undetectable		 2xadC-1sojA:
22.39
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.
2XAD_H_GCSH710_1
(N-ACYL GLM
PEUDO-TEICOPLANIN
DEACETYLASE
TEICOPLANIN)		 1soj CGMP-INHIBITED
3',5'-CYCLIC
PHOSPHODIESTERASE B
(Homo
sapiens) 		4 / 8 HIS A 821
ASP A 937
ILE A 938
HIS A 741
 MG  A2123 (-3.1A)
MG  A2123 (-2.5A)
IBM  A2111 (-4.1A)
MG  A2123 (-3.0A)
 1.07A 2xadD-1sojA:
undetectable		 2xadD-1sojA:
22.39
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.
2Y69_A_CHDA1517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3kky SUPEROXIDE DISMUTASE
[MN]
(Deinococcus
radiodurans) 		4 / 7 HIS A  26
ASP A  12
TYR A   9
HIS A  30
 MN  A 211 (-3.3A)
None
None
None
 1.49A 2y69A-3kkyA:
undetectable
2y69C-3kkyA:
undetectable		 2y69A-3kkyA:
17.32
2y69C-3kkyA:
19.32
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.
2ZW9_B_SAMB801_1
(LEUCINE CARBOXYL
METHYLTRANSFERASE 2)		 4cyv HEMAGGLUTININ
(Influenza
A
virus) 		4 / 8 ILE B 152
ASN B 154
TYR B 157
SER B 147
 None
NAG  B 211 (-1.9A)
None
None
 1.11A 2zw9B-4cyvB:
undetectable		 2zw9B-4cyvB:
13.21
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.
2ZXW_C_CHDC525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3kky SUPEROXIDE DISMUTASE
[MN]
(Deinococcus
radiodurans) 		4 / 6 HIS A  26
ASP A  12
TYR A   9
HIS A  30
 MN  A 211 (-3.3A)
None
None
None
 1.48A 2zxwA-3kkyA:
undetectable
2zxwC-3kkyA:
undetectable		 2zxwA-3kkyA:
17.32
2zxwC-3kkyA:
19.32
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_P_CHDP1525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3kky SUPEROXIDE DISMUTASE
[MN]
(Deinococcus
radiodurans) 		4 / 6 HIS A  26
ASP A  12
TYR A   9
HIS A  30
 MN  A 211 (-3.3A)
None
None
None
 1.48A 2zxwN-3kkyA:
undetectable
2zxwP-3kkyA:
undetectable		 2zxwN-3kkyA:
17.32
2zxwP-3kkyA:
19.32
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.
3A25_A_SAMA279_0
(UNCHARACTERIZED
PROTEIN PH0793)		 5u09 CANNABINOID RECEPTOR
1,GLGA GLYCOGEN
SYNTHASE
(Homo
sapiens;
Pyrococcus
abyssi) 		5 / 12 ASN A 187
ARG A 186
HIS A 270
ILE A 267
ASP A 104
 SO4  A1211 (-4.5A)
None
None
None
None
 1.43A 3a25A-5u09A:
4.0		 3a25A-5u09A:
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.
3ABK_P_CHDP1525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3kky SUPEROXIDE DISMUTASE
[MN]
(Deinococcus
radiodurans) 		4 / 7 HIS A  26
ASP A  12
TYR A   9
HIS A  30
 MN  A 211 (-3.3A)
None
None
None
 1.47A 3abkN-3kkyA:
undetectable
3abkP-3kkyA:
undetectable		 3abkN-3kkyA:
17.32
3abkP-3kkyA:
19.32
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.
3ABM_P_CHDP1525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3kky SUPEROXIDE DISMUTASE
[MN]
(Deinococcus
radiodurans) 		4 / 7 HIS A  26
ASP A  12
TYR A   9
HIS A  30
 MN  A 211 (-3.3A)
None
None
None
 1.48A 3abmN-3kkyA:
undetectable
3abmP-3kkyA:
undetectable		 3abmN-3kkyA:
17.32
3abmP-3kkyA:
19.32
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.
3AG1_P_CHDP1525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3kky SUPEROXIDE DISMUTASE
[MN]
(Deinococcus
radiodurans) 		4 / 6 HIS A  26
ASP A  12
TYR A   9
HIS A  30
 MN  A 211 (-3.3A)
None
None
None
 1.50A 3ag1N-3kkyA:
undetectable
3ag1P-3kkyA:
undetectable		 3ag1N-3kkyA:
17.32
3ag1P-3kkyA:
19.32
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.
3AG2_A_CHDA525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3kky SUPEROXIDE DISMUTASE
[MN]
(Deinococcus
radiodurans) 		4 / 7 HIS A  26
ASP A  12
TYR A   9
HIS A  30
 MN  A 211 (-3.3A)
None
None
None
 1.49A 3ag2A-3kkyA:
undetectable
3ag2C-3kkyA:
undetectable		 3ag2A-3kkyA:
17.32
3ag2C-3kkyA:
19.32
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.
3AG2_P_CHDP1525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3kky SUPEROXIDE DISMUTASE
[MN]
(Deinococcus
radiodurans) 		4 / 7 HIS A  26
ASP A  12
TYR A   9
HIS A  30
 MN  A 211 (-3.3A)
None
None
None
 1.49A 3ag2N-3kkyA:
undetectable
3ag2P-3kkyA:
undetectable		 3ag2N-3kkyA:
17.32
3ag2P-3kkyA:
19.32
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.
3AG3_C_CHDC525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3kky SUPEROXIDE DISMUTASE
[MN]
(Deinococcus
radiodurans) 		4 / 7 HIS A  26
ASP A  12
TYR A   9
HIS A  30
 MN  A 211 (-3.3A)
None
None
None
 1.48A 3ag3A-3kkyA:
undetectable
3ag3C-3kkyA:
undetectable		 3ag3A-3kkyA:
17.32
3ag3C-3kkyA:
19.32
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.
3AG3_P_CHDP1525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3kky SUPEROXIDE DISMUTASE
[MN]
(Deinococcus
radiodurans) 		4 / 7 HIS A  26
ASP A  12
TYR A   9
HIS A  30
 MN  A 211 (-3.3A)
None
None
None
 1.49A 3ag3N-3kkyA:
1.8
3ag3P-3kkyA:
undetectable		 3ag3N-3kkyA:
17.32
3ag3P-3kkyA:
19.32
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.
3AG4_C_CHDC525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3kky SUPEROXIDE DISMUTASE
[MN]
(Deinococcus
radiodurans) 		4 / 7 HIS A  26
ASP A  12
TYR A   9
HIS A  30
 MN  A 211 (-3.3A)
None
None
None
 1.48A 3ag4A-3kkyA:
undetectable
3ag4C-3kkyA:
undetectable		 3ag4A-3kkyA:
17.32
3ag4C-3kkyA:
19.32
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.
3AG4_P_CHDP1525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3kky SUPEROXIDE DISMUTASE
[MN]
(Deinococcus
radiodurans) 		4 / 7 HIS A  26
ASP A  12
TYR A   9
HIS A  30
 MN  A 211 (-3.3A)
None
None
None
 1.49A 3ag4N-3kkyA:
undetectable
3ag4P-3kkyA:
undetectable		 3ag4N-3kkyA:
17.32
3ag4P-3kkyA:
19.32
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.
3AOD_A_MIYA2001_1
(ACRIFLAVINE
RESISTANCE PROTEIN B)		 2xcm CYTOSOLIC HEAT SHOCK
PROTEIN 90
(Hordeum
vulgare) 		4 / 8 GLY A 172
ASN A 143
ILE A  47
ALA A  43
 None
None
None
ADP  A1211 (-3.2A)
 0.97A 3aodA-2xcmA:
undetectable		 3aodA-2xcmA:
11.82
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.
3APV_B_TP0B190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		 2yof THYMIDYLATE KINASE
(Plasmodium
falciparum) 		5 / 12 LEU A  59
GLU A 151
ARG A  47
SER A 103
TYR A 107
 74W  A 211 (-4.6A)
74W  A 211 (-3.2A)
74W  A 211 (-4.6A)
74W  A 211 ( 4.4A)
74W  A 211 (-3.5A)
 1.41A 3apvB-2yofA:
undetectable		 3apvB-2yofA:
20.18
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.
3ASN_C_CHDC525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3kky SUPEROXIDE DISMUTASE
[MN]
(Deinococcus
radiodurans) 		4 / 6 HIS A  26
ASP A  12
TYR A   9
HIS A  30
 MN  A 211 (-3.3A)
None
None
None
 1.50A 3asnA-3kkyA:
1.7
3asnC-3kkyA:
undetectable		 3asnA-3kkyA:
17.32
3asnC-3kkyA:
19.32
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.
3B2R_A_VDNA1_1
(CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE)		 1soj CGMP-INHIBITED
3',5'-CYCLIC
PHOSPHODIESTERASE B
(Homo
sapiens) 		5 / 12 TYR A 736
HIS A 737
PHE A 959
GLN A 988
PHE A 991
 IBM  A2111 (-4.5A)
IBM  A2111 ( 4.8A)
None
IBM  A2111 (-3.3A)
IBM  A2111 (-3.6A)
 0.50A 3b2rA-1sojA:
30.1		 3b2rA-1sojA:
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.
3B3P_B_H4BB760_1
(NITRIC-OXIDE
SYNTHASE)		 3rq0 GLYCOSYL HYDROLASES
FAMILY PROTEIN 16
(Mycolicibacteriu
m
smegmatis) 		4 / 8 TRP A 138
GLU A 155
VAL A 184
TRP A 156
 GOL  A 278 (-3.7A)
GOL  A 278 (-3.4A)
None
211  A 280 ( 4.7A)
 0.98A 3b3pA-3rq0A:
undetectable
3b3pB-3rq0A:
undetectable		 3b3pA-3rq0A:
20.78
3b3pB-3rq0A:
20.78
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.
3BJW_B_SVRB512_2
(PHOSPHOLIPASE A2)		 5wzm GROUP IIE SECRETORY
PHOSPHOLIPASE A2
(Homo
sapiens) 		4 / 7 VAL A   3
GLY A  14
ARG A  98
LEU A 101
 None
None
None
TRS  A 211 (-4.0A)
 0.53A 3bjwB-5wzmA:
20.3		 3bjwB-5wzmA:
29.51
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.
3BJW_E_SVRE510_2
(PHOSPHOLIPASE A2)		 5wzm GROUP IIE SECRETORY
PHOSPHOLIPASE A2
(Homo
sapiens) 		4 / 6 VAL A   3
GLY A  14
ARG A  98
LEU A 101
 None
None
None
TRS  A 211 (-4.0A)
 0.54A 3bjwE-5wzmA:
20.0		 3bjwE-5wzmA:
29.51
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.
3BJW_F_SVRF509_3
(PHOSPHOLIPASE A2)		 5wzm GROUP IIE SECRETORY
PHOSPHOLIPASE A2
(Homo
sapiens) 		4 / 7 VAL A   3
GLY A  14
ARG A  98
LEU A 101
 None
None
None
TRS  A 211 (-4.0A)
 0.52A 3bjwF-5wzmA:
20.5		 3bjwF-5wzmA:
29.51
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.
3BJW_H_SVRH511_3
(PHOSPHOLIPASE A2)		 5wzm GROUP IIE SECRETORY
PHOSPHOLIPASE A2
(Homo
sapiens) 		4 / 7 VAL A   3
GLY A  14
ARG A  98
LEU A 101
 None
None
None
TRS  A 211 (-4.0A)
 0.52A 3bjwH-5wzmA:
20.3		 3bjwH-5wzmA:
29.51
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.
3CR5_X_PNTX94_0
(PROTEIN S100-B)		 2yof THYMIDYLATE KINASE
(Plasmodium
falciparum) 		3 / 3 PHE A  44
CYH A  97
PHE A  10
 ACT  A1211 (-4.2A)
None
None
 0.71A 3cr5X-2yofA:
undetectable		 3cr5X-2yofA:
18.10
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.
3CZV_A_AZMA263_1
(CARBONIC ANHYDRASE
13)		 1soj CGMP-INHIBITED
3',5'-CYCLIC
PHOSPHODIESTERASE B
(Homo
sapiens) 		5 / 12 HIS A 741
HIS A 821
PHE A 991
THR A 893
VAL A 996
 MG  A2123 (-3.0A)
MG  A2123 (-3.1A)
IBM  A2111 (-3.6A)
None
None
 1.23A 3czvA-1sojA:
undetectable
3czvB-1sojA:
undetectable		 3czvA-1sojA:
21.65
3czvB-1sojA:
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.
3E00_A_9CRA7223_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		 5xxu RIBOSOMAL PROTEIN
US10
RIBOSOMAL PROTEIN
US14
RIBOSOMAL PROTEIN
US3
(Toxoplasma
gondii) 		5 / 12 ALA D  21
GLN D  20
ASN d  46
VAL d  29
ILE U 177
 None
None
None
G  21194 ( 4.4A)
None
 1.02A 3e00A-5xxuD:
undetectable		 3e00A-5xxuD:
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.
3EEY_C_SAMC300_0
(PUTATIVE RRNA
METHYLASE)		 1t6p PHENYLALANINE
AMMONIA-LYASE
(Rhodotorula
toruloides) 		5 / 12 GLY A 271
ASN A 270
ILE A 171
GLY A 167
THR A 280
 175  A 211 ( 4.6A)
175  A 211 ( 4.0A)
None
None
None
 1.15A 3eeyC-1t6pA:
undetectable		 3eeyC-1t6pA:
14.49
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.
3EEY_E_SAME300_0
(PUTATIVE RRNA
METHYLASE)		 1t6p PHENYLALANINE
AMMONIA-LYASE
(Rhodotorula
toruloides) 		5 / 12 GLY A 271
ASN A 270
ILE A 171
GLY A 167
THR A 280
 175  A 211 ( 4.6A)
175  A 211 ( 4.0A)
None
None
None
 1.15A 3eeyE-1t6pA:
undetectable		 3eeyE-1t6pA:
14.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3G4L_A_ROFA901_0
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)		 1soj CGMP-INHIBITED
3',5'-CYCLIC
PHOSPHODIESTERASE B
(Homo
sapiens) 		5 / 12 TYR A 736
HIS A 737
PRO A 941
SER A 990
PHE A 991
 IBM  A2111 (-4.5A)
IBM  A2111 ( 4.8A)
None
None
IBM  A2111 (-3.6A)
 1.25A 3g4lA-1sojA:
42.0		 3g4lA-1sojA:
32.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3G4L_A_ROFA901_0
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)		 1soj CGMP-INHIBITED
3',5'-CYCLIC
PHOSPHODIESTERASE B
(Homo
sapiens) 		7 / 12 TYR A 736
HIS A 737
PRO A 941
TRP A 951
THR A 952
ILE A 955
PHE A 991
 IBM  A2111 (-4.5A)
IBM  A2111 ( 4.8A)
None
None
IBM  A2111 ( 4.8A)
IBM  A2111 (-4.2A)
IBM  A2111 (-3.6A)
 0.53A 3g4lA-1sojA:
42.0		 3g4lA-1sojA:
32.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3G4L_B_ROFB902_0
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)		 1soj CGMP-INHIBITED
3',5'-CYCLIC
PHOSPHODIESTERASE B
(Homo
sapiens) 		8 / 12 TYR A 736
HIS A 737
ASP A 937
PRO A 941
TRP A 951
THR A 952
ILE A 955
PHE A 991
 IBM  A2111 (-4.5A)
IBM  A2111 ( 4.8A)
MG  A2123 (-2.5A)
None
None
IBM  A2111 ( 4.8A)
IBM  A2111 (-4.2A)
IBM  A2111 (-3.6A)
 0.48A 3g4lB-1sojA:
41.7		 3g4lB-1sojA:
32.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3G4L_C_ROFC903_0
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)		 1soj CGMP-INHIBITED
3',5'-CYCLIC
PHOSPHODIESTERASE B
(Homo
sapiens) 		7 / 12 TYR A 736
HIS A 737
ASP A 937
PRO A 941
TRP A 951
THR A 952
ILE A 955
 IBM  A2111 (-4.5A)
IBM  A2111 ( 4.8A)
MG  A2123 (-2.5A)
None
None
IBM  A2111 ( 4.8A)
IBM  A2111 (-4.2A)
 0.49A 3g4lC-1sojA:
41.6		 3g4lC-1sojA:
32.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3G4L_D_ROFD904_0
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)		 1soj CGMP-INHIBITED
3',5'-CYCLIC
PHOSPHODIESTERASE B
(Homo
sapiens) 		8 / 12 TYR A 736
HIS A 737
ASP A 937
PRO A 941
TRP A 951
THR A 952
ILE A 955
GLN A 988
 IBM  A2111 (-4.5A)
IBM  A2111 ( 4.8A)
MG  A2123 (-2.5A)
None
None
IBM  A2111 ( 4.8A)
IBM  A2111 (-4.2A)
IBM  A2111 (-3.3A)
 0.51A 3g4lD-1sojA:
41.3		 3g4lD-1sojA:
32.26
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.
3HII_A_PNTA901_0
(AMILORIDE-SENSITIVE
AMINE OXIDASE)		 2btd PTS-DEPENDENT
DIHYDROXYACETONE
KINASE
(Escherichia
coli) 		5 / 12 THR A 195
ASP A 191
ASP A  37
GLY A  78
VAL A  76
 None
ADP  A1211 (-2.5A)
ADP  A1211 (-2.5A)
ADP  A1211 (-3.5A)
None
 1.38A 3hiiA-2btdA:
0.0		 3hiiA-2btdA:
14.73
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.
3HII_B_PNTB901_0
(AMILORIDE-SENSITIVE
AMINE OXIDASE)		 2btd PTS-DEPENDENT
DIHYDROXYACETONE
KINASE
(Escherichia
coli) 		5 / 12 THR A 195
ASP A 191
ASP A  37
GLY A  78
VAL A  76
 None
ADP  A1211 (-2.5A)
ADP  A1211 (-2.5A)
ADP  A1211 (-3.5A)
None
 1.38A 3hiiB-2btdA:
0.0		 3hiiB-2btdA:
14.73
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.
3HP1_A_LLTA401_1
(DEOXYCYTIDINE KINASE)		 4unr THYMIDYLATE KINASE
(Mycobacterium
tuberculosis) 		5 / 12 GLU A 124
VAL A 120
TYR A 179
GLN A 136
ARG A  74
 None
None
None
None
QZE  A1211 (-2.7A)
 1.32A 3hp1A-4unrA:
12.7		 3hp1A-4unrA:
19.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3HS4_A_AZMA702_1
(CARBONIC ANHYDRASE 2)		 5ezt CARBONIC ANHYDRASE 2
(Bos
taurus) 		4 / 7 VAL X 108
TYR X 113
TRP X 190
PRO X 213
 ALY  X 111 ( 4.6A)
ALY  X 111 ( 3.6A)
ALY  X 211 ( 3.8A)
ALY  X 147 ( 3.8A)
 0.31A 3hs4A-5eztX:
44.6		 3hs4A-5eztX:
80.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3IAK_A_EV1A415_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)		 1soj CGMP-INHIBITED
3',5'-CYCLIC
PHOSPHODIESTERASE B
(Homo
sapiens) 		6 / 9 TYR A 736
ILE A 955
PHE A 959
GLN A 988
PHE A 991
ILE A 995
 IBM  A2111 (-4.5A)
IBM  A2111 (-4.2A)
None
IBM  A2111 (-3.3A)
IBM  A2111 (-3.6A)
None
 0.58A 3iakA-1sojA:
42.0		 3iakA-1sojA:
31.99
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.
3JUS_B_ECLB600_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 2x3l ORN/LYS/ARG
DECARBOXYLASE FAMILY
PROTEIN
(Staphylococcus
aureus) 		5 / 8 THR A 197
GLY A 185
ALA A 183
THR A  81
ILE A  85
 None
None
PLP  A1211 (-3.4A)
PLP  A1211 (-3.8A)
None
 1.25A 3jusB-2x3lA:
undetectable		 3jusB-2x3lA:
23.06
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.
3JUS_B_ECNB602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 2x3l ORN/LYS/ARG
DECARBOXYLASE FAMILY
PROTEIN
(Staphylococcus
aureus) 		5 / 9 THR A 197
GLY A 185
ALA A 183
THR A  81
ILE A  85
 None
None
PLP  A1211 (-3.4A)
PLP  A1211 (-3.8A)
None
 1.25A 3jusB-2x3lA:
undetectable		 3jusB-2x3lA:
23.06
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.
3JWQ_A_VIAA901_1
(CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE
CATALYTIC DOMAIN,
CONE CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE
SUBUNIT ALPHA
CHIMERA)		 1soj CGMP-INHIBITED
3',5'-CYCLIC
PHOSPHODIESTERASE B
(Homo
sapiens) 		6 / 9 TYR A 736
HIS A 737
LEU A 895
LEU A 984
GLN A 988
PHE A 991
 IBM  A2111 (-4.5A)
IBM  A2111 ( 4.8A)
None
None
IBM  A2111 (-3.3A)
IBM  A2111 (-3.6A)
 0.52A 3jwqA-1sojA:
37.4		 3jwqA-1sojA:
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.
3JWQ_B_VIAB901_1
(CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE
CATALYTIC DOMAIN,
CONE CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE
SUBUNIT ALPHA
CHIMERA)		 1soj CGMP-INHIBITED
3',5'-CYCLIC
PHOSPHODIESTERASE B
(Homo
sapiens) 		6 / 11 TYR A 736
HIS A 737
LEU A 895
LEU A 984
GLN A 988
PHE A 991
 IBM  A2111 (-4.5A)
IBM  A2111 ( 4.8A)
None
None
IBM  A2111 (-3.3A)
IBM  A2111 (-3.6A)
 0.66A 3jwqB-1sojA:
37.3
3jwqC-1sojA:
37.3		 3jwqB-1sojA:
24.24
3jwqC-1sojA:
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.
3JWQ_C_VIAC901_1
(CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE
CATALYTIC DOMAIN,
CONE CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE
SUBUNIT ALPHA
CHIMERA)		 1soj CGMP-INHIBITED
3',5'-CYCLIC
PHOSPHODIESTERASE B
(Homo
sapiens) 		5 / 7 TYR A 736
HIS A 737
LEU A 984
GLN A 988
PHE A 991
 IBM  A2111 (-4.5A)
IBM  A2111 ( 4.8A)
None
IBM  A2111 (-3.3A)
IBM  A2111 (-3.6A)
 0.55A 3jwqC-1sojA:
37.3		 3jwqC-1sojA:
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.
3JWQ_D_VIAD901_1
(CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE
CATALYTIC DOMAIN,
CONE CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE
SUBUNIT ALPHA
CHIMERA)		 1soj CGMP-INHIBITED
3',5'-CYCLIC
PHOSPHODIESTERASE B
(Homo
sapiens) 		5 / 11 GLN A 962
TYR A 736
HIS A 737
LEU A 984
GLN A 988
 None
IBM  A2111 (-4.5A)
IBM  A2111 ( 4.8A)
None
IBM  A2111 (-3.3A)
 1.47A 3jwqA-1sojA:
37.4
3jwqD-1sojA:
37.1		 3jwqA-1sojA:
24.24
3jwqD-1sojA:
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.
3JWQ_D_VIAD901_1
(CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE
CATALYTIC DOMAIN,
CONE CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE
SUBUNIT ALPHA
CHIMERA)		 1soj CGMP-INHIBITED
3',5'-CYCLIC
PHOSPHODIESTERASE B
(Homo
sapiens) 		6 / 11 TYR A 736
HIS A 737
LEU A 895
LEU A 984
GLN A 988
PHE A 991
 IBM  A2111 (-4.5A)
IBM  A2111 ( 4.8A)
None
None
IBM  A2111 (-3.3A)
IBM  A2111 (-3.6A)
 1.07A 3jwqA-1sojA:
37.4
3jwqD-1sojA:
37.1		 3jwqA-1sojA:
24.24
3jwqD-1sojA:
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.
3JWQ_D_VIAD901_1
(CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE
CATALYTIC DOMAIN,
CONE CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE
SUBUNIT ALPHA
CHIMERA)		 1soj CGMP-INHIBITED
3',5'-CYCLIC
PHOSPHODIESTERASE B
(Homo
sapiens) 		6 / 11 TYR A 736
HIS A 737
LEU A 895
PHE A 959
GLN A 988
PHE A 991
 IBM  A2111 (-4.5A)
IBM  A2111 ( 4.8A)
None
None
IBM  A2111 (-3.3A)
IBM  A2111 (-3.6A)
 0.45A 3jwqA-1sojA:
37.4
3jwqD-1sojA:
37.1		 3jwqA-1sojA:
24.24
3jwqD-1sojA:
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.
3JZ0_B_CLYB900_1
(LINCOSAMIDE
NUCLEOTIDYLTRANSFERA
SE)		 5jja SERINE/THREONINE-PRO
TEIN PHOSPHATASE 2A
56 KDA REGULATORY
SUBUNIT GAMMA
ISOFORM
(Homo
sapiens) 		4 / 8 TYR A 263
TYR A 292
PHE A 211
ILE A 207
 TYR  A 263 ( 1.3A)
TYR  A 292 ( 1.3A)
PHE  A 211 ( 1.3A)
ILE  A 207 ( 0.7A)
 1.06A 3jz0B-5jjaA:
2.1		 3jz0B-5jjaA:
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.
3KK6_A_CELA701_1
(PROSTAGLANDIN G/H
SYNTHASE 1)		 4hc6 HOLO-[ACYL-CARRIER-P
ROTEIN] SYNTHASE
(Mycobacterium
tuberculosis) 		5 / 12 LEU A 105
LEU A  75
GLY A   5
ALA A  63
SER A  67
 None
BR  A 211 ( 4.6A)
None
None
None
 1.03A 3kk6A-4hc6A:
1.4		 3kk6A-4hc6A:
14.05
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.
3KPB_C_SAMC1000_0
(UNCHARACTERIZED
PROTEIN MJ0100)		 3fhm UNCHARACTERIZED
PROTEIN ATU1752
(Agrobacterium
fabrum) 		7 / 12 HIS A 105
ILE A  52
THR A  54
ASP A  57
THR A  79
VAL A  82
PRO A 107
 NAI  A 211 ( 4.0A)
AMP  A 200 (-4.0A)
AMP  A 200 (-2.9A)
AMP  A 200 (-2.9A)
AMP  A 200 (-3.5A)
AMP  A 200 ( 4.3A)
AMP  A 200 (-4.7A)
 0.80A 3kpbC-3fhmA:
16.7		 3kpbC-3fhmA:
27.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KPB_C_SAMC1000_0
(UNCHARACTERIZED
PROTEIN MJ0100)		 3fhm UNCHARACTERIZED
PROTEIN ATU1752
(Agrobacterium
fabrum) 		5 / 12 HIS A 105
ILE A 117
ASP A 122
VAL A  16
ILE A  37
 NAI  A 211 ( 4.0A)
NAI  A 211 (-4.2A)
NAI  A 211 (-2.8A)
NAI  A 211 (-3.7A)
NAI  A 211 (-3.8A)
 0.88A 3kpbC-3fhmA:
16.7		 3kpbC-3fhmA:
27.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KPD_C_SAMC1000_1
(UNCHARACTERIZED
PROTEIN MJ0100)		 3fhm UNCHARACTERIZED
PROTEIN ATU1752
(Agrobacterium
fabrum) 		5 / 12 ILE A 117
ASP A 122
VAL A  16
ILE A  37
VAL A  40
 NAI  A 211 (-4.2A)
NAI  A 211 (-2.8A)
NAI  A 211 (-3.7A)
NAI  A 211 (-3.8A)
NAI  A 211 ( 4.5A)
 0.58A 3kpdC-3fhmA:
17.3		 3kpdC-3fhmA:
27.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3L8L_D_DVAD6_0
(GRAMICIDIN D)		 2btd PTS-DEPENDENT
DIHYDROXYACETONE
KINASE
(Escherichia
coli) 		3 / 3 TRP A 134
ALA A 123
VAL A 117
 None
ADP  A1211 ( 4.4A)
None
 1.00A 3l8lC-2btdA:
undetectable
3l8lD-2btdA:
undetectable		 3l8lC-2btdA:
7.52
3l8lD-2btdA:
8.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LPS_A_NOVA901_1
(TOPOISOMERASE IV
SUBUNIT B)		 2xcm CYTOSOLIC HEAT SHOCK
PROTEIN 90
(Hordeum
vulgare) 		5 / 12 ASN A  39
SER A  40
ASP A  42
ASP A  81
THR A 173
 ADP  A1211 ( 2.6A)
ADP  A1211 ( 4.0A)
None
ADP  A1211 (-3.5A)
ADP  A1211 (-3.4A)
 0.32A 3lpsA-2xcmA:
11.9		 3lpsA-2xcmA:
20.73
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.
3LPS_A_NOVA901_1
(TOPOISOMERASE IV
SUBUNIT B)		 2xcm CYTOSOLIC HEAT SHOCK
PROTEIN 90
(Hordeum
vulgare) 		5 / 12 SER A  40
ASP A  42
ASP A  81
ASP A 144
THR A 173
 ADP  A1211 ( 4.0A)
None
ADP  A1211 (-3.5A)
None
ADP  A1211 (-3.4A)
 1.19A 3lpsA-2xcmA:
11.9		 3lpsA-2xcmA:
20.73
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.
3LPS_A_NOVA901_1
(TOPOISOMERASE IV
SUBUNIT B)		 2xcm CYTOSOLIC HEAT SHOCK
PROTEIN 90
(Hordeum
vulgare) 		5 / 12 SER A  40
ASP A  42
ASP A  81
MET A  86
THR A 173
 ADP  A1211 ( 4.0A)
None
ADP  A1211 (-3.5A)
ADP  A1211 (-3.4A)
ADP  A1211 (-3.4A)
 0.69A 3lpsA-2xcmA:
11.9		 3lpsA-2xcmA:
20.73
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.
3MB5_A_SAMA301_0
(SAM-DEPENDENT
METHYLTRANSFERASE)		 4g41 MTA/SAH NUCLEOSIDASE
(Streptococcus
pyogenes) 		5 / 12 ILE A 211
GLY A  75
SER A  76
ILE A 190
ILE A  71
 ILE  A 211 ( 0.7A)
GLY  A  75 ( 0.0A)
SER  A  76 ( 0.0A)
ILE  A 190 ( 0.7A)
ILE  A  71 ( 0.7A)
 1.05A 3mb5A-4g41A:
undetectable		 3mb5A-4g41A:
23.53
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.
3NT1_A_NPSA5_1
(PROSTAGLANDIN-ENDOPE
ROXIDE SYNTHASE 2)		 4hc6 HOLO-[ACYL-CARRIER-P
ROTEIN] SYNTHASE
(Mycobacterium
tuberculosis) 		5 / 12 LEU A 105
LEU A  75
GLY A   5
ALA A  63
SER A  67
 None
BR  A 211 ( 4.6A)
None
None
None
 0.99A 3nt1A-4hc6A:
1.8		 3nt1A-4hc6A:
11.89
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.
3NT1_B_NPSB4_1
(PROSTAGLANDIN-ENDOPE
ROXIDE SYNTHASE 2)		 4hc6 HOLO-[ACYL-CARRIER-P
ROTEIN] SYNTHASE
(Mycobacterium
tuberculosis) 		5 / 12 LEU A 105
LEU A  75
GLY A   5
ALA A  63
SER A  67
 None
BR  A 211 ( 4.6A)
None
None
None
 0.99A 3nt1B-4hc6A:
undetectable		 3nt1B-4hc6A:
11.89
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.
3P5N_A_RBFA190_1
(RIBOFLAVIN UPTAKE
PROTEIN)		 5lal DIRIGENT PROTEIN 6
(Arabidopsis
thaliana) 		5 / 12 LEU A 120
THR A 119
GLY A 129
ALA A 158
LEU A 183
 None
None
None
EDO  A 211 (-3.9A)
None
 1.16A 3p5nA-5lalA:
undetectable		 3p5nA-5lalA:
23.20
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.
3P5N_B_RBFB190_1
(RIBOFLAVIN UPTAKE
PROTEIN)		 5lal DIRIGENT PROTEIN 6
(Arabidopsis
thaliana) 		5 / 12 LEU A 120
THR A 119
GLY A 129
ALA A 158
LEU A 183
 None
None
None
EDO  A 211 (-3.9A)
None
 1.15A 3p5nB-5lalA:
undetectable		 3p5nB-5lalA:
23.20
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.
3P6H_A_IBPA133_1
(FATTY ACID-BINDING
PROTEIN, ADIPOCYTE)		 2jcs DEOXYNUCLEOSIDE
KINASE
(Drosophila
melanogaster) 		4 / 7 ASP A  52
ILE A 164
VAL A 175
TYR A 179
 MG  A1211 ( 2.9A)
None
None
None
 1.08A 3p6hA-2jcsA:
undetectable		 3p6hA-2jcsA:
17.90
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.
3QL6_A_NIMA614_1
(LACTOPEROXIDASE)		 2i82 RIBOSOMAL LARGE
SUBUNIT
PSEUDOURIDINE
SYNTHASE A
(Escherichia
coli) 		4 / 7 GLN A 125
HIS A 162
ARG A 165
PRO A 156
 A  E1211 ( 3.7A)
G  E1210 ( 3.8A)
None
None
 1.42A 3ql6A-2i82A:
undetectable		 3ql6A-2i82A:
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.
3RET_A_SALA201_1
(SALICYLATE
BIOSYNTHESIS PROTEIN
PCHB)		 2rci TYPE-2BA CYTOLYTIC
DELTA-ENDOTOXIN
(Bacillus
thuringiensis) 		5 / 10 ALA A 211
VAL A 107
MET A 110
ILE A 205
ILE A 193
 ALA  A 211 ( 0.0A)
VAL  A 107 ( 0.6A)
MET  A 110 ( 0.0A)
ILE  A 205 ( 0.7A)
ILE  A 193 ( 0.6A)
 1.25A 3retA-2rciA:
undetectable
3retB-2rciA:
undetectable		 3retA-2rciA:
18.27
3retB-2rciA:
18.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3RR3_C_FLRC700_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 4hc6 HOLO-[ACYL-CARRIER-P
ROTEIN] SYNTHASE
(Mycobacterium
tuberculosis) 		5 / 12 LEU A 105
LEU A  75
GLY A   5
ALA A  63
SER A  67
 None
BR  A 211 ( 4.6A)
None
None
None
 1.04A 3rr3C-4hc6A:
undetectable		 3rr3C-4hc6A:
12.86
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.
3RR3_D_FLRD700_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 4hc6 HOLO-[ACYL-CARRIER-P
ROTEIN] SYNTHASE
(Mycobacterium
tuberculosis) 		5 / 12 LEU A 105
LEU A  75
GLY A   5
ALA A  63
SER A  67
 None
BR  A 211 ( 4.6A)
None
None
None
 1.04A 3rr3D-4hc6A:
undetectable		 3rr3D-4hc6A:
12.86
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.
3S3M_A_DLUA398_1
(PFV INTEGRASE)		 3f9k INTEGRASE
(Human
immunodeficiency
virus
2) 		4 / 8 ASP A  64
ASP A 116
GLY A 118
GLN A 148
 MG  A 211 (-2.6A)
MG  A 211 (-2.9A)
None
None
 0.83A 3s3mA-3f9kA:
undetectable		 3s3mA-3f9kA:
19.00
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.
3S3M_A_DLUA398_1
(PFV INTEGRASE)		 3f9k INTEGRASE
(Human
immunodeficiency
virus
2) 		4 / 8 ASP A  64
ASP A 116
GLY A 118
GLU A 152
 MG  A 211 (-2.6A)
MG  A 211 (-2.9A)
None
None
 1.03A 3s3mA-3f9kA:
undetectable		 3s3mA-3f9kA:
19.00
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.
3S3N_A_DLUA398_1
(PFV INTEGRASE)		 3f9k INTEGRASE
(Human
immunodeficiency
virus
2) 		4 / 8 ASP A  64
ASP A 116
GLY A 118
GLN A 148
 MG  A 211 (-2.6A)
MG  A 211 (-2.9A)
None
None
 0.75A 3s3nA-3f9kA:
undetectable		 3s3nA-3f9kA:
19.00
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.
3S3N_A_DLUA398_1
(PFV INTEGRASE)		 3f9k INTEGRASE
(Human
immunodeficiency
virus
2) 		4 / 8 ASP A  64
ASP A 116
GLY A 118
GLU A 152
 MG  A 211 (-2.6A)
MG  A 211 (-2.9A)
None
None
 1.01A 3s3nA-3f9kA:
undetectable		 3s3nA-3f9kA:
19.00
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.
3TBG_A_RTZA1_1
(CYTOCHROME P450 2D6)		 5o27 NEUROGLOBIN
(Mus
musculus) 		5 / 12 LEU A  38
PHE A  42
GLY A 110
LEU A 113
PHE A 106
 HEM  A 201 ( 4.7A)
HEM  A 201 (-3.8A)
None
XE  A 206 ( 4.5A)
XE  A 211 (-4.3A)
 1.19A 3tbgA-5o27A:
undetectable		 3tbgA-5o27A:
14.82
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.
3TBG_B_RTZB1_1
(CYTOCHROME P450 2D6)		 4ikm MALTOSE-BINDING
PERIPLASMIC PROTEIN,
CASPASE RECRUITMENT
DOMAIN-CONTAINING
PROTEIN 8
(Escherichia
coli;
Homo
sapiens) 		5 / 12 PHE A 157
GLY A 301
LEU A 300
GLU A 112
ALA A 232
 None
None
TYI  A 308 ( 4.9A)
MAL  A 501 (-2.9A)
TYI  A 211 ( 3.8A)
 0.83A 3tbgB-4ikmA:
undetectable		 3tbgB-4ikmA:
22.12
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.
3TBG_C_RTZC1_1
(CYTOCHROME P450 2D6)		 5o27 NEUROGLOBIN
(Mus
musculus) 		5 / 12 LEU A  38
PHE A  42
GLY A 110
LEU A 113
PHE A 106
 HEM  A 201 ( 4.7A)
HEM  A 201 (-3.8A)
None
XE  A 206 ( 4.5A)
XE  A 211 (-4.3A)
 1.21A 3tbgC-5o27A:
undetectable		 3tbgC-5o27A:
14.82
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.
3TBG_D_RTZD1_1
(CYTOCHROME P450 2D6)		 4ikm MALTOSE-BINDING
PERIPLASMIC PROTEIN,
CASPASE RECRUITMENT
DOMAIN-CONTAINING
PROTEIN 8
(Escherichia
coli;
Homo
sapiens) 		5 / 12 PHE A 157
GLY A 301
LEU A 300
GLU A 112
ALA A 232
 None
None
TYI  A 308 ( 4.9A)
MAL  A 501 (-2.9A)
TYI  A 211 ( 3.8A)
 0.82A 3tbgD-4ikmA:
undetectable		 3tbgD-4ikmA:
22.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3TVX_A_PNXA902_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4A)		 1soj CGMP-INHIBITED
3',5'-CYCLIC
PHOSPHODIESTERASE B
(Homo
sapiens) 		6 / 9 TYR A 736
PRO A 941
THR A 952
ILE A 955
GLN A 988
PHE A 991
 IBM  A2111 (-4.5A)
None
IBM  A2111 ( 4.8A)
IBM  A2111 (-4.2A)
IBM  A2111 (-3.3A)
IBM  A2111 (-3.6A)
 0.53A 3tvxA-1sojA:
41.2		 3tvxA-1sojA:
30.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3TVX_B_PNXB902_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4A)		 1soj CGMP-INHIBITED
3',5'-CYCLIC
PHOSPHODIESTERASE B
(Homo
sapiens) 		5 / 7 TYR A 736
ILE A 955
PHE A 959
GLN A 988
PHE A 991
 IBM  A2111 (-4.5A)
IBM  A2111 (-4.2A)
None
IBM  A2111 (-3.3A)
IBM  A2111 (-3.6A)
 0.59A 3tvxB-1sojA:
41.3		 3tvxB-1sojA:
30.53
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.
4A6N_A_T1CA392_1
(TETX2 PROTEIN)		 4flx DNA POLYMERASE 1
(Pyrococcus
abyssi) 		5 / 11 GLN A 665
PHE A 152
GLY A 696
ALA A 215
GLY A 211
 GLN  A 665 ( 0.6A)
PHE  A 152 ( 1.3A)
GLY  A 696 ( 0.0A)
ALA  A 215 ( 0.0A)
GLY  A 211 ( 0.0A)
 1.24A 4a6nA-4flxA:
undetectable		 4a6nA-4flxA:
20.43
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.
4A97_I_ZPCI1318_2
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		 2j4x MITOGEN
(Streptococcus
dysgalactiae) 		4 / 6 GLU A 191
PHE A 136
TYR A 171
HIS A 170
 None
None
None
ZN  A1211 (-3.1A)
 1.22A 4a97I-2j4xA:
undetectable		 4a97I-2j4xA:
20.26
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.
4A97_J_ZPCJ1318_2
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		 2j4x MITOGEN
(Streptococcus
dysgalactiae) 		4 / 5 GLU A 191
PHE A 136
TYR A 171
HIS A 170
 None
None
None
ZN  A1211 (-3.1A)
 1.22A 4a97J-2j4xA:
0.0		 4a97J-2j4xA:
20.26
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.
4AN2_A_EUIA1382_2
(DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 1)		 1yz4 DUAL SPECIFICITY
PHOSPHATASE-LIKE 15
ISOFORM A
(Homo
sapiens) 		4 / 4 ASN A  83
SER A  95
LEU A  14
THR A  32
 None
SO4  A 211 ( 4.5A)
None
None
 1.39A 4an2A-1yz4A:
undetectable		 4an2A-1yz4A:
21.21
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.
4BLV_B_SAMB1281_0
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE J)		 3cr3 PTS-DEPENDENT
DIHYDROXYACETONE
KINASE, ADP-BINDING
SUBUNIT DHAL
PTS-DEPENDENT
DIHYDROXYACETONE
KINASE,
PHOSPHOTRANSFERASE
SUBUNIT DHAM
(Lactococcus
lactis;
Lactococcus
lactis) 		5 / 12 HIS C  10
ASP A  36
HIS A  37
GLY A  33
LEU A  28
 None
MG  A1212 (-2.5A)
ADP  A1211 (-4.0A)
None
None
 0.97A 4blvB-3cr3C:
undetectable		 4blvB-3cr3C:
19.03
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.
4C1D_B_X8ZB350_1
(BETA-LACTAMASE CLASS
B VIM-2)		 2xf4 HYDROXYACYLGLUTATHIO
NE HYDROLASE
(Salmonella
enterica) 		5 / 10 HIS A  56
HIS A  58
ASP A  60
HIS A 132
HIS A 192
 None
PG4  A1212 ( 3.7A)
ZN  A1211 ( 2.8A)
None
ZN  A1211 (-3.3A)
 0.79A 4c1dB-2xf4A:
4.9		 4c1dB-2xf4A:
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.
4C1F_A_X8ZA300_1
(BETA-LACTAMASE IMP-1)		 2xf4 HYDROXYACYLGLUTATHIO
NE HYDROLASE
(Salmonella
enterica) 		5 / 11 HIS A  56
HIS A  58
ASP A  60
HIS A 132
HIS A 192
 None
PG4  A1212 ( 3.7A)
ZN  A1211 ( 2.8A)
None
ZN  A1211 (-3.3A)
 0.81A 4c1fA-2xf4A:
19.6
4c1fB-2xf4A:
6.3		 4c1fA-2xf4A:
23.36
4c1fB-2xf4A:
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.
4C1H_A_X8ZA305_1
(BETA-LACTAMASE 2)		 2xf4 HYDROXYACYLGLUTATHIO
NE HYDROLASE
(Salmonella
enterica) 		5 / 9 HIS A  56
HIS A  58
ASP A  60
HIS A 132
HIS A 192
 None
PG4  A1212 ( 3.7A)
ZN  A1211 ( 2.8A)
None
ZN  A1211 (-3.3A)
 0.77A 4c1hA-2xf4A:
20.2		 4c1hA-2xf4A:
22.35
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.
4C1H_A_X8ZA305_1
(BETA-LACTAMASE 2)		 2xf4 HYDROXYACYLGLUTATHIO
NE HYDROLASE
(Salmonella
enterica) 		5 / 9 HIS A  58
ASP A  60
HIS A  56
GLY A 159
HIS A 192
 PG4  A1212 ( 3.7A)
ZN  A1211 ( 2.8A)
None
None
ZN  A1211 (-3.3A)
 1.06A 4c1hA-2xf4A:
20.2		 4c1hA-2xf4A:
22.35
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.
4DCM_A_SAMA401_0
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE G)		 5x2v L-METHIONINE
GAMMA-LYASE
(Pseudomonas
putida) 		5 / 11 ALA A 221
ASP A 218
GLY A 217
GLY A 215
ILE A 219
 None
None
None
LLP  A 211 ( 3.6A)
None
 1.13A 4dcmA-5x2vA:
undetectable		 4dcmA-5x2vA:
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.
4DFB_B_KANB401_1
(APH(2')-ID)		 1k26 NUDIX HOMOLOG
(Pyrobaculum
aerophilum) 		5 / 10 ASP A  93
SER A   5
GLU A  45
GLU A  49
GLU A  33
 GOL  A 209 (-4.2A)
GOL  A 209 ( 4.2A)
None
GOL  A 211 (-3.7A)
None
 1.19A 4dfbB-1k26A:
0.0		 4dfbB-1k26A:
19.50
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.
4DX7_A_DM2A1106_1
(ACRIFLAVINE
RESISTANCE PROTEIN B)		 3cr3 PTS-DEPENDENT
DIHYDROXYACETONE
KINASE, ADP-BINDING
SUBUNIT DHAL
(Lactococcus
lactis) 		5 / 11 SER A  79
MET A  90
PHE A  64
THR A  48
ALA A  51
 ADP  A1211 (-2.8A)
None
None
None
None
 1.37A 4dx7A-3cr3A:
1.5		 4dx7A-3cr3A:
12.51
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.
4EQL_B_SALB602_1
(4-SUBSTITUTED
BENZOATES-GLUTAMATE
LIGASE GH3.12)		 3cr3 PTS-DEPENDENT
DIHYDROXYACETONE
KINASE, ADP-BINDING
SUBUNIT DHAL
PTS-DEPENDENT
DIHYDROXYACETONE
KINASE,
PHOSPHOTRANSFERASE
SUBUNIT DHAM
(Lactococcus
lactis) 		4 / 7 LEU C  67
ILE C  42
THR C  44
GLY A  77
 None
None
None
ADP  A1211 (-3.3A)
 0.92A 4eqlB-3cr3C:
undetectable		 4eqlB-3cr3C:
13.17
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.
4EXS_B_X8ZB301_1
(BETA-LACTAMASE NDM-1)		 2xf4 HYDROXYACYLGLUTATHIO
NE HYDROLASE
(Salmonella
enterica) 		4 / 8 HIS A  58
ASP A  60
HIS A 132
HIS A 192
 PG4  A1212 ( 3.7A)
ZN  A1211 ( 2.8A)
None
ZN  A1211 (-3.3A)
 0.79A 4exsB-2xf4A:
18.5		 4exsB-2xf4A:
23.51
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.
4EYR_B_RITB301_1
(HIV-1 PROTEASE)		 1omo ALANINE
DEHYDROGENASE
(Archaeoglobus
fulgidus) 		4 / 7 LEU A 191
ALA A 215
ILE A 259
THR A 211
 LEU  A 191 ( 0.6A)
ALA  A 215 ( 0.0A)
ILE  A 259 ( 0.6A)
THR  A 211 ( 0.8A)
 0.96A 4eyrA-1omoA:
undetectable		 4eyrA-1omoA:
14.38
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.
4G0V_A_MIXA1301_1
(DNA TOPOISOMERASE
2-BETA)		 3p9x PHOSPHORIBOSYLGLYCIN
AMIDE
FORMYLTRANSFERASE
(Bacillus
halodurans) 		4 / 7 ILE A 108
ASN A  14
GLU A 174
GLN A 124
 None
SO4  A 211 (-4.0A)
None
None
 1.12A 4g0vA-3p9xA:
2.7		 4g0vA-3p9xA:
13.95
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.
4G5J_A_0WMA1102_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		 3j7y UL16
(Homo
sapiens) 		4 / 7 PHE N 128
ILE N 131
TYR N  96
PRO N 153
 None
None
A  A2110 ( 4.5A)
None
 1.11A 4g5jA-3j7yN:
undetectable		 4g5jA-3j7yN:
21.71
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.
4GRQ_C_AVLC203_1
(MACROPHAGE MIGRATION
INHIBITORY FACTOR)		 3ghg FIBRINOGEN GAMMA
CHAIN
(Homo
sapiens) 		4 / 7 PHE C 215
TYR C 211
GLN C 195
PHE C 312
 PHE  C 215 ( 1.3A)
TYR  C 211 ( 1.3A)
GLN  C 195 ( 0.6A)
PHE  C 312 ( 1.3A)
 1.39A 4grqA-3ghgC:
undetectable
4grqC-3ghgC:
undetectable		 4grqA-3ghgC:
13.33
4grqC-3ghgC:
13.33
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.
4GRQ_C_AVLC203_1
(MACROPHAGE MIGRATION
INHIBITORY FACTOR)		 3ghg FIBRINOGEN GAMMA
CHAIN
(Homo
sapiens) 		4 / 7 PHE C 215
TYR C 211
TRP C 227
PHE C 312
 PHE  C 215 ( 1.3A)
TYR  C 211 ( 1.3A)
TRP  C 227 ( 0.5A)
PHE  C 312 ( 1.3A)
 1.29A 4grqA-3ghgC:
undetectable
4grqC-3ghgC:
undetectable		 4grqA-3ghgC:
13.33
4grqC-3ghgC:
13.33
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.
4HBF_A_DXCA75_0
(PPCA)		 5xyi RIBOSOMAL PROTEIN
S19E, PUTATIVE
(Trichomonas
vaginalis) 		4 / 7 ILE T 107
LEU T 111
LYS T 125
GLY T 126
 None
None
G  21177 ( 4.2A)
G  21306 ( 4.3A)
 0.94A 4hbfA-5xyiT:
undetectable		 4hbfA-5xyiT:
21.05
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.
4L39_A_SALA602_1
(4-SUBSTITUTED
BENZOATES-GLUTAMATE
LIGASE GH3.12)		 3cr3 PTS-DEPENDENT
DIHYDROXYACETONE
KINASE, ADP-BINDING
SUBUNIT DHAL
PTS-DEPENDENT
DIHYDROXYACETONE
KINASE,
PHOSPHOTRANSFERASE
SUBUNIT DHAM
(Lactococcus
lactis) 		4 / 6 LEU C  67
ILE C  42
THR C  44
GLY A  77
 None
None
None
ADP  A1211 (-3.3A)
 0.86A 4l39A-3cr3C:
undetectable		 4l39A-3cr3C:
13.17
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.
4L39_B_SALB601_1
(4-SUBSTITUTED
BENZOATES-GLUTAMATE
LIGASE GH3.12)		 3cr3 PTS-DEPENDENT
DIHYDROXYACETONE
KINASE, ADP-BINDING
SUBUNIT DHAL
PTS-DEPENDENT
DIHYDROXYACETONE
KINASE,
PHOSPHOTRANSFERASE
SUBUNIT DHAM
(Lactococcus
lactis) 		4 / 7 LEU C  67
ILE C  42
THR C  44
GLY A  77
 None
None
None
ADP  A1211 (-3.3A)
 0.88A 4l39B-3cr3C:
undetectable		 4l39B-3cr3C:
13.17
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.
4MA8_C_Z80C301_1
(MAJOR PRION PROTEIN)		 1txu RAB5 GDP/GTP
EXCHANGE FACTOR
(Homo
sapiens) 		4 / 5 LEU A 146
GLY A 153
ILE A 211
GLN A 210
 LEU  A 146 ( 0.6A)
GLY  A 153 ( 0.0A)
ILE  A 211 ( 0.7A)
GLN  A 210 ( 0.6A)
 1.08A 4ma8C-1txuA:
2.1		 4ma8C-1txuA:
15.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4NJT_D_017D101_1
(PROTEASE)		 1omo ALANINE
DEHYDROGENASE
(Archaeoglobus
fulgidus) 		5 / 11 LEU A 191
ASP A 289
ILE A 236
THR A 211
ILE A 213
 LEU  A 191 ( 0.6A)
ASP  A 289 ( 0.6A)
ILE  A 236 ( 0.7A)
THR  A 211 ( 0.8A)
ILE  A 213 ( 0.7A)
 0.93A 4njtC-1omoA:
undetectable		 4njtC-1omoA:
14.69
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.
4OKW_A_198A1001_1
(ANDROGEN RECEPTOR)		 2vbf BRANCHED-CHAIN
ALPHA-KETOACID
DECARBOXYLASE
(Lactococcus
lactis) 		5 / 12 LEU A 261
GLY A 259
THR A 237
ILE A 211
VAL A 209
 LEU  A 261 ( 0.6A)
GLY  A 259 ( 0.0A)
THR  A 237 ( 0.8A)
ILE  A 211 ( 0.7A)
VAL  A 209 ( 0.6A)
 1.14A 4okwA-2vbfA:
undetectable		 4okwA-2vbfA:
16.44
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.
4QA0_A_SHHA404_2
(HISTONE DEACETYLASE
8)		 5x2v L-METHIONINE
GAMMA-LYASE
(Pseudomonas
putida) 		3 / 3 PRO A 159
MET A 164
TYR A 189
 None
None
LLP  A 211 ( 4.6A)
 1.09A 4qa0B-5x2vA:
3.6		 4qa0B-5x2vA:
22.74
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.
4QA0_B_SHHB404_1
(HISTONE DEACETYLASE
8)		 5x2v L-METHIONINE
GAMMA-LYASE
(Pseudomonas
putida) 		3 / 3 PRO A 159
MET A 164
TYR A 189
 None
None
LLP  A 211 ( 4.6A)
 1.06A 4qa0A-5x2vA:
undetectable		 4qa0A-5x2vA:
22.74
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.
4QD3_A_5AEA201_1
(PEPTIDYL-TRNA
HYDROLASE)		 5x5l ADER
(Acinetobacter
baumannii) 		5 / 9 LEU A 192
GLY A 234
ASN A 229
VAL A 207
VAL A 211
 LEU  A 192 ( 0.6A)
GLY  A 234 ( 0.0A)
ASN  A 229 ( 0.6A)
VAL  A 207 ( 0.6A)
VAL  A 211 ( 0.6A)
 0.98A 4qd3A-5x5lA:
undetectable		 4qd3A-5x5lA:
19.59
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.
4TVT_A_ASCA301_0
(THAUMATIN-1)		 4cyf PANTETHEINASE
(Homo
sapiens) 		3 / 3 THR A 236
ASN A 266
SER A 265
 CSO  A 211 ( 4.3A)
None
None
 0.73A 4tvtA-4cyfA:
undetectable		 4tvtA-4cyfA:
16.67
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.
4UCH_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3rq0 GLYCOSYL HYDROLASES
FAMILY PROTEIN 16
(Mycolicibacteriu
m
smegmatis) 		4 / 8 TRP A 138
GLU A 155
VAL A 184
TRP A 156
 GOL  A 278 (-3.7A)
GOL  A 278 (-3.4A)
None
211  A 280 ( 4.7A)
 1.08A 4uchA-3rq0A:
undetectable
4uchB-3rq0A:
undetectable		 4uchA-3rq0A:
21.26
4uchB-3rq0A:
21.26
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.
4URN_A_NOVA2000_1
(DNA TOPOISOMERASE
IV, B SUBUNIT)		 2xcm CYTOSOLIC HEAT SHOCK
PROTEIN 90
(Hordeum
vulgare) 		5 / 11 ASN A  39
SER A  40
ASP A  42
ASP A  81
THR A 173
 ADP  A1211 ( 2.6A)
ADP  A1211 ( 4.0A)
None
ADP  A1211 (-3.5A)
ADP  A1211 (-3.4A)
 0.34A 4urnA-2xcmA:
11.9		 4urnA-2xcmA:
23.90
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.
4URN_A_NOVA2000_1
(DNA TOPOISOMERASE
IV, B SUBUNIT)		 2xcm CYTOSOLIC HEAT SHOCK
PROTEIN 90
(Hordeum
vulgare) 		5 / 11 SER A  40
ASP A  42
ASP A  81
MET A  86
THR A 173
 ADP  A1211 ( 4.0A)
None
ADP  A1211 (-3.5A)
ADP  A1211 (-3.4A)
ADP  A1211 (-3.4A)
 0.69A 4urnA-2xcmA:
11.9		 4urnA-2xcmA:
23.90
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.
4URN_B_NOVB2000_1
(DNA TOPOISOMERASE
IV, B SUBUNIT)		 2xcm CYTOSOLIC HEAT SHOCK
PROTEIN 90
(Hordeum
vulgare) 		5 / 11 ASN A  39
SER A  40
ASP A  42
ASP A  81
THR A 173
 ADP  A1211 ( 2.6A)
ADP  A1211 ( 4.0A)
None
ADP  A1211 (-3.5A)
ADP  A1211 (-3.4A)
 0.42A 4urnB-2xcmA:
11.3		 4urnB-2xcmA:
23.90
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.
4URN_B_NOVB2000_1
(DNA TOPOISOMERASE
IV, B SUBUNIT)		 2xcm CYTOSOLIC HEAT SHOCK
PROTEIN 90
(Hordeum
vulgare) 		5 / 11 SER A  40
ASP A  42
ASP A  81
MET A  86
THR A 173
 ADP  A1211 ( 4.0A)
None
ADP  A1211 (-3.5A)
ADP  A1211 (-3.4A)
ADP  A1211 (-3.4A)
 0.72A 4urnB-2xcmA:
11.3		 4urnB-2xcmA:
23.90
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.
4URN_C_NOVC2000_1
(DNA TOPOISOMERASE
IV, B SUBUNIT)		 2xcm CYTOSOLIC HEAT SHOCK
PROTEIN 90
(Hordeum
vulgare) 		5 / 11 ASN A  39
SER A  40
ASP A  42
ASP A  81
THR A 173
 ADP  A1211 ( 2.6A)
ADP  A1211 ( 4.0A)
None
ADP  A1211 (-3.5A)
ADP  A1211 (-3.4A)
 0.39A 4urnC-2xcmA:
11.7		 4urnC-2xcmA:
23.90
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.
4URN_C_NOVC2000_1
(DNA TOPOISOMERASE
IV, B SUBUNIT)		 2xcm CYTOSOLIC HEAT SHOCK
PROTEIN 90
(Hordeum
vulgare) 		5 / 11 SER A  40
ASP A  42
ASP A  81
MET A  86
THR A 173
 ADP  A1211 ( 4.0A)
None
ADP  A1211 (-3.5A)
ADP  A1211 (-3.4A)
ADP  A1211 (-3.4A)
 0.69A 4urnC-2xcmA:
11.7		 4urnC-2xcmA:
23.90
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.
4WG0_H_CHDH103_0
(NUCLEAR RECEPTOR
COACTIVATOR 2)		 1mbx ATP-DEPENDENT CLP
PROTEASE ATP-BINDING
SUBUNIT CLP A
(Escherichia
coli) 		5 / 11 LEU A  35
LEU A  31
GLU A  42
LEU A  44
LEU A 109
 None
None
YBT  A 211 (-2.4A)
None
None
 1.22A 4wg0H-1mbxA:
undetectable
4wg0I-1mbxA:
undetectable
4wg0J-1mbxA:
undetectable		 4wg0H-1mbxA:
8.21
4wg0I-1mbxA:
8.21
4wg0J-1mbxA:
8.21
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.
4WG0_M_CHDM103_0
(NUCLEAR RECEPTOR
COACTIVATOR 2)		 1mbx ATP-DEPENDENT CLP
PROTEASE ATP-BINDING
SUBUNIT CLP A
(Escherichia
coli) 		5 / 11 LEU A 109
GLU A  42
LEU A  44
LEU A  35
LEU A  31
 None
YBT  A 211 (-2.4A)
None
None
None
 1.13A 4wg0K-1mbxA:
undetectable
4wg0L-1mbxA:
undetectable
4wg0M-1mbxA:
undetectable		 4wg0K-1mbxA:
8.21
4wg0L-1mbxA:
8.21
4wg0M-1mbxA:
8.21
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.
4XI3_C_29SC601_1
(ESTROGEN RECEPTOR)		 1yio RESPONSE REGULATORY
PROTEIN
(Pseudomonas
fluorescens) 		5 / 12 ALA A  27
LEU A 113
LEU A 112
GLY A 119
LEU A 120
 None
None
None
None
HG  A 211 (-2.6A)
 1.06A 4xi3C-1yioA:
undetectable		 4xi3C-1yioA:
21.67
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.
4YMG_B_SAMB1001_0
(PUTATIVE
SAM-DEPENDENT
O-METHYLTRANFERASE)		 3rq0 GLYCOSYL HYDROLASES
FAMILY PROTEIN 16
(Mycolicibacteriu
m
smegmatis) 		5 / 12 GLY A 158
TYR A 157
SER A 244
ALA A 137
TYR A 254
 211  A 280 (-3.5A)
PG4  A 274 ( 4.7A)
PG4  A 273 ( 4.6A)
None
None
 1.06A 4ymgB-3rq0A:
undetectable		 4ymgB-3rq0A:
24.01
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.
4ZJL_A_ERYA1101_0
(MULTIDRUG EFFLUX
PUMP SUBUNIT ACRB)		 5ep8 PYRIMIDINE-NUCLEOSID
E PHOSPHORYLASE
(Bacillus
subtilis) 		5 / 12 SER A 347
GLU A 348
GLU A 211
THR A 202
GLY A 203
 SER  A 347 ( 0.0A)
GLU  A 348 ( 0.6A)
GLU  A 211 ( 0.6A)
THR  A 202 ( 0.8A)
GLY  A 203 ( 0.0A)
 1.45A 4zjlA-5ep8A:
undetectable		 4zjlA-5ep8A:
18.98
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.
5A5Z_A_WJZA304_0
(BETA-LACTAMASE NDM-1)		 2xf4 HYDROXYACYLGLUTATHIO
NE HYDROLASE
(Salmonella
enterica) 		4 / 8 HIS A  58
ASP A  60
HIS A 132
HIS A 192
 PG4  A1212 ( 3.7A)
ZN  A1211 ( 2.8A)
None
ZN  A1211 (-3.3A)
 0.77A 5a5zA-2xf4A:
5.0		 5a5zA-2xf4A:
22.68
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.
5AYA_A_X8ZA307_1
(METALLO-BETA-LACTAMA
SE)		 2xf4 HYDROXYACYLGLUTATHIO
NE HYDROLASE
(Salmonella
enterica) 		6 / 11 HIS A  56
HIS A  58
ASP A  60
HIS A  61
HIS A 132
HIS A 192
 None
PG4  A1212 ( 3.7A)
ZN  A1211 ( 2.8A)
ZN  A1211 (-3.3A)
None
ZN  A1211 (-3.3A)
 0.48A 5ayaA-2xf4A:
17.5		 5ayaA-2xf4A:
24.00
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.
5B1B_P_CHDP307_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3kky SUPEROXIDE DISMUTASE
[MN]
(Deinococcus
radiodurans) 		4 / 7 HIS A  26
ASP A  12
TYR A   9
HIS A  30
 MN  A 211 (-3.3A)
None
None
None
 1.48A 5b1bN-3kkyA:
undetectable
5b1bP-3kkyA:
undetectable		 5b1bN-3kkyA:
17.32
5b1bP-3kkyA:
19.32
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.
5D4U_A_SAMA301_0
(UNCHARACTERIZED
PROTEIN MJ0489)		 3wd7 TYPE III POLYKETIDE
SYNTHASES ACRIDONE
SYNTHASE
(Citrus
x
microcarpa) 		5 / 12 GLY A 256
ILE A 258
THR A 264
GLY A 262
GLY A 211
 GLY  A 256 ( 0.0A)
ILE  A 258 ( 0.4A)
THR  A 264 ( 0.8A)
GLY  A 262 ( 0.0A)
GLY  A 211 ( 0.0A)
 1.11A 5d4uA-3wd7A:
undetectable		 5d4uA-3wd7A:
21.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5E8Q_A_FOLA201_1
(DIHYDROFOLATE
REDUCTASE)		 1yz4 DUAL SPECIFICITY
PHOSPHATASE-LIKE 15
ISOFORM A
(Homo
sapiens) 		3 / 3 ASP A  57
LEU A  14
ARG A 122
 SO4  A 211 ( 4.2A)
None
None
 0.84A 5e8qA-1yz4A:
undetectable		 5e8qA-1yz4A:
20.79
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.
5G48_A_1FLA1375_1
(DNA POLYMERASE III
SUBUNIT BETA)		 5xyi 40S RIBOSOMAL
PROTEIN S17-B,
PUTATIVE
(Trichomonas
vaginalis) 		4 / 8 THR R  55
LEU R  57
ILE R  17
LEU R  61
 C  21198 ( 3.9A)
None
None
None
 0.93A 5g48A-5xyiR:
undetectable		 5g48A-5xyiR:
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.
5GLM_A_ACTA613_0
(GLYCOSIDE HYDROLASE
FAMILY 43)		 2yof THYMIDYLATE KINASE
(Plasmodium
falciparum) 		3 / 3 ASP A  17
SER A 103
TYR A 107
 74W  A 211 (-2.6A)
74W  A 211 ( 4.4A)
74W  A 211 (-3.5A)
 0.83A 5glmA-2yofA:
undetectable		 5glmA-2yofA:
17.87
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.
5HGC_A_HCYA501_1
(SERPIN)		 5xxu RIBOSOMAL PROTEIN
US10
RIBOSOMAL PROTEIN
US14
(Toxoplasma
gondii) 		5 / 12 VAL d  21
THR U 179
PHE U 194
GLN d  47
PHE d  41
 None
G  21194 ( 4.2A)
None
None
None
 1.37A 5hgcA-5xxud:
undetectable		 5hgcA-5xxud:
8.87
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.
5HM8_G_ADNG501_2
(ADENOSYLHOMOCYSTEINA
SE)		 1k26 NUDIX HOMOLOG
(Pyrobaculum
aerophilum) 		4 / 5 THR A   4
GLU A  49
THR A  50
LEU A   8
 None
GOL  A 211 (-3.7A)
None
None
 1.23A 5hm8G-1k26A:
undetectable		 5hm8G-1k26A:
14.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IKT_A_TLFA601_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 5x2v L-METHIONINE
GAMMA-LYASE
(Pseudomonas
putida) 		3 / 3 LEU A 341
TYR A 114
SER A 208
 LLP  A 211 ( 4.6A)
LLP  A 211 ( 3.5A)
LLP  A 211 ( 2.7A)
 0.84A 5iktA-5x2vA:
undetectable		 5iktA-5x2vA:
20.89
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.
5JO9_A_SORA302_0
(RIBITOL
2-DEHYDROGENASE)		 5ys3 SUCCINATE-ACETATE
PERMEASE
(Citrobacter
koseri) 		5 / 12 TYR A  72
LEU A 103
GLY A 104
VAL A 108
LEU A 138
 ACT  A 203 (-4.0A)
ACT  A 201 ( 4.9A)
78M  A 211 ( 4.0A)
78M  A 211 (-4.5A)
ACT  A 201 (-4.1A)
 1.39A 5jo9A-5ys3A:
undetectable		 5jo9A-5ys3A:
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.
5JW1_B_CELB602_2
(PROSTAGLANDIN G/H
SYNTHASE 2)		 4cyf PANTETHEINASE
(Homo
sapiens) 		4 / 6 VAL A 248
SER A 252
ILE A 214
PHE A 234
 None
None
CSO  A 211 ( 3.9A)
CSO  A 211 ( 4.0A)
 0.99A 5jw1B-4cyfA:
undetectable		 5jw1B-4cyfA:
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.
5L5F_Y_BO2Y301_1
(PROTEASOME SUBUNIT
BETA
TYPE-8,PROTEASOME
SUBUNIT BETA TYPE-5
PROTEASOME SUBUNIT
BETA
TYPE-6,PROTEASOME
SUBUNIT BETA
TYPE-1,PROTEASOME
SUBUNIT BETA
TYPE-6,PROTEASOME
SUBUNIT BETA
TYPE-1,PROTEASOME
SUBUNIT BETA TYPE-6)		 1t6p PHENYLALANINE
AMMONIA-LYASE
(Rhodotorula
toruloides) 		4 / 8 THR A 513
ALA A 506
ASP A 214
SER A 210
 None
None
175  A 211 ( 4.2A)
175  A 211 ( 4.7A)
 1.10A 5l5fY-1t6pA:
undetectable
5l5fZ-1t6pA:
undetectable		 5l5fY-1t6pA:
14.89
5l5fZ-1t6pA:
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.
5L6E_A_SAMA601_0
(N6-ADENOSINE-METHYLT
RANSFERASE 70 KDA
SUBUNIT)		 2xcm CYTOSOLIC HEAT SHOCK
PROTEIN 90
(Hordeum
vulgare) 		5 / 12 ILE A 119
LEU A 110
PHE A 106
GLY A 123
GLY A 120
 None
None
None
ADP  A1211 (-2.9A)
MG  A1212 ( 4.9A)
 1.18A 5l6eA-2xcmA:
undetectable		 5l6eA-2xcmA:
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.
5NZW_A_9F2A1102_1
(DNA CROSS-LINK
REPAIR 1A PROTEIN)		 2xf4 HYDROXYACYLGLUTATHIO
NE HYDROLASE
(Salmonella
enterica) 		5 / 10 HIS A  56
HIS A  58
HIS A  61
HIS A 132
ASP A 151
 None
PG4  A1212 ( 3.7A)
ZN  A1211 (-3.3A)
None
ZN  A1211 (-2.4A)
 0.51A 5nzwA-2xf4A:
2.4		 5nzwA-2xf4A:
21.51
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.
5O96_C_SAMC501_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE E)		 2btd PTS-DEPENDENT
DIHYDROXYACETONE
KINASE
(Escherichia
coli) 		4 / 7 GLY A 126
SER A 164
THR A 129
ALA A 194
 None
None
ADP  A1211 (-3.6A)
None
 0.79A 5o96C-2btdA:
undetectable		 5o96C-2btdA:
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.
5OEX_A_CUA604_0
(THIOCYANATE
DEHYDROGENASE)		 1soj CGMP-INHIBITED
3',5'-CYCLIC
PHOSPHODIESTERASE B
(Homo
sapiens) 		3 / 3 HIS A 741
HIS A 737
HIS A 825
 MG  A2123 (-3.0A)
IBM  A2111 ( 4.8A)
None
 1.00A 5oexA-1sojA:
undetectable		 5oexA-1sojA:
21.44
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.
5SYJ_A_NIZA810_1
(CATALASE-PEROXIDASE)		 5x2v L-METHIONINE
GAMMA-LYASE
(Pseudomonas
putida) 		4 / 6 ARG A 265
HIS A 269
LEU A 341
SER A 214
 None
None
LLP  A 211 ( 4.6A)
LLP  A 211 ( 4.7A)
 1.09A 5syjA-5x2vA:
undetectable		 5syjA-5x2vA:
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.
5SYJ_B_NIZB810_1
(CATALASE-PEROXIDASE)		 5x2v L-METHIONINE
GAMMA-LYASE
(Pseudomonas
putida) 		4 / 6 ARG A 265
HIS A 269
LEU A 341
SER A 214
 None
None
LLP  A 211 ( 4.6A)
LLP  A 211 ( 4.7A)
 1.13A 5syjB-5x2vA:
undetectable		 5syjB-5x2vA:
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.
5TDZ_A_ADNA905_1
(ATP-CITRATE SYNTHASE)		 2btd PTS-DEPENDENT
DIHYDROXYACETONE
KINASE
(Escherichia
coli) 		4 / 6 THR A 195
ASP A 191
LEU A  29
ASP A  30
 None
ADP  A1211 (-2.5A)
None
MG  A1212 ( 2.3A)
 1.10A 5tdzA-2btdA:
undetectable		 5tdzA-2btdA:
19.48
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.
5TE8_C_08JC602_1
(CYTOCHROME P450 3A4)		 2q04 ACETOIN UTILIZATION
PROTEIN
(Exiguobacterium
sibiricum) 		4 / 7 LEU A  97
ALA A  99
ILE A  54
LEU A  78
 None
CA  A 211 ( 4.8A)
None
None
 0.82A 5te8C-2q04A:
undetectable		 5te8C-2q04A:
18.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5U6M_A_SALA503_1
(UDP-GLYCOSYLTRANSFER
ASE 74F2)		 3kky SUPEROXIDE DISMUTASE
[MN]
(Deinococcus
radiodurans) 		4 / 7 THR A  22
HIS A  26
PHE A  83
MET A  87
 None
MN  A 211 (-3.3A)
None
None
 1.37A 5u6mA-3kkyA:
undetectable		 5u6mA-3kkyA:
17.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5U6M_B_SALB503_1
(UDP-GLYCOSYLTRANSFER
ASE 74F2)		 3kky SUPEROXIDE DISMUTASE
[MN]
(Deinococcus
radiodurans) 		4 / 7 THR A  22
HIS A  26
PHE A  83
MET A  87
 None
MN  A 211 (-3.3A)
None
None
 1.35A 5u6mB-3kkyA:
undetectable		 5u6mB-3kkyA:
17.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5UL4_A_SAMA803_0
(OXSB PROTEIN)		 3dez OROTATE
PHOSPHORIBOSYLTRANSF
ERASE
(Streptococcus
mutans) 		5 / 12 ALA A  74
ARG A  40
GLY A  77
GLY A  81
ILE A  83
 None
SO4  A 211 (-4.1A)
None
None
None
 1.14A 5ul4A-3dezA:
2.7		 5ul4A-3dezA:
17.05
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.
5VKQ_B_PCFB1806_0
(NO MECHANORECEPTOR
POTENTIAL C ISOFORM
L)		 2j5b TYROSYL-TRNA
SYNTHETASE
(Acanthamoeba
polyphaga
mimivirus) 		4 / 6 ILE A  11
ILE A  45
LEU A 213
HIS A 211
 ILE  A  11 ( 0.7A)
ILE  A  45 ( 0.7A)
LEU  A 213 ( 0.6A)
HIS  A 211 ( 1.0A)
 0.99A 5vkqB-2j5bA:
undetectable
5vkqC-2j5bA:
undetectable		 5vkqB-2j5bA:
12.28
5vkqC-2j5bA:
12.28
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.
5VKQ_C_PCFC1807_0
(NO MECHANORECEPTOR
POTENTIAL C ISOFORM
L)		 2j5b TYROSYL-TRNA
SYNTHETASE
(Acanthamoeba
polyphaga
mimivirus) 		4 / 6 ILE A  11
ILE A  45
LEU A 213
HIS A 211
 ILE  A  11 ( 0.7A)
ILE  A  45 ( 0.7A)
LEU  A 213 ( 0.6A)
HIS  A 211 ( 1.0A)
 0.96A 5vkqC-2j5bA:
undetectable
5vkqD-2j5bA:
undetectable		 5vkqC-2j5bA:
12.28
5vkqD-2j5bA:
12.28
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.
5VLM_E_CVIE301_1
(REGULATORY PROTEIN
TETR)		 3cr3 PTS-DEPENDENT
DIHYDROXYACETONE
KINASE, ADP-BINDING
SUBUNIT DHAL
(Lactococcus
lactis) 		4 / 7 GLN A 118
GLY A 120
TYR A  83
ASP A 174
 None
None
None
ADP  A1211 (-2.7A)
 0.90A 5vlmE-3cr3A:
undetectable		 5vlmE-3cr3A:
21.96
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.
5VOO_E_C2FE3001_0
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 1yio RESPONSE REGULATORY
PROTEIN
(Pseudomonas
fluorescens) 		5 / 12 ARG A  44
GLY A  50
GLY A  98
ARG A 130
ILE A  79
 None
HG  A 211 (-4.1A)
None
None
None
 1.05A 5vooE-1yioA:
2.8		 5vooE-1yioA:
22.19
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.
5X19_P_CHDP306_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3kky SUPEROXIDE DISMUTASE
[MN]
(Deinococcus
radiodurans) 		4 / 6 HIS A  26
ASP A  12
TYR A   9
HIS A  30
 MN  A 211 (-3.3A)
None
None
None
 1.49A 5x19N-3kkyA:
undetectable
5x19P-3kkyA:
undetectable		 5x19N-3kkyA:
17.32
5x19P-3kkyA:
19.32
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.
5YOD_H_BEZH201_0
(NS3 PROTEASE)		 3ghg FIBRINOGEN GAMMA
CHAIN
(Homo
sapiens) 		4 / 5 HIS C 343
SER C 332
TYR C 211
GLY C 333
 HIS  C 343 ( 1.0A)
SER  C 332 ( 0.0A)
TYR  C 211 ( 1.3A)
GLY  C 333 ( 0.0A)
 1.37A 5yodH-3ghgC:
undetectable		 5yodH-3ghgC:
19.16
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.
5ZJ8_A_9DCA303_0
(METALLO-BETA-LACTAMA
SE TYPE 2)		 2xf4 HYDROXYACYLGLUTATHIO
NE HYDROLASE
(Salmonella
enterica) 		4 / 8 HIS A  58
ASP A  60
HIS A 132
HIS A 192
 PG4  A1212 ( 3.7A)
ZN  A1211 ( 2.8A)
None
ZN  A1211 (-3.3A)
 0.84A 5zj8A-2xf4A:
18.7		 5zj8A-2xf4A:
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.
6AG0_A_ACRA606_0
(ALPHA-AMYLASE)		 3rq0 GLYCOSYL HYDROLASES
FAMILY PROTEIN 16
(Mycolicibacteriu
m
smegmatis) 		5 / 7 GLY A 251
GLY A 252
GLY A 136
GLY A 246
GLY A 158
 None
None
None
None
211  A 280 (-3.5A)
 0.98A 6ag0A-3rq0A:
undetectable		 6ag0A-3rq0A:
13.21
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.
6AP6_A_TLFA300_0
(PROBABLE
STRIGOLACTONE
ESTERASE DAD2)		 4cyf PANTETHEINASE
(Homo
sapiens) 		5 / 12 VAL A 224
PHE A 234
PHE A 250
VAL A 260
PHE A 262
 None
CSO  A 211 ( 4.0A)
None
None
None
 1.30A 6ap6A-4cyfA:
undetectable		 6ap6A-4cyfA:
18.79
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.
6AP6_B_TLFB300_0
(PROBABLE
STRIGOLACTONE
ESTERASE DAD2)		 4cyf PANTETHEINASE
(Homo
sapiens) 		5 / 12 VAL A 224
PHE A 234
PHE A 250
VAL A 260
PHE A 262
 None
CSO  A 211 ( 4.0A)
None
None
None
 1.32A 6ap6B-4cyfA:
undetectable		 6ap6B-4cyfA:
18.79
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.
6AUU_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3rq0 GLYCOSYL HYDROLASES
FAMILY PROTEIN 16
(Mycolicibacteriu
m
smegmatis) 		4 / 7 VAL A 184
TRP A 156
TRP A 138
GLU A 155
 None
211  A 280 ( 4.7A)
GOL  A 278 (-3.7A)
GOL  A 278 (-3.4A)
 1.08A 6auuA-3rq0A:
undetectable
6auuB-3rq0A:
undetectable		 6auuA-3rq0A:
15.44
6auuB-3rq0A:
15.44
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.
6AZ3_1_PAR11803_1
(RRNA ALPHA
RIBOSOMAL PROTEIN
EL18)		 3clv RAB5 PROTEIN,
PUTATIVE
(Plasmodium
falciparum) 		3 / 3 SER A  21
LYS A  20
SER A  22
 GDP  A 211 (-2.6A)
GDP  A 211 (-2.8A)
GDP  A 211 (-2.7A)
 0.81A 6az3P-3clvA:
undetectable		 6az3P-3clvA:
19.25
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.
6BXL_B_SAMB401_0
(2-(3-AMINO-3-CARBOXY
PROPYL)HISTIDINE
SYNTHASE)		 5jb3 30S RIBOSOMAL
PROTEIN S10
(Pyrococcus
abyssi) 		5 / 12 LEU L  72
VAL L  90
ARG L  71
VAL L  19
ASP L  17
 None
None
G  21112 ( 4.0A)
None
G  21112 ( 4.7A)
 1.25A 6bxlB-5jb3L:
undetectable		 6bxlB-5jb3L:
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.
6C06_D_FI8D1404_1
(DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA')		 3vib MTRR
(Neisseria
gonorrhoeae) 		3 / 3 ARG A 137
LYS A 167
ARG A  98
 None
PO4  A 211 ( 2.6A)
None
 1.27A 6c06D-3vibA:
3.5		 6c06D-3vibA:
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.
6E43_A_BEZA502_0
(INDOLEAMINE
2,3-DIOXYGENASE 1)		 5svd NUCLEOLAR PROTEIN 9
(Saccharomyces
cerevisiae) 		4 / 6 LEU A 211
LEU A 208
ARG A 207
HIS A 204
 LEU  A 211 ( 0.6A)
LEU  A 208 ( 0.5A)
ARG  A 207 ( 0.6A)
HIS  A 204 ( 1.0A)
 0.90A 6e43A-5svdA:
1.7		 6e43A-5svdA:
21.32
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.
6E43_B_BEZB502_0
(INDOLEAMINE
2,3-DIOXYGENASE 1)		 5svd NUCLEOLAR PROTEIN 9
(Saccharomyces
cerevisiae) 		4 / 6 LEU A 211
LEU A 208
ARG A 207
HIS A 204
 LEU  A 211 ( 0.6A)
LEU  A 208 ( 0.5A)
ARG  A 207 ( 0.6A)
HIS  A 204 ( 1.0A)
 0.92A 6e43B-5svdA:
3.3		 6e43B-5svdA:
21.32
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.
6E43_D_BEZD502_0
(INDOLEAMINE
2,3-DIOXYGENASE 1)		 5svd NUCLEOLAR PROTEIN 9
(Saccharomyces
cerevisiae) 		4 / 6 LEU A 211
LEU A 208
ARG A 207
HIS A 204
 LEU  A 211 ( 0.6A)
LEU  A 208 ( 0.5A)
ARG  A 207 ( 0.6A)
HIS  A 204 ( 1.0A)
 0.85A 6e43D-5svdA:
1.9		 6e43D-5svdA:
21.32
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.
6EBP_B_DAHB123_0
(RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE,
BETA SUBUNIT)		 5hiu GTPASE
ACTIVATOR-LIKE
PROTEIN
(Chaetomium
thermophilum) 		5 / 10 PHE A 207
LEU A 210
THR A 211
GLY A 276
ILE A 274
 PHE  A 207 ( 1.3A)
LEU  A 210 ( 0.5A)
THR  A 211 ( 0.8A)
GLY  A 276 ( 0.0A)
ILE  A 274 ( 0.7A)
 0.87A 6ebpB-5hiuA:
undetectable		 6ebpB-5hiuA:
9.50
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.
6EBP_C_DAHC123_0
(RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE,
BETA SUBUNIT)		 5hiu GTPASE
ACTIVATOR-LIKE
PROTEIN
(Chaetomium
thermophilum) 		5 / 10 PHE A 207
LEU A 210
THR A 211
GLY A 276
ILE A 274
 PHE  A 207 ( 1.3A)
LEU  A 210 ( 0.5A)
THR  A 211 ( 0.8A)
GLY  A 276 ( 0.0A)
ILE  A 274 ( 0.7A)
 0.89A 6ebpC-5hiuA:
undetectable		 6ebpC-5hiuA:
9.50
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.
6EBP_D_DAHD123_0
(RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE,
BETA SUBUNIT)		 5hiu GTPASE
ACTIVATOR-LIKE
PROTEIN
(Chaetomium
thermophilum) 		6 / 10 PHE A 207
LEU A 210
THR A 211
GLY A 276
ILE A 274
ILE A 262
 PHE  A 207 ( 1.3A)
LEU  A 210 ( 0.5A)
THR  A 211 ( 0.8A)
GLY  A 276 ( 0.0A)
ILE  A 274 ( 0.7A)
ILE  A 262 ( 0.7A)
 0.97A 6ebpD-5hiuA:
undetectable		 6ebpD-5hiuA:
9.50
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.
6EBZ_A_DAHA123_0
(RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE,
BETA SUBUNIT)		 5hiu GTPASE
ACTIVATOR-LIKE
PROTEIN
(Chaetomium
thermophilum) 		6 / 11 PHE A 207
LEU A 210
THR A 211
GLY A 276
ILE A 274
ILE A 262
 PHE  A 207 ( 1.3A)
LEU  A 210 ( 0.5A)
THR  A 211 ( 0.8A)
GLY  A 276 ( 0.0A)
ILE  A 274 ( 0.7A)
ILE  A 262 ( 0.7A)
 0.98A 6ebzA-5hiuA:
undetectable		 6ebzA-5hiuA:
9.50
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.
6EBZ_B_DAHB123_0
(RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE,
BETA SUBUNIT)		 5hiu GTPASE
ACTIVATOR-LIKE
PROTEIN
(Chaetomium
thermophilum) 		6 / 11 PHE A 207
LEU A 210
THR A 211
GLY A 276
ILE A 274
ILE A 262
 PHE  A 207 ( 1.3A)
LEU  A 210 ( 0.5A)
THR  A 211 ( 0.8A)
GLY  A 276 ( 0.0A)
ILE  A 274 ( 0.7A)
ILE  A 262 ( 0.7A)
 1.01A 6ebzB-5hiuA:
undetectable		 6ebzB-5hiuA:
9.50
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.
6EBZ_C_DAHC123_0
(RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE,
BETA SUBUNIT)		 5hiu GTPASE
ACTIVATOR-LIKE
PROTEIN
(Chaetomium
thermophilum) 		6 / 11 PHE A 207
LEU A 210
THR A 211
GLY A 276
ILE A 274
ILE A 262
 PHE  A 207 ( 1.3A)
LEU  A 210 ( 0.5A)
THR  A 211 ( 0.8A)
GLY  A 276 ( 0.0A)
ILE  A 274 ( 0.7A)
ILE  A 262 ( 0.7A)
 1.04A 6ebzC-5hiuA:
undetectable		 6ebzC-5hiuA:
9.50
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.
6EBZ_D_DAHD123_0
(RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE,
BETA SUBUNIT)		 5hiu GTPASE
ACTIVATOR-LIKE
PROTEIN
(Chaetomium
thermophilum) 		6 / 11 PHE A 207
LEU A 210
THR A 211
GLY A 276
ILE A 274
ILE A 262
 PHE  A 207 ( 1.3A)
LEU  A 210 ( 0.5A)
THR  A 211 ( 0.8A)
GLY  A 276 ( 0.0A)
ILE  A 274 ( 0.7A)
ILE  A 262 ( 0.7A)
 0.99A 6ebzD-5hiuA:
undetectable		 6ebzD-5hiuA:
9.50
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.
6EXI_D_ADND502_1
(ADENOSYLHOMOCYSTEINA
SE)		 3qvi HISTO-ASPARTIC
PROTEASE
(Plasmodium
falciparum) 		3 / 3 LEU A 128
ASN A 211
LEU A 184
 LEU  A 128 (-0.6A)
ASN  A 211 ( 0.6A)
LEU  A 184 ( 0.5A)
 0.72A 6exiD-3qviA:
undetectable		 6exiD-3qviA:
10.64
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.
6FBP_B_ADNB404_0
(S-ADENOSYLMETHIONINE
SYNTHASE ISOFORM
TYPE-2)		 1t6p PHENYLALANINE
AMMONIA-LYASE
(Rhodotorula
toruloides) 		5 / 12 ASP A 396
ILE A 171
PRO A 217
SER A 175
ASP A 214
 None
None
None
None
175  A 211 ( 4.2A)
 1.45A 6fbpA-1t6pA:
undetectable
6fbpB-1t6pA:
undetectable		 6fbpA-1t6pA:
8.45
6fbpB-1t6pA:
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.
6FDY_U_DB8U302_1
(-)		 5x2v L-METHIONINE
GAMMA-LYASE
(Pseudomonas
putida) 		5 / 9 LEU A 198
PRO A 192
VAL A 225
SER A 208
LEU A 213
 None
None
None
LLP  A 211 ( 2.7A)
None
 1.40A 6fdyU-5x2vA:
undetectable		 6fdyU-5x2vA:
21.76
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.
6FHW_A_ACRA801_2
(GLUCOAMYLASE P)		 2jcs DEOXYNUCLEOSIDE
KINASE
(Drosophila
melanogaster) 		3 / 3 TRP A  57
GLU A  55
GLU A 104
 None
None
MG  A1211 ( 2.9A)
 0.97A 6fhwA-2jcsA:
undetectable		 6fhwA-2jcsA:
13.76
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.
6GB9_A_ACTA508_0
(MOLYBDOPTERIN
BIOSYNTHESIS PROTEIN
CNX1)		 1rrv GLYCOSYLTRANSFERASE
GTFD
(Amycolatopsis
orientalis) 		3 / 3 VAL A 209
ALA A 211
GLN A 206
 VAL  A 209 ( 0.6A)
ALA  A 211 ( 0.0A)
GLN  A 206 ( 0.6A)
 0.69A 6gb9A-1rrvA:
4.4		 6gb9A-1rrvA:
26.16
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.
6GNG_A_QPSA601_2
(-)		 3ica PHENYLALANYL-TRNA
SYNTHETASE BETA
CHAIN
(Porphyromonas
gingivalis) 		5 / 12 GLU A  68
GLY A  66
TYR A  33
GLU A 203
GLY A 113
 GOL  A 211 (-3.0A)
None
None
None
None
 1.36A 6gngA-3icaA:
undetectable		 6gngA-3icaA:
17.28
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.
6GP2_A_DAHA126_0
(RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE
BETA CHAIN)		 5hiu GTPASE
ACTIVATOR-LIKE
PROTEIN
(Chaetomium
thermophilum) 		6 / 11 PHE A 207
LEU A 210
THR A 211
GLY A 276
ILE A 274
ILE A 262
 PHE  A 207 ( 1.3A)
LEU  A 210 ( 0.5A)
THR  A 211 ( 0.8A)
GLY  A 276 ( 0.0A)
ILE  A 274 ( 0.7A)
ILE  A 262 ( 0.7A)
 0.95A 6gp2A-5hiuA:
undetectable		 6gp2A-5hiuA:
10.80
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.
6GP2_B_DAHB126_0
(RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE
BETA CHAIN)		 5hiu GTPASE
ACTIVATOR-LIKE
PROTEIN
(Chaetomium
thermophilum) 		6 / 11 PHE A 207
LEU A 210
THR A 211
GLY A 276
ILE A 274
ILE A 262
 PHE  A 207 ( 1.3A)
LEU  A 210 ( 0.5A)
THR  A 211 ( 0.8A)
GLY  A 276 ( 0.0A)
ILE  A 274 ( 0.7A)
ILE  A 262 ( 0.7A)
 0.86A 6gp2B-5hiuA:
undetectable		 6gp2B-5hiuA:
10.80
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.
6JMJ_A_ASCA201_0
(PHOSPHOPANTETHEINE
ADENYLYLTRANSFERASE)		 2xcm CYTOSOLIC HEAT SHOCK
PROTEIN 90
(Hordeum
vulgare) 		4 / 5 GLY A 172
THR A 173
SER A  41
SER A  40
 None
ADP  A1211 (-3.4A)
None
ADP  A1211 ( 4.0A)
 1.12A 6jmjA-2xcmA:
undetectable		 6jmjA-2xcmA:
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.
6MN4_A_AM2A301_0
(AMINOGLYCOSIDE
N(3)-ACETYLTRANSFERA
SE, AAC(3)-IVA)		 2xf4 HYDROXYACYLGLUTATHIO
NE HYDROLASE
(Salmonella
enterica) 		4 / 8 ASP A 151
HIS A 168
HIS A  56
ASP A 162
 ZN  A1211 (-2.4A)
None
None
None
 1.06A 6mn4A-2xf4A:
undetectable		 6mn4A-2xf4A:
23.40
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.
6NKN_C_CHDC301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3kky SUPEROXIDE DISMUTASE
[MN]
(Deinococcus
radiodurans) 		4 / 6 HIS A  26
ASP A  12
TYR A   9
HIS A  30
 MN  A 211 (-3.3A)
None
None
None
 1.50A 6nknA-3kkyA:
1.7
6nknC-3kkyA:
undetectable		 6nknA-3kkyA:
17.32
6nknC-3kkyA:
19.32