SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'IPA'


List of Similar Pattern of Amino Acids

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

(Click on the DrReposER ID to view details on interfaces and similar patterns of amino acids)
(Click on the view link on the last column to view superposed patterns of amino acids)
Filter list by:
DrReposER ID / Desc. Hit
PDBID		 Hit
Macromolecule		 Res.
Matches		 Interface HETATM RMSD Dali
Z-score		 Seq.
Identity (%)		 View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1A4L_B_DCFB853_1
(ADENOSINE DEAMINASE)		 5x7l TSRD
(Streptomyces
laurentii) 		5 / 12 HIS A 117
PHE A  13
HIS A  35
ASP A 119
ASP A 105
 IPA  A 202 (-3.5A)
None
None
IPA  A 202 ( 4.8A)
IPA  A 202 (-2.9A)
 1.32A 1a4lB-5x7lA:
undetectable		 1a4lB-5x7lA:
13.78
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.
1A4L_C_DCFC1353_1
(ADENOSINE DEAMINASE)		 5x7l TSRD
(Streptomyces
laurentii) 		5 / 12 HIS A 117
PHE A  13
HIS A  35
ASP A 119
ASP A 105
 IPA  A 202 (-3.5A)
None
None
IPA  A 202 ( 4.8A)
IPA  A 202 (-2.9A)
 1.29A 1a4lC-5x7lA:
undetectable		 1a4lC-5x7lA:
13.78
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.
1A4L_D_DCFD1853_1
(ADENOSINE DEAMINASE)		 5x7l TSRD
(Streptomyces
laurentii) 		5 / 12 HIS A 117
PHE A  13
HIS A  35
ASP A 119
ASP A 105
 IPA  A 202 (-3.5A)
None
None
IPA  A 202 ( 4.8A)
IPA  A 202 (-2.9A)
 1.26A 1a4lD-5x7lA:
undetectable		 1a4lD-5x7lA:
13.78
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.
1A8U_A_BEZA295_0
(CHLOROPEROXIDASE T)		 2wgy CYTOCHROME P450 130
(Mycobacterium
tuberculosis) 		5 / 10 GLY A 253
SER A 255
MET A 256
LEU A 259
LEU A 283
 None
IPA  A1408 (-4.2A)
IPA  A1408 (-3.1A)
None
None
 1.15A 1a8uA-2wgyA:
undetectable		 1a8uA-2wgyA:
22.06
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.
1A8U_A_BEZA295_0
(CHLOROPEROXIDASE T)		 5vol PUTATIVE ESTERASE
(Bacteroides
intestinalis) 		6 / 10 GLY A  65
SER A 152
MET A 153
LEU A 178
LEU A 238
HIS A 265
 None
None
None
IPA  A 303 ( 4.5A)
None
None
 1.02A 1a8uA-5volA:
15.0		 1a8uA-5volA:
21.86
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.
1A8U_B_BEZB294_0
(CHLOROPEROXIDASE T)		 2wgy CYTOCHROME P450 130
(Mycobacterium
tuberculosis) 		5 / 10 GLY A 253
SER A 255
MET A 256
LEU A 259
LEU A 283
 None
IPA  A1408 (-4.2A)
IPA  A1408 (-3.1A)
None
None
 1.17A 1a8uB-2wgyA:
undetectable		 1a8uB-2wgyA:
22.06
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.
1A8U_B_BEZB294_0
(CHLOROPEROXIDASE T)		 5vol PUTATIVE ESTERASE
(Bacteroides
intestinalis) 		6 / 10 GLY A  65
SER A 152
MET A 153
LEU A 178
LEU A 238
HIS A 265
 None
None
None
IPA  A 303 ( 4.5A)
None
None
 1.00A 1a8uB-5volA:
14.7		 1a8uB-5volA:
21.86
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.
1D4F_C_ADNC603_1
(S-ADENOSYLHOMOCYSTEI
NE HYDROLASE)		 6d34 TERC
(Streptomyces) 		5 / 12 LEU A 120
ASP A 173
GLY A 100
HIS A  90
PHE A 180
 None
IPA  A 202 ( 3.6A)
None
IPA  A 201 (-3.5A)
IPA  A 201 ( 3.5A)
 1.48A 1d4fC-6d34A:
undetectable		 1d4fC-6d34A:
11.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1D4F_C_ADNC603_1
(S-ADENOSYLHOMOCYSTEI
NE HYDROLASE)		 6d34 TERC
(Streptomyces) 		5 / 12 LEU A 120
ASP A 173
LEU A 113
HIS A  90
PHE A 180
 None
IPA  A 202 ( 3.6A)
None
IPA  A 201 (-3.5A)
IPA  A 201 ( 3.5A)
 1.31A 1d4fC-6d34A:
undetectable		 1d4fC-6d34A:
11.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DTL_A_BEPA205_1
(CARDIAC TROPONIN C)		 3ni8 PFC0360W PROTEIN
(Plasmodium
falciparum) 		5 / 12 ILE A  83
PHE A  74
LEU A  65
PHE A 144
LEU A 116
 None
None
None
IPA  A 159 ( 4.8A)
None
 1.05A 1dtlA-3ni8A:
undetectable		 1dtlA-3ni8A:
19.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DTL_A_BEPA205_1
(CARDIAC TROPONIN C)		 5x7l TSRD
(Streptomyces
laurentii) 		5 / 12 ALA A  50
LEU A  61
PHE A  81
LEU A 103
PHE A  13
 None
None
IPA  A 201 ( 3.6A)
IPA  A 201 ( 4.8A)
None
 1.14A 1dtlA-5x7lA:
undetectable		 1dtlA-5x7lA:
18.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1FDS_A_ESTA350_1
(17-BETA-HYDROXYSTERO
ID-DEHYDROGENASE)		 1cyd CARBONYL REDUCTASE
(Mus
musculus) 		5 / 12 VAL A 138
TYR A 241
PRO A 144
SER A 191
PHE A 196
 IPA  A 246 ( 4.8A)
None
None
None
None
 1.44A 1fdsA-1cydA:
27.4		 1fdsA-1cydA:
25.16
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.
1GTF_T_TRPT81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN
(TRAP))		 4mla CYTOKININ OXIDASE 2
(Zea
mays) 		5 / 10 GLY A 136
ALA A  95
HIS A  98
THR A 163
SER A 106
 None
FAD  A 601 (-3.7A)
IPA  A 604 ( 4.1A)
FAD  A 601 (-2.9A)
FAD  A 601 (-3.7A)
 1.41A 1gtfT-4mlaA:
undetectable
1gtfU-4mlaA:
0.5		 1gtfT-4mlaA:
9.98
1gtfU-4mlaA:
9.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1GTN_O_TRPO81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN)		 4mla CYTOKININ OXIDASE 2
(Zea
mays) 		5 / 10 GLY A 136
ALA A  95
HIS A  98
THR A 163
SER A 106
 None
FAD  A 601 (-3.7A)
IPA  A 604 ( 4.1A)
FAD  A 601 (-2.9A)
FAD  A 601 (-3.7A)
 1.40A 1gtnO-4mlaA:
undetectable
1gtnP-4mlaA:
undetectable		 1gtnO-4mlaA:
9.98
1gtnP-4mlaA:
9.98
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1H60_A_STRA500_1
(PENTAERYTHRITOL
TETRANITRATE
REDUCTASE)		 5lgx PENTAERYTHRITOL
TETRANITRATE
REDUCTASE
(Enterobacter
cloacae) 		7 / 9 THR A  26
TYR A  68
HIS A 181
HIS A 184
TYR A 186
LEU A 275
TYR A 351
 IPA  A 405 ( 3.4A)
IPA  A 405 (-4.5A)
FMN  A 401 (-3.8A)
IPA  A 402 ( 3.5A)
None
IPA  A 402 ( 4.1A)
FMN  A 401 ( 4.0A)
 0.25A 1h60A-5lgxA:
68.1		 1h60A-5lgxA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1H9Z_A_RWFA3001_1
(SERUM ALBUMIN)		 1rw1 CONSERVED
HYPOTHETICAL PROTEIN
YFFB
(Pseudomonas
aeruginosa) 		5 / 11 ALA A  17
LEU A  21
LEU A  95
ARG A 100
ALA A 113
 None
None
None
IPA  A 300 (-3.4A)
None
 1.15A 1h9zA-1rw1A:
undetectable		 1h9zA-1rw1A:
12.01
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.
1HRK_B_CHDB2503_0
(FERROCHELATASE)		 1i9s MRNA CAPPING ENZYME
(Mus
musculus) 		4 / 4 LEU A  25
PRO A  26
LEU A  27
ARG A  15
 None
None
None
IPA  A 600 (-4.1A)
 1.42A 1hrkB-1i9sA:
2.2		 1hrkB-1i9sA:
16.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1IBG_H_OBNH1_1
(IGG2B-KAPPA 40-50
FAB (HEAVY CHAIN))		 1wb0 CHITOTRIOSIDASE 1
(Homo
sapiens) 		4 / 6 LEU A 383
PHE A 342
TYR A 267
VAL A 339
 None
None
None
IPA  A1393 (-3.6A)
 1.08A 1ibgH-1wb0A:
undetectable		 1ibgH-1wb0A:
17.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1JHQ_A_NIOA991_1
(NICOTINATE
MONONUCLEOTIDE:5,6-D
IMETHYLBENZIMIDAZOLE
PHOSPHORIBOSYLTRANSF
ERASE)		 1mc2 ACUTOHAEMONLYSIN
(Deinagkistrodon
acutus) 		4 / 8 GLY A1035
GLY A1030
ARG A1034
GLY A1032
 None
IPA  A1135 ( 4.4A)
None
None
 0.72A 1jhqA-1mc2A:
undetectable		 1jhqA-1mc2A:
15.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1K4T_D_TTCD990_1
(DNA TOPOISOMERASE I)		 1j0a 1-AMINOCYCLOPROPANE-
1-CARBOXYLATE
DEAMINASE
(Pyrococcus
horikoshii) 		4 / 5 GLU A  16
ARG A  56
LYS A  41
ASP A  43
 IPA  A1747 ( 4.1A)
None
None
None
 1.48A 1k4tA-1j0aA:
0.0		 1k4tA-1j0aA:
17.59
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.
1K5Q_B_PACB559_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		 5h3b UNCHARACTERIZED
PROTEIN HI_1552
(Haemophilus
influenzae) 		4 / 7 ALA A  26
TYR A 133
SER A  65
ALA A  18
 None
None
IPA  A 302 (-2.6A)
None
 0.97A 1k5qA-5h3bA:
undetectable
1k5qB-5h3bA:
undetectable		 1k5qA-5h3bA:
23.39
1k5qB-5h3bA:
16.49
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.
1TD7_A_NFLA2001_1
(PHOSPHOLIPASE A2
ISOFORM 3)		 5h3b UNCHARACTERIZED
PROTEIN HI_1552
(Haemophilus
influenzae) 		5 / 9 LEU A 151
ILE A  99
GLY A  19
TYR A  44
PHE A 178
 None
None
IPA  A 302 (-3.6A)
None
None
 1.19A 1td7A-5h3bA:
undetectable		 1td7A-5h3bA:
16.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1TW4_A_CHDA130_0
(FATTY ACID-BINDING
PROTEIN)		 2qo4 LIVER-BASIC FATTY
ACID BINDING PROTEIN
(Danio
rerio) 		5 / 12 LEU A  18
ALA A  31
ASP A  74
HIS A  98
ARG A 120
 CHD  A 130 ( 4.7A)
CHD  A 130 ( 3.8A)
GOL  A 145 ( 2.8A)
IPA  A 140 (-3.7A)
CHD  A 130 (-3.4A)
 0.69A 1tw4A-2qo4A:
21.6		 1tw4A-2qo4A:
69.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1TW4_A_CHDA131_0
(FATTY ACID-BINDING
PROTEIN)		 2qo4 LIVER-BASIC FATTY
ACID BINDING PROTEIN
(Danio
rerio) 		5 / 11 ASN A  60
THR A  72
VAL A  82
HIS A  98
GLN A 100
 IPA  A 141 ( 4.7A)
GOL  A 145 (-3.2A)
None
IPA  A 140 (-3.7A)
IPA  A 142 (-3.5A)
 0.78A 1tw4A-2qo4A:
21.6		 1tw4A-2qo4A:
69.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1TW4_B_CHDB1130_0
(FATTY ACID-BINDING
PROTEIN)		 2qo4 LIVER-BASIC FATTY
ACID BINDING PROTEIN
(Danio
rerio) 		5 / 12 TYR A  14
LEU A  18
MET A  73
HIS A  98
ARG A 120
 None
CHD  A 130 ( 4.7A)
None
IPA  A 140 (-3.7A)
CHD  A 130 (-3.4A)
 0.98A 1tw4B-2qo4A:
21.5		 1tw4B-2qo4A:
69.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1TW4_B_CHDB1131_0
(FATTY ACID-BINDING
PROTEIN)		 2qo4 LIVER-BASIC FATTY
ACID BINDING PROTEIN
(Danio
rerio) 		5 / 10 ASN A  60
THR A  72
VAL A  82
HIS A  98
GLN A 100
 IPA  A 141 ( 4.7A)
GOL  A 145 (-3.2A)
None
IPA  A 140 (-3.7A)
IPA  A 142 (-3.5A)
 0.83A 1tw4B-2qo4A:
21.5		 1tw4B-2qo4A:
69.60
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.
1WSV_A_THHA3001_1
(AMINOMETHYLTRANSFERA
SE)		 2y6p 3-DEOXY-MANNO-OCTULO
SONATE
CYTIDYLYLTRANSFERASE
(Aquifex
aeolicus) 		3 / 3 ASP A 133
GLU A  96
TYR A 170
 None
None
IPA  A1236 ( 4.0A)
 0.81A 1wsvA-2y6pA:
undetectable		 1wsvA-2y6pA:
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.
1XL6_B_SPMB3001_1
(INWARD RECTIFIER
POTASSIUM CHANNEL)		 3s6w TUDOR
DOMAIN-CONTAINING
PROTEIN 3
(Homo
sapiens) 		4 / 5 ALA A 564
TYR A 566
ALA A 575
TYR A 573
 None
IPA  A 609 (-3.9A)
None
IPA  A 609 (-4.0A)
 1.07A 1xl6A-3s6wA:
undetectable
1xl6B-3s6wA:
undetectable		 1xl6A-3s6wA:
11.53
1xl6B-3s6wA:
11.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1Y4L_B_SVRB301_1
(PHOSPHOLIPASE A2
HOMOLOG 2)		 1mc2 ACUTOHAEMONLYSIN
(Deinagkistrodon
acutus) 		5 / 12 LEU A1002
GLY A1023
ARG A1034
TYR A1052
LYS A1069
 IPA  A1136 ( 4.7A)
IPA  A1135 ( 4.1A)
None
None
None
 0.83A 1y4lA-1mc2A:
23.8		 1y4lA-1mc2A:
75.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1Y4L_B_SVRB301_1
(PHOSPHOLIPASE A2
HOMOLOG 2)		 1mc2 ACUTOHAEMONLYSIN
(Deinagkistrodon
acutus) 		8 / 12 LEU A1002
GLY A1023
GLY A1030
GLY A1033
ARG A1034
LYS A1049
TYR A1052
LYS A1070
 IPA  A1136 ( 4.7A)
IPA  A1135 ( 4.1A)
IPA  A1135 ( 4.4A)
None
None
None
None
None
 0.62A 1y4lA-1mc2A:
23.8		 1y4lA-1mc2A:
75.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1Y4L_B_SVRB301_2
(PHOSPHOLIPASE A2
HOMOLOG 2)		 1mc2 ACUTOHAEMONLYSIN
(Deinagkistrodon
acutus) 		6 / 11 LEU A1002
LEU A1005
GLY A1032
HIS A1048
TYR A1052
LYS A1070
 IPA  A1136 ( 4.7A)
IPA  A1135 ( 4.2A)
None
None
None
None
 0.82A 1y4lB-1mc2A:
23.1		 1y4lB-1mc2A:
75.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1Y4L_B_SVRB301_2
(PHOSPHOLIPASE A2
HOMOLOG 2)		 1mc2 ACUTOHAEMONLYSIN
(Deinagkistrodon
acutus) 		9 / 11 LEU A1002
LEU A1005
VAL A1031
GLY A1033
ARG A1034
HIS A1048
LYS A1049
TYR A1052
LYS A1070
 IPA  A1136 ( 4.7A)
IPA  A1135 ( 4.2A)
None
None
None
None
None
None
None
 0.57A 1y4lB-1mc2A:
23.1		 1y4lB-1mc2A:
75.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1Y4L_B_SVRB301_2
(PHOSPHOLIPASE A2
HOMOLOG 2)		 1mc2 ACUTOHAEMONLYSIN
(Deinagkistrodon
acutus) 		5 / 11 LEU A1005
ARG A1034
HIS A1048
TYR A1052
LYS A1053
 IPA  A1135 ( 4.2A)
None
None
None
None
 1.29A 1y4lB-1mc2A:
23.1		 1y4lB-1mc2A:
75.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1YAJ_J_BEZJ5041_0
(CES1 PROTEIN)		 3q88 GLUCOSE-6-PHOSPHATE
ISOMERASE
(Francisella
tularensis) 		4 / 4 GLY A 287
SER A 290
ILE A  39
HIS A  36
 None
IPA  A 605 ( 4.1A)
IPA  A 605 ( 4.6A)
IPA  A 605 (-4.3A)
 1.06A 1yajJ-3q88A:
undetectable		 1yajJ-3q88A:
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.
1YAJ_J_BEZJ5041_0
(CES1 PROTEIN)		 5h3b UNCHARACTERIZED
PROTEIN HI_1552
(Haemophilus
influenzae) 		4 / 4 GLY A  19
SER A  65
ILE A 123
HIS A 200
 IPA  A 302 (-3.6A)
IPA  A 302 (-2.6A)
IPA  A 302 ( 4.8A)
IPA  A 302 ( 4.6A)
 0.97A 1yajJ-5h3bA:
4.6		 1yajJ-5h3bA:
17.01
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.
1YAJ_J_BEZJ5041_0
(CES1 PROTEIN)		 5h3b UNCHARACTERIZED
PROTEIN HI_1552
(Haemophilus
influenzae) 		4 / 4 GLY A  19
SER A  65
ILE A 177
HIS A 200
 IPA  A 302 (-3.6A)
IPA  A 302 (-2.6A)
IPA  A 302 ( 4.7A)
IPA  A 302 ( 4.6A)
 1.26A 1yajJ-5h3bA:
4.6		 1yajJ-5h3bA:
17.01
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.
1YAJ_K_BEZK4387_0
(CES1 PROTEIN)		 2r4i UNCHARACTERIZED
PROTEIN
(Cytophaga
hutchinsonii) 		3 / 3 TRP A 111
LEU A  29
LYS A  13
 IPA  A 125 (-3.5A)
None
None
 1.39A 1yajK-2r4iA:
undetectable		 1yajK-2r4iA:
14.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ABA_A_STRA1500_1
(PENTAERYTHRITOL
TETRANITRATE
REDUCTASE)		 5lgx PENTAERYTHRITOL
TETRANITRATE
REDUCTASE
(Enterobacter
cloacae) 		7 / 9 THR A  26
TYR A  68
SER A 132
HIS A 181
HIS A 184
TYR A 186
TYR A 351
 IPA  A 405 ( 3.4A)
IPA  A 405 (-4.5A)
None
FMN  A 401 (-3.8A)
IPA  A 402 ( 3.5A)
None
FMN  A 401 ( 4.0A)
 0.59A 2abaA-5lgxA:
67.8		 2abaA-5lgxA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ABA_A_STRA1500_1
(PENTAERYTHRITOL
TETRANITRATE
REDUCTASE)		 5lgx PENTAERYTHRITOL
TETRANITRATE
REDUCTASE
(Enterobacter
cloacae) 		5 / 9 TYR A  68
ARG A 130
HIS A 181
HIS A 184
TYR A 186
 IPA  A 405 (-4.5A)
None
FMN  A 401 (-3.8A)
IPA  A 402 ( 3.5A)
None
 1.34A 2abaA-5lgxA:
67.8		 2abaA-5lgxA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2BDM_A_TMIA502_1
(CYTOCHROME P450 2B4)		 3ni8 PFC0360W PROTEIN
(Plasmodium
falciparum) 		5 / 12 ILE A  70
LEU A  44
THR A  45
LEU A  47
SER A  48
 None
IPA  A 159 ( 4.7A)
None
None
None
 0.98A 2bdmA-3ni8A:
undetectable		 2bdmA-3ni8A:
16.46
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.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		 4wql 2''-AMINOGLYCOSIDE
NUCLEOTIDYLTRANSFERA
SE
(Klebsiella
pneumoniae) 		4 / 8 GLY A  28
ALA A  30
THR A  48
ILE A 128
 IPA  A 204 (-3.3A)
None
None
GOL  A 213 (-4.0A)
 0.68A 2dtjA-4wqlA:
undetectable
2dtjB-4wqlA:
undetectable		 2dtjA-4wqlA:
21.43
2dtjB-4wqlA:
21.43
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.
2DU8_G_BEZG2352_0
(D-AMINO-ACID OXIDASE)		 4nfu SENESCENCE-ASSOCIATE
D CARBOXYLESTERASE
101
(Arabidopsis
thaliana) 		4 / 5 TYR B 393
TYR B 394
ILE B 453
GLY B 405
 None
None
None
IPA  B 602 (-4.0A)
 1.33A 2du8G-4nfuB:
undetectable		 2du8G-4nfuB:
20.60
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.
2EJT_A_SAMA501_1
(N(2),N(2)-DIMETHYLGU
ANOSINE TRNA
METHYLTRANSFERASE)		 2wsj P-COUMARIC ACID
DECARBOXYLASE
(Lactobacillus
plantarum) 		3 / 3 ARG A  48
ASP A  37
ASP A 149
 IPA  A1180 ( 3.8A)
NA  A1181 ( 3.7A)
None
 0.80A 2ejtA-2wsjA:
undetectable		 2ejtA-2wsjA:
16.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2FT9_A_CHDA130_0
(FATTY ACID-BINDING
PROTEIN 2, LIVER)		 2qo4 LIVER-BASIC FATTY
ACID BINDING PROTEIN
(Danio
rerio) 		7 / 12 PHE A  17
ASN A  60
PHE A  62
ILE A  70
VAL A  82
HIS A  98
LEU A 111
 None
IPA  A 141 ( 4.7A)
IPA  A 142 ( 4.4A)
IPA  A 141 ( 4.5A)
None
IPA  A 140 (-3.7A)
CHD  A 130 ( 4.9A)
 1.05A 2ft9A-2qo4A:
20.7		 2ft9A-2qo4A:
69.05
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.
2HRC_A_CHDA703_0
(FERROCHELATASE)		 1i9s MRNA CAPPING ENZYME
(Mus
musculus) 		4 / 4 LEU A  25
PRO A  26
LEU A  27
ARG A  15
 None
None
None
IPA  A 600 (-4.1A)
 1.31A 2hrcA-1i9sA:
undetectable		 2hrcA-1i9sA:
16.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2HRC_B_CHDB1604_0
(FERROCHELATASE)		 1i9s MRNA CAPPING ENZYME
(Mus
musculus) 		4 / 4 LEU A  25
PRO A  26
LEU A  27
ARG A  15
 None
None
None
IPA  A 600 (-4.1A)
 1.44A 2hrcB-1i9sA:
2.2		 2hrcB-1i9sA:
16.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2JN3_A_JN3A130_1
(FATTY ACID-BINDING
PROTEIN, LIVER)		 2qo4 LIVER-BASIC FATTY
ACID BINDING PROTEIN
(Danio
rerio) 		6 / 12 TYR A  14
LEU A  18
ALA A  31
THR A  53
ASP A  74
HIS A  98
 None
CHD  A 130 ( 4.7A)
CHD  A 130 ( 3.8A)
CHD  A 130 ( 4.1A)
GOL  A 145 ( 2.8A)
IPA  A 140 (-3.7A)
 0.87A 2jn3A-2qo4A:
21.0		 2jn3A-2qo4A:
69.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2JN3_A_JN3A131_1
(FATTY ACID-BINDING
PROTEIN, LIVER)		 2qo4 LIVER-BASIC FATTY
ACID BINDING PROTEIN
(Danio
rerio) 		5 / 12 PHE A  62
ILE A  70
THR A  72
VAL A  82
HIS A  98
 IPA  A 142 ( 4.4A)
IPA  A 141 ( 4.5A)
GOL  A 145 (-3.2A)
None
IPA  A 140 (-3.7A)
 0.67A 2jn3A-2qo4A:
21.0		 2jn3A-2qo4A:
69.60
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.
2OAX_F_SNLF6001_2
(MINERALOCORTICOID
RECEPTOR)		 5x7l TSRD
(Streptomyces
laurentii) 		4 / 5 LEU A  63
LEU A  14
LEU A   9
MET A  79
 IPA  A 201 ( 4.5A)
None
None
None
 1.05A 2oaxF-5x7lA:
undetectable		 2oaxF-5x7lA:
14.40
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.
2OBV_A_SAMA501_0
(S-ADENOSYLMETHIONINE
SYNTHETASE ISOFORM
TYPE-1)		 1wb0 CHITOTRIOSIDASE 1
(Homo
sapiens) 		4 / 8 PRO A 325
SER A 308
SER A 371
ASP A 338
 None
None
None
IPA  A1393 (-3.5A)
 1.10A 2obvA-1wb0A:
undetectable		 2obvA-1wb0A:
23.24
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.
2PNJ_B_CHDB503_0
(FERROCHELATASE,
MITOCHONDRIAL)		 1i9s MRNA CAPPING ENZYME
(Mus
musculus) 		4 / 4 LEU A  25
PRO A  26
LEU A  27
ARG A  15
 None
None
None
IPA  A 600 (-4.1A)
 1.41A 2pnjB-1i9sA:
2.1		 2pnjB-1i9sA:
16.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QD4_A_CHDA801_0
(FERROCHELATASE)		 3waf IRON ABC
TRANSPORTER,
PERIPLASMIC
IRON-BINDING PROTEIN
(Thermus
thermophilus) 		5 / 12 LEU A 143
PHE A 146
LEU A 124
LEU A 203
VAL A 221
 IPA  A 401 (-4.8A)
None
None
None
None
 1.39A 2qd4A-3wafA:
undetectable		 2qd4A-3wafA:
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.
2QD4_B_CHDB928_0
(FERROCHELATASE)		 3waf IRON ABC
TRANSPORTER,
PERIPLASMIC
IRON-BINDING PROTEIN
(Thermus
thermophilus) 		5 / 12 LEU A 143
PHE A 146
LEU A 124
LEU A 203
VAL A 221
 IPA  A 401 (-4.8A)
None
None
None
None
 1.34A 2qd4B-3wafA:
undetectable		 2qd4B-3wafA:
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.
2QD4_B_CHDB928_0
(FERROCHELATASE)		 4mla CYTOKININ OXIDASE 2
(Zea
mays) 		5 / 12 LEU A 404
PHE A 271
LEU A 433
ARG A 353
GLN A 176
 IPA  A 610 (-4.8A)
None
None
None
None
 1.35A 2qd4B-4mlaA:
undetectable		 2qd4B-4mlaA:
21.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2QO4_A_CHDA130_0
(LIVER-BASIC FATTY
ACID BINDING PROTEIN)		 2qo4 LIVER-BASIC FATTY
ACID BINDING PROTEIN
(Danio
rerio) 		12 / 12 TYR A  14
LEU A  18
ILE A  21
ALA A  31
VAL A  34
THR A  72
MET A  73
ASP A  74
PHE A  96
HIS A  98
MET A 118
ARG A 120
 None
CHD  A 130 ( 4.7A)
GOL  A 145 ( 4.8A)
CHD  A 130 ( 3.8A)
CHD  A 130 ( 4.8A)
GOL  A 145 (-3.2A)
None
GOL  A 145 ( 2.8A)
CHD  A 130 ( 4.6A)
IPA  A 140 (-3.7A)
CHD  A 130 ( 3.8A)
CHD  A 130 (-3.4A)
 0.00A 2qo4A-2qo4A:
27.7		 2qo4A-2qo4A:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QO4_A_CHDA130_0
(LIVER-BASIC FATTY
ACID BINDING PROTEIN)		 5vol PUTATIVE ESTERASE
(Bacteroides
intestinalis) 		5 / 12 TYR A 113
LEU A  63
ALA A 102
PHE A 169
HIS A 165
 None
None
None
None
IPA  A 304 (-3.7A)
 1.33A 2qo4A-5volA:
undetectable		 2qo4A-5volA:
15.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2QO5_A_CHDA131_0
(LIVER-BASIC FATTY
ACID BINDING PROTEIN)		 2qo4 LIVER-BASIC FATTY
ACID BINDING PROTEIN
(Danio
rerio) 		6 / 12 ILE A  21
ILE A  49
ILE A  70
THR A  72
VAL A  82
LEU A 111
 GOL  A 145 ( 4.8A)
IPA  A 141 (-3.9A)
IPA  A 141 ( 4.5A)
GOL  A 145 (-3.2A)
None
CHD  A 130 ( 4.9A)
 0.81A 2qo5A-2qo4A:
22.3		 2qo5A-2qo4A:
98.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2QO5_A_CHDA131_0
(LIVER-BASIC FATTY
ACID BINDING PROTEIN)		 2qo4 LIVER-BASIC FATTY
ACID BINDING PROTEIN
(Danio
rerio) 		6 / 12 ILE A  21
ILE A  49
THR A  72
VAL A  82
HIS A  98
LEU A 111
 GOL  A 145 ( 4.8A)
IPA  A 141 (-3.9A)
GOL  A 145 (-3.2A)
None
IPA  A 140 (-3.7A)
CHD  A 130 ( 4.9A)
 0.97A 2qo5A-2qo4A:
22.3		 2qo5A-2qo4A:
98.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2QO6_A_CHDA130_0
(LIVER-BASIC FATTY
ACID BINDING PROTEIN)		 2qo4 LIVER-BASIC FATTY
ACID BINDING PROTEIN
(Danio
rerio) 		12 / 12 TYR A  14
LEU A  18
ILE A  21
LEU A  23
ALA A  31
VAL A  34
THR A  72
ASP A  74
PHE A  96
HIS A  98
MET A 118
ARG A 120
 None
CHD  A 130 ( 4.7A)
GOL  A 145 ( 4.8A)
CHD  A 130 ( 4.6A)
CHD  A 130 ( 3.8A)
CHD  A 130 ( 4.8A)
GOL  A 145 (-3.2A)
GOL  A 145 ( 2.8A)
CHD  A 130 ( 4.6A)
IPA  A 140 (-3.7A)
CHD  A 130 ( 3.8A)
CHD  A 130 (-3.4A)
 0.08A 2qo6A-2qo4A:
27.1		 2qo6A-2qo4A:
99.21
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.
2QO6_A_CHDA130_0
(LIVER-BASIC FATTY
ACID BINDING PROTEIN)		 5vol PUTATIVE ESTERASE
(Bacteroides
intestinalis) 		5 / 12 TYR A 113
LEU A  63
ALA A 102
PHE A 169
HIS A 165
 None
None
None
None
IPA  A 304 (-3.7A)
 1.33A 2qo6A-5volA:
undetectable		 2qo6A-5volA:
15.52
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.
2V3D_A_NBVA1503_1
(GLUCOSYLCERAMIDASE)		 5fip GH5 CELLULASE
(unidentified) 		5 / 12 ASN A 191
GLU A 192
HIS A 259
GLU A 294
TRP A 328
 None
None
None
None
IPA  A1394 (-4.3A)
 0.57A 2v3dA-5fipA:
16.3		 2v3dA-5fipA:
21.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2VDB_A_NPSA1591_1
(SERUM ALBUMIN)		 5hyo PEDV 3CLPRO
(Porcine
epidemic
diarrhea
virus) 		4 / 8 ILE A  37
LEU A 161
TYR A 102
GLY A 178
 None
None
IPA  A 405 (-4.6A)
None
 0.98A 2vdbA-5hyoA:
undetectable		 2vdbA-5hyoA:
18.43
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.
2VN1_A_FK5A501_1
(70 KDA
PEPTIDYLPROLYL
ISOMERASE)		 2r4i UNCHARACTERIZED
PROTEIN
(Cytophaga
hutchinsonii) 		5 / 11 TYR A  53
PHE A  36
VAL A  63
TYR A 100
CYH A 118
 IPA  A 127 (-4.6A)
IPA  A 127 ( 4.1A)
None
None
IPA  A 126 ( 3.7A)
 1.34A 2vn1A-2r4iA:
undetectable		 2vn1A-2r4iA:
21.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2WLK_B_SPMB1302_1
(ATP-SENSITIVE INWARD
RECTIFIER POTASSIUM
CHANNEL 10)		 3s6w TUDOR
DOMAIN-CONTAINING
PROTEIN 3
(Homo
sapiens) 		4 / 4 ALA A 564
TYR A 566
ALA A 575
TYR A 573
 None
IPA  A 609 (-3.9A)
None
IPA  A 609 (-4.0A)
 1.10A 2wlkA-3s6wA:
undetectable
2wlkB-3s6wA:
undetectable		 2wlkA-3s6wA:
11.53
2wlkB-3s6wA:
11.53
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.
2X2I_D_QPSD1060_1
(ALPHA-1,4-GLUCAN
LYASE ISOZYME 1)		 2dwr OUTER CAPSID PROTEIN
(Rotavirus
A) 		5 / 10 VAL A 130
PHE A 128
SER A 125
VAL A  91
GLY A  90
 None
None
None
None
IPA  A5000 (-4.0A)
 1.39A 2x2iD-2dwrA:
0.0		 2x2iD-2dwrA:
10.40
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.
2X7H_B_PFNB1374_1
(ZINC-BINDING ALCOHOL
DEHYDROGENASE
DOMAIN-CONTAINING
PROTEIN 2)		 5x7l TSRD
(Streptomyces
laurentii) 		4 / 4 TYR A  33
LEU A 113
LEU A  29
HIS A 117
 None
None
None
IPA  A 202 (-3.5A)
 1.48A 2x7hB-5x7lA:
undetectable		 2x7hB-5x7lA:
12.46
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.
2XFF_A_QPSA600_1
(BETA-AMYLASE)		 5wqs BETA-AMYLASE
(Ipomoea
batatas) 		11 / 12 ALA A 185
GLU A 187
ARG A 189
TYR A 193
TRP A 199
PHE A 201
SER A 299
GLY A 300
HIS A 302
THR A 344
MET A 348
 None
None
None
None
None
IPA  A 501 ( 4.4A)
None
None
IPA  A 501 (-4.5A)
None
IPA  A 501 ( 4.4A)
 0.73A 2xffA-5wqsA:
61.0		 2xffA-5wqsA:
11.81
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.
2XKK_E_MFXE1100_1
(TOPOISOMERASE IV
DNA)		 1gyc LACCASE 2
(Trametes
versicolor) 		3 / 3 ARG A 121
GLU A 460
SER A 202
 None
IPA  A1514 (-4.6A)
None
 0.76A 2xkkA-1gycA:
undetectable
2xkkC-1gycA:
undetectable		 2xkkA-1gycA:
22.93
2xkkC-1gycA:
22.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3BJW_A_SVRA508_2
(PHOSPHOLIPASE A2)		 1mc2 ACUTOHAEMONLYSIN
(Deinagkistrodon
acutus) 		5 / 9 GLY A1006
LYS A1007
PRO A1017
LYS A1069
ARG A1072
 IPA  A1136 (-3.6A)
None
IPA  A1136 (-4.4A)
None
None
 1.29A 3bjwG-1mc2A:
20.0		 3bjwG-1mc2A:
56.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3BJW_C_SVRC505_1
(PHOSPHOLIPASE A2)		 1mc2 ACUTOHAEMONLYSIN
(Deinagkistrodon
acutus) 		5 / 10 GLU A1004
GLY A1006
PRO A1017
LYS A1069
ARG A1072
 None
IPA  A1136 (-3.6A)
IPA  A1136 (-4.4A)
None
None
 1.15A 3bjwD-1mc2A:
19.9		 3bjwD-1mc2A:
56.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3BJW_G_SVRG506_1
(PHOSPHOLIPASE A2)		 1mc2 ACUTOHAEMONLYSIN
(Deinagkistrodon
acutus) 		4 / 8 GLY A1006
LYS A1007
PRO A1017
ARG A1072
 IPA  A1136 (-3.6A)
None
IPA  A1136 (-4.4A)
None
 0.96A 3bjwA-1mc2A:
20.1		 3bjwA-1mc2A:
56.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3BPX_A_SALA257_1
(TRANSCRIPTIONAL
REGULATOR)		 4fio METHENYLTETRAHYDROME
THANOPTERIN
CYCLOHYDROLASE
(Methanobrevibact
er
ruminantium) 		4 / 8 SER A 317
ALA A 224
ILE A 182
THR A 173
 None
None
IPA  A 402 (-4.6A)
None
 0.90A 3bpxA-4fioA:
undetectable
3bpxB-4fioA:
undetectable		 3bpxA-4fioA:
17.80
3bpxB-4fioA:
17.80
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.
3BWC_B_SAMB501_1
(SPERMIDINE SYNTHASE)		 1wb0 CHITOTRIOSIDASE 1
(Homo
sapiens) 		4 / 5 GLN A 374
ASP A 365
ASP A 337
THR A 382
 IPA  A1393 (-3.4A)
None
None
None
 1.21A 3bwcB-1wb0A:
0.3		 3bwcB-1wb0A:
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.
3CFL_A_5CHA693_1
(LACTOTRANSFERRIN)		 4mla CYTOKININ OXIDASE 2
(Zea
mays) 		4 / 4 THR A 417
VAL A 187
GLY A 172
THR A 157
 IPA  A 602 (-4.6A)
None
FAD  A 601 (-3.4A)
FAD  A 601 (-4.2A)
 1.05A 3cflA-4mlaA:
undetectable		 3cflA-4mlaA:
21.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3E7G_D_H4BD3902_1
(NITRIC OXIDE
SYNTHASE, INDUCIBLE)		 6d34 TERC
(Streptomyces) 		4 / 8 TRP A 161
MET A 171
ARG A 143
ILE A 174
 None
IPA  A 202 ( 4.1A)
IPA  A 201 (-2.8A)
None
 1.45A 3e7gC-6d34A:
undetectable
3e7gD-6d34A:
undetectable		 3e7gC-6d34A:
10.86
3e7gD-6d34A:
10.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ELZ_A_CHDA150_0
(ILEAL BILE
ACID-BINDING PROTEIN)		 2qo4 LIVER-BASIC FATTY
ACID BINDING PROTEIN
(Danio
rerio) 		5 / 12 ASN A  60
PHE A  62
THR A  72
VAL A  82
LEU A  89
 IPA  A 141 ( 4.7A)
IPA  A 142 ( 4.4A)
GOL  A 145 (-3.2A)
None
IPA  A 142 ( 4.7A)
 0.73A 3elzA-2qo4A:
20.3		 3elzA-2qo4A:
45.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3EM0_B_CHDB150_0
(ILEAL BILE
ACID-BINDING PROTEIN)		 2qo4 LIVER-BASIC FATTY
ACID BINDING PROTEIN
(Danio
rerio) 		6 / 12 PHE A  17
ILE A  21
ASN A  60
THR A  72
VAL A  82
LEU A  89
 None
GOL  A 145 ( 4.8A)
IPA  A 141 ( 4.7A)
GOL  A 145 (-3.2A)
None
IPA  A 142 ( 4.7A)
 0.99A 3em0B-2qo4A:
20.2		 3em0B-2qo4A:
45.99
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.
3GWX_B_EPAB3_1
(PROTEIN (PEROXISOME
PROLIFERATOR
ACTIVATED RECEPTOR
(PPAR-DELTA)))		 3x0f CD81 ANTIGEN
(Mus
musculus) 		5 / 12 THR A 167
THR A 168
HIS A 151
LEU A 131
TYR A 127
 IPA  A 303 ( 4.1A)
None
None
IPA  A 303 ( 3.7A)
None
 1.45A 3gwxB-3x0fA:
undetectable		 3gwxB-3x0fA:
21.03
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.
3ILU_H_HFZH800_1
(GLUTAMATE RECEPTOR 2)		 2qo4 LIVER-BASIC FATTY
ACID BINDING PROTEIN
(Danio
rerio) 		4 / 5 LYS A  35
PRO A  36
SER A  51
SER A 122
 None
None
IPA  A 141 ( 3.7A)
None
 1.08A 3iluH-2qo4A:
undetectable		 3iluH-2qo4A:
17.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KP2_A_PNNA5001_0
(TRANSCRIPTIONAL
REGULATOR TCAR)		 5vol PUTATIVE ESTERASE
(Bacteroides
intestinalis) 		4 / 8 ASN A 160
LEU A 223
SER A 166
HIS A 165
 None
None
None
IPA  A 304 (-3.7A)
 1.10A 3kp2A-5volA:
undetectable
3kp2B-5volA:
undetectable		 3kp2A-5volA:
18.37
3kp2B-5volA:
18.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NDI_A_SAMA601_0
(METHYLTRANSFERASE)		 2r4i UNCHARACTERIZED
PROTEIN
(Cytophaga
hutchinsonii) 		5 / 12 TYR A  68
GLU A  84
ILE A  85
PHE A  98
ILE A  18
 CIT  A 123 (-4.9A)
None
None
IPA  A 126 ( 4.1A)
None
 1.15A 3ndiA-2r4iA:
undetectable		 3ndiA-2r4iA:
19.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3O9M_A_BEZA999_0
(CHOLINESTERASE)		 3q88 GLUCOSE-6-PHOSPHATE
ISOMERASE
(Francisella
tularensis) 		5 / 7 GLY A 287
GLY A 474
SER A 290
LEU A 479
HIS A  36
 None
None
IPA  A 605 ( 4.1A)
None
IPA  A 605 (-4.3A)
 1.43A 3o9mA-3q88A:
undetectable		 3o9mA-3q88A:
21.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OU6_C_SAMC300_0
(SAM-DEPENDENT
METHYLTRANSFERASE)		 2r4i UNCHARACTERIZED
PROTEIN
(Cytophaga
hutchinsonii) 		5 / 12 TYR A  53
GLU A  88
ALA A  59
GLY A  56
SER A  55
 IPA  A 127 (-4.6A)
None
None
None
None
 1.23A 3ou6C-2r4iA:
undetectable		 3ou6C-2r4iA:
20.60
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.
3OU6_D_SAMD300_0
(SAM-DEPENDENT
METHYLTRANSFERASE)		 2r4i UNCHARACTERIZED
PROTEIN
(Cytophaga
hutchinsonii) 		5 / 12 TYR A  53
GLU A  88
ALA A  59
GLY A  56
SER A  55
 IPA  A 127 (-4.6A)
None
None
None
None
 1.22A 3ou6D-2r4iA:
undetectable		 3ou6D-2r4iA:
20.60
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.
3OWX_A_XRAA233_2
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		 2qo4 LIVER-BASIC FATTY
ACID BINDING PROTEIN
(Danio
rerio) 		4 / 5 VAL A  37
ILE A  40
PHE A  47
PHE A  62
 None
None
None
IPA  A 142 ( 4.4A)
 1.05A 3owxB-2qo4A:
undetectable		 3owxB-2qo4A:
23.01
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.
3PRS_A_RITA1001_2
(ENDOTHIAPEPSIN)		 2y6p 3-DEOXY-MANNO-OCTULO
SONATE
CYTIDYLYLTRANSFERASE
(Aquifex
aeolicus) 		5 / 12 ASP A 219
ASP A  95
GLY A  94
GLY A  73
TYR A 170
 MG  A1234 ( 2.3A)
MG  A1234 ( 2.6A)
CTP  A1233 (-3.5A)
CTP  A1233 (-3.4A)
IPA  A1236 ( 4.0A)
 0.92A 3prsA-2y6pA:
undetectable		 3prsA-2y6pA:
20.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3Q5S_A_ACHA1289_0
(MULTIDRUG-EFFLUX
TRANSPORTER 1
REGULATOR)		 3zuz PROTEIN SHQ1
(Saccharomyces
cerevisiae) 		4 / 6 ASN A 487
TYR A 225
GLU A 496
ILE A 493
 IPA  A1506 (-3.3A)
None
None
None
 0.64A 3q5sA-3zuzA:
undetectable		 3q5sA-3zuzA:
20.69
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.
3SFE_C_TMGC1_1
(SUCCINATE
DEHYDROGENASE
[UBIQUINONE]
IRON-SULFUR SUBUNIT,
MITOCHONDRIAL
SUCCINATE
DEHYDROGENASE
CYTOCHROME B560
SUBUNIT,
MITOCHONDRIAL)		 5lgx PENTAERYTHRITOL
TETRANITRATE
REDUCTASE
(Enterobacter
cloacae) 		4 / 8 PRO A 236
HIS A 184
SER A 182
ILE A 232
 None
IPA  A 402 ( 3.5A)
None
None
 1.12A 3sfeB-5lgxA:
undetectable
3sfeC-5lgxA:
undetectable		 3sfeB-5lgxA:
21.56
3sfeC-5lgxA:
18.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3U9F_E_CLME221_1
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		 1gyc LACCASE 2
(Trametes
versicolor) 		3 / 3 PHE A 337
CYH A 453
HIS A 458
 IPA  A1513 ( 4.9A)
CU  A1503 (-2.1A)
CU  A1503 (-3.1A)
 0.93A 3u9fF-1gycA:
0.0		 3u9fF-1gycA:
18.32
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.
3U9F_I_CLMI221_0
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		 1gyc LACCASE 2
(Trametes
versicolor) 		3 / 3 PHE A 337
CYH A 453
HIS A 458
 IPA  A1513 ( 4.9A)
CU  A1503 (-2.1A)
CU  A1503 (-3.1A)
 0.88A 3u9fG-1gycA:
0.0		 3u9fG-1gycA:
18.32
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.
3U9F_R_CLMR221_1
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		 1gyc LACCASE 2
(Trametes
versicolor) 		3 / 3 PHE A 337
CYH A 453
HIS A 458
 IPA  A1513 ( 4.9A)
CU  A1503 (-2.1A)
CU  A1503 (-3.1A)
 0.80A 3u9fS-1gycA:
0.0		 3u9fS-1gycA:
18.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3UPW_A_NCAA412_0
(OLD YELLOW ENZYME
2.6 (OYE2.6), NADPH
DEHYDROGENASE)		 5lgx PENTAERYTHRITOL
TETRANITRATE
REDUCTASE
(Enterobacter
cloacae) 		6 / 9 THR A  26
ALA A  58
HIS A 181
HIS A 184
TYR A 186
TYR A 351
 IPA  A 405 ( 3.4A)
FMN  A 401 (-3.4A)
FMN  A 401 (-3.8A)
IPA  A 402 ( 3.5A)
None
FMN  A 401 ( 4.0A)
 0.30A 3upwA-5lgxA:
47.0		 3upwA-5lgxA:
36.96
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.
3VYW_A_SAMA501_0
(MNMC2)		 4mbz MAJOR CAPSID PROTEIN
VP1
(African
green
monkey
polyomavirus) 		5 / 12 TYR A 222
GLY A 156
ASN A 216
PHE A 153
LEU A 262
 None
None
None
IPA  A 405 (-4.6A)
None
 1.19A 3vywA-4mbzA:
undetectable		 3vywA-4mbzA:
21.98
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.
3VYW_B_SAMB401_0
(MNMC2)		 4mbz MAJOR CAPSID PROTEIN
VP1
(African
green
monkey
polyomavirus) 		5 / 12 TYR A 222
GLY A 156
ASN A 216
PHE A 153
LEU A 262
 None
None
None
IPA  A 405 (-4.6A)
None
 1.20A 3vywB-4mbzA:
undetectable		 3vywB-4mbzA:
21.98
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.
3VYW_B_SAMB401_0
(MNMC2)		 4pot VP1
(Human
polyomavirus
9) 		5 / 12 TYR A 225
GLY A 159
ASN A 219
PHE A 156
LEU A 265
 None
None
None
IPA  A 404 (-4.6A)
None
 1.20A 3vywB-4potA:
undetectable		 3vywB-4potA:
21.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4A3U_A_NCAA1359_0
(NADH:FLAVIN
OXIDOREDUCTASE/NADH
OXIDASE)		 5lgx PENTAERYTHRITOL
TETRANITRATE
REDUCTASE
(Enterobacter
cloacae) 		4 / 7 THR A  26
HIS A 181
TYR A 186
TYR A 351
 IPA  A 405 ( 3.4A)
FMN  A 401 (-3.8A)
None
FMN  A 401 ( 4.0A)
 0.21A 4a3uA-5lgxA:
54.8		 4a3uA-5lgxA:
41.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4A3U_B_NCAB1359_0
(NADH:FLAVIN
OXIDOREDUCTASE/NADH
OXIDASE)		 5lgx PENTAERYTHRITOL
TETRANITRATE
REDUCTASE
(Enterobacter
cloacae) 		4 / 7 THR A  26
HIS A 181
TYR A 186
TYR A 351
 IPA  A 405 ( 3.4A)
FMN  A 401 (-3.8A)
None
FMN  A 401 ( 4.0A)
 0.22A 4a3uB-5lgxA:
54.9		 4a3uB-5lgxA:
41.62
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.
4B3Q_A_NVPA999_1
(REVERSE
TRANSCRIPTASE/RIBONU
CLEASE H)		 2wsj P-COUMARIC ACID
DECARBOXYLASE
(Lactobacillus
plantarum) 		4 / 7 LEU A  79
VAL A  36
TYR A  26
TYR A  38
 IPA  A1179 (-4.4A)
None
IPA  A1179 ( 4.0A)
IPA  A1179 ( 4.5A)
 1.05A 4b3qA-2wsjA:
undetectable		 4b3qA-2wsjA:
15.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4DF2_A_4CHA506_0
(NADPH DEHYDROGENASE)		 5lgx PENTAERYTHRITOL
TETRANITRATE
REDUCTASE
(Enterobacter
cloacae) 		6 / 6 THR A  26
TYR A  68
HIS A 181
HIS A 184
TYR A 186
TYR A 351
 IPA  A 405 ( 3.4A)
IPA  A 405 (-4.5A)
FMN  A 401 (-3.8A)
IPA  A 402 ( 3.5A)
None
FMN  A 401 ( 4.0A)
 0.70A 4df2A-5lgxA:
47.0		 4df2A-5lgxA:
36.96
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.
4EQL_A_SALA602_1
(4-SUBSTITUTED
BENZOATES-GLUTAMATE
LIGASE GH3.12)		 5lgx PENTAERYTHRITOL
TETRANITRATE
REDUCTASE
(Enterobacter
cloacae) 		5 / 7 LEU A  28
ARG A 142
THR A  26
THR A 131
GLY A  67
 None
None
IPA  A 405 ( 3.4A)
None
None
 1.35A 4eqlA-5lgxA:
undetectable		 4eqlA-5lgxA:
19.73
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.
4F5Z_A_BEZA302_0
(HALOALKANE
DEHALOGENASE)		 6d34 TERC
(Streptomyces) 		4 / 8 ASP A 173
VAL A 116
LEU A 125
HIS A  90
 IPA  A 202 ( 3.6A)
IPA  A 201 ( 4.4A)
IPA  A 202 ( 4.4A)
IPA  A 201 (-3.5A)
 1.21A 4f5zA-6d34A:
undetectable		 4f5zA-6d34A:
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.
4HXY_B_ACAB502_1
(PLM1)		 1cyd CARBONYL REDUCTASE
(Mus
musculus) 		4 / 7 VAL A  87
SER A 136
TYR A 149
MET A 186
 None
IPA  A 246 ( 2.7A)
IPA  A 246 ( 4.4A)
NDP  A 245 (-3.6A)
 0.40A 4hxyB-1cydA:
19.2		 4hxyB-1cydA:
21.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KOT_A_CE3A205_1
(UNCHARACTERIZED
PROTEIN)		 2bm3 SCAFFOLDING DOCKERIN
BINDING PROTEIN A
(Ruminiclostridiu
m
thermocellum) 		5 / 12 GLY A 146
ASN A  42
ILE A 144
PHE A 150
TYR A 160
 None
None
None
IPA  A1167 ( 4.5A)
None
 1.24A 4kotA-2bm3A:
undetectable		 4kotA-2bm3A:
23.73
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.
4KOV_A_KOVA204_1
(UNCHARACTERIZED
PROTEIN)		 2bm3 SCAFFOLDING DOCKERIN
BINDING PROTEIN A
(Ruminiclostridiu
m
thermocellum) 		5 / 12 GLY A 146
ASN A  42
ILE A 144
PHE A 150
TYR A 160
 None
None
None
IPA  A1167 ( 4.5A)
None
 1.25A 4kovA-2bm3A:
undetectable		 4kovA-2bm3A:
23.73
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.
4KTT_A_SAMA405_0
(S-ADENOSYLMETHIONINE
SYNTHASE ISOFORM
TYPE-2)		 1wb0 CHITOTRIOSIDASE 1
(Homo
sapiens) 		4 / 8 PRO A 325
SER A 308
SER A 371
ASP A 338
 None
None
None
IPA  A1393 (-3.5A)
 1.20A 4kttA-1wb0A:
undetectable		 4kttA-1wb0A:
22.67
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.
4KTT_C_SAMC404_0
(S-ADENOSYLMETHIONINE
SYNTHASE ISOFORM
TYPE-2)		 1wb0 CHITOTRIOSIDASE 1
(Homo
sapiens) 		4 / 8 PRO A 325
SER A 308
SER A 371
ASP A 338
 None
None
None
IPA  A1393 (-3.5A)
 1.21A 4kttC-1wb0A:
undetectable		 4kttC-1wb0A:
22.67
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.
4MA8_C_Z80C301_1
(MAJOR PRION PROTEIN)		 4wql 2''-AMINOGLYCOSIDE
NUCLEOTIDYLTRANSFERA
SE
(Klebsiella
pneumoniae) 		4 / 5 GLY A  28
ILE A   9
LYS A   3
GLN A   5
 IPA  A 204 (-3.3A)
None
None
None
 1.20A 4ma8C-4wqlA:
undetectable		 4ma8C-4wqlA:
18.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4N16_A_CHDA301_0
(CARBONIC ANHYDRASE 2)		 3x0f CD81 ANTIGEN
(Mus
musculus) 		4 / 8 GLN A 187
HIS A 151
THR A 167
THR A 168
 None
None
IPA  A 303 ( 4.1A)
None
 0.91A 4n16A-3x0fA:
undetectable		 4n16A-3x0fA:
19.82
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.
4PD9_A_ADNA501_2
(NUPC FAMILY PROTEIN)		 4fio METHENYLTETRAHYDROME
THANOPTERIN
CYCLOHYDROLASE
(Methanobrevibact
er
ruminantium) 		3 / 3 THR A 124
ASN A 189
PHE A 288
 None
IPA  A 402 (-3.0A)
EEE  A 401 (-4.1A)
 0.73A 4pd9A-4fioA:
undetectable		 4pd9A-4fioA:
24.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PGH_A_SAMA401_0
(CAFFEIC ACID
O-METHYLTRANSFERASE)		 4mla CYTOKININ OXIDASE 2
(Zea
mays) 		5 / 11 GLY A 135
GLY A 136
VAL A 142
ASP A 132
ILE A 224
 FAD  A 601 ( 4.4A)
None
None
IPA  A 603 (-3.5A)
FAD  A 601 (-3.9A)
 1.12A 4pghA-4mlaA:
undetectable		 4pghA-4mlaA:
23.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PQA_A_X8ZA401_1
(SUCCINYL-DIAMINOPIME
LATE DESUCCINYLASE)		 3rza TRIPEPTIDASE
(Staphylococcus
aureus) 		7 / 11 HIS A  79
ASP A 110
GLU A 143
GLU A 144
GLY A 321
GLY A 322
HIS A 347
 ZN  A 401 (-3.3A)
ZN  A 401 ( 2.5A)
ZN  A 401 ( 3.8A)
CA  A 402 (-2.2A)
IPA  A 408 (-3.6A)
CIT  A 407 (-3.5A)
CA  A 402 (-3.4A)
 0.56A 4pqaA-3rzaA:
35.2		 4pqaA-3rzaA:
24.82
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.
4QZU_C_ACTC202_0
(RETINOL-BINDING
PROTEIN 2)		 5hyo PEDV 3CLPRO
(Porcine
epidemic
diarrhea
virus) 		4 / 6 TYR A 102
THR A  35
GLN A  87
LEU A 176
 IPA  A 405 (-4.6A)
IPA  A 405 (-3.9A)
IPA  A 405 (-3.4A)
None
 1.04A 4qzuC-5hyoA:
undetectable		 4qzuC-5hyoA:
19.74
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.
4RJD_B_TFPB203_1
(CALMODULIN)		 6d34 TERC
(Streptomyces) 		4 / 7 PHE A  70
LEU A 125
MET A 123
MET A 171
 IPA  A 202 ( 4.4A)
IPA  A 202 ( 4.4A)
IPA  A 201 (-2.9A)
IPA  A 202 ( 4.1A)
 0.91A 4rjdB-6d34A:
undetectable		 4rjdB-6d34A:
11.11
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.
4WOZ_B_MN9B401_0
(N-ACETYLNEURAMINATE
LYASE)		 3ezi NITRATE/NITRITE
SENSOR PROTEIN NARX
(Escherichia
coli) 		4 / 6 LEU A 134
ASP A 135
TYR A 105
LEU A 102
 None
None
IPA  A   1 ( 4.2A)
IPA  A   1 ( 4.8A)
 1.03A 4wozA-3eziA:
undetectable
4wozB-3eziA:
undetectable		 4wozA-3eziA:
20.34
4wozB-3eziA:
20.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4YV5_A_SVRA205_2
(BASIC PHOSPHOLIPASE
A2 HOMOLOG 2)		 1mc2 ACUTOHAEMONLYSIN
(Deinagkistrodon
acutus) 		4 / 6 LYS A1007
ASN A1016
PRO A1017
ARG A1072
 None
None
IPA  A1136 (-4.4A)
None
 0.67A 4yv5B-1mc2A:
24.2		 4yv5B-1mc2A:
77.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4YV5_B_SVRB207_1
(BASIC PHOSPHOLIPASE
A2 HOMOLOG 2)		 1mc2 ACUTOHAEMONLYSIN
(Deinagkistrodon
acutus) 		4 / 6 LYS A1007
ASN A1016
PRO A1017
ARG A1072
 None
None
IPA  A1136 (-4.4A)
None
 0.63A 4yv5A-1mc2A:
23.9		 4yv5A-1mc2A:
77.24
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.
4Z91_F_4LEF401_1
(GAMMA-AMINOBUTYRIC-A
CID RECEPTOR SUBUNIT
BETA-1)		 3x0f CD81 ANTIGEN
(Mus
musculus) 		4 / 7 LEU A 185
THR A 168
THR A 164
LEU A 165
 None
None
None
IPA  A 301 ( 3.4A)
 0.92A 4z91F-3x0fA:
undetectable
4z91G-3x0fA:
undetectable
4z91H-3x0fA:
undetectable
4z91I-3x0fA:
undetectable
4z91J-3x0fA:
undetectable		 4z91F-3x0fA:
13.64
4z91G-3x0fA:
13.64
4z91H-3x0fA:
13.64
4z91I-3x0fA:
13.64
4z91J-3x0fA:
13.64
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.
4ZBQ_A_DIFA601_1
(SERUM ALBUMIN)		 2wgy CYTOCHROME P450 130
(Mycobacterium
tuberculosis) 		5 / 11 VAL A 380
PHE A 144
GLY A 253
LEU A 259
ARG A 266
 None
IPA  A1408 (-4.0A)
None
None
None
 1.10A 4zbqA-2wgyA:
3.2		 4zbqA-2wgyA:
20.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ZJL_A_ERYA1101_0
(MULTIDRUG EFFLUX
PUMP SUBUNIT ACRB)		 2y6p 3-DEOXY-MANNO-OCTULO
SONATE
CYTIDYLYLTRANSFERASE
(Aquifex
aeolicus) 		5 / 12 PHE A 108
GLU A 195
LEU A 199
GLY A 181
MET A 183
 None
IPA  A1236 (-3.9A)
None
None
None
 1.37A 4zjlA-2y6pA:
undetectable		 4zjlA-2y6pA:
11.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5DV4_A_NMYA601_2
(CCR4-NOT
TRANSCRIPTION
COMPLEX SUBUNIT
6-LIKE)		 2zj9 AMPC
(Escherichia
coli) 		3 / 3 GLU A 272
TRP A 312
ASN A 346
 IPA  A 362 (-4.3A)
None
None
 0.98A 5dv4A-2zj9A:
undetectable		 5dv4A-2zj9A:
21.35
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.
5DXE_A_ESTA1000_1
(ESTROGEN RECEPTOR)		 5x7l TSRD
(Streptomyces
laurentii) 		4 / 8 MET A  47
LEU A   9
MET A  10
HIS A 117
 IPA  A 202 (-4.3A)
None
None
IPA  A 202 (-3.5A)
 1.23A 5dxeA-5x7lA:
undetectable		 5dxeA-5x7lA:
15.89
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.
5F9Z_A_HFGA702_0
(AMINOACYL-TRNA
SYNTHETASE)		 3ni8 PFC0360W PROTEIN
(Plasmodium
falciparum) 		5 / 12 LEU A 145
GLY A 139
GLU A  85
SER A  98
GLY A  72
 None
None
IPA  A 159 (-3.0A)
None
None
 1.35A 5f9zA-3ni8A:
undetectable		 5f9zA-3ni8A:
15.90
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.
5G5G_B_ACTB1321_0
(PUTATIVE XANTHINE
DEHYDROGENASE YAGR
MOLYBDENUM-BINDING
SU SUBUNIT)		 4j20 CYTOCHROME C-555
(Chlorobaculum
tepidum) 		3 / 3 THR A  72
ASP A  73
ALA A  74
 IPA  A 105 ( 4.8A)
None
IPA  A 102 ( 4.0A)
 0.07A 5g5gB-4j20A:
undetectable		 5g5gB-4j20A:
12.46
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.
5IGJ_A_CTYA402_2
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		 2vsm HEMAGGLUTININ-NEURAM
INIDASE
(Nipah
henipavirus) 		4 / 5 PRO A 535
LEU A 222
TYR A 454
PHE A 466
 None
None
IPA  A1604 (-4.5A)
None
 1.39A 5igjA-2vsmA:
1.8		 5igjA-2vsmA:
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.
5IGW_A_CTYA404_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E II)		 5x7l TSRD
(Streptomyces
laurentii) 		5 / 12 GLY A  46
TYR A  33
ASP A 119
HIS A 117
GLU A 120
 None
None
IPA  A 202 ( 4.8A)
IPA  A 202 (-3.5A)
None
 1.40A 5igwA-5x7lA:
2.4		 5igwA-5x7lA:
17.49
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.
5IH0_A_ERYA404_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E II)		 4a6q HISTONE DEACETYLASE
COMPLEX SUBUNIT
SAP18
(Mus
musculus) 		4 / 6 ASP A 134
HIS A  41
ILE A 137
TYR A  77
 None
None
None
IPA  A1144 (-3.8A)
 1.25A 5ih0A-4a6qA:
undetectable		 5ih0A-4a6qA:
20.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5L8O_B_CHDB1001_0
(GASTROTROPIN)		 2qo4 LIVER-BASIC FATTY
ACID BINDING PROTEIN
(Danio
rerio) 		5 / 12 TYR A  14
ILE A  70
THR A  72
LEU A  89
GLU A 109
 None
IPA  A 141 ( 4.5A)
GOL  A 145 (-3.2A)
IPA  A 142 ( 4.7A)
None
 0.92A 5l8oB-2qo4A:
20.9		 5l8oB-2qo4A:
43.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5LF7_K_6V8K305_0
(PROTEASOME SUBUNIT
BETA TYPE-1
PROTEASOME SUBUNIT
BETA TYPE-5)		 1gyc LACCASE 2
(Trametes
versicolor) 		5 / 11 ALA A 386
THR A 387
ALA A 388
GLY A 392
ALA A 393
 None
None
None
IPA  A1513 ( 3.8A)
None
 0.92A 5lf7K-1gycA:
undetectable
5lf7L-1gycA:
undetectable		 5lf7K-1gycA:
16.63
5lf7L-1gycA:
18.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5LF7_Y_6V8Y306_0
(PROTEASOME SUBUNIT
BETA TYPE-1
PROTEASOME SUBUNIT
BETA TYPE-5)		 1gyc LACCASE 2
(Trametes
versicolor) 		5 / 11 ALA A 386
THR A 387
ALA A 388
GLY A 392
ALA A 393
 None
None
None
IPA  A1513 ( 3.8A)
None
 0.93A 5lf7Y-1gycA:
undetectable
5lf7Z-1gycA:
undetectable		 5lf7Y-1gycA:
16.63
5lf7Z-1gycA:
18.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5LJB_A_RTLA201_1
(RETINOL-BINDING
PROTEIN 1)		 1we1 HEME OXYGENASE 1
(Synechocystis
sp.
PCC
6803) 		4 / 8 LEU A  74
LEU A 129
ILE A  65
MET A  57
 None
HEM  A 300 ( 4.4A)
None
IPA  A1005 (-4.8A)
 1.01A 5ljbA-1we1A:
undetectable		 5ljbA-1we1A:
18.33
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.
5MSD_A_BEZA1202_0
(CARBOXYLIC ACID
REDUCTASE)		 5wqs BETA-AMYLASE
(Ipomoea
batatas) 		4 / 5 ILE A 301
PHE A 201
SER A 359
ALA A 312
 None
IPA  A 501 ( 4.4A)
None
None
 1.16A 5msdA-5wqsA:
2.4		 5msdA-5wqsA:
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.
5ND2_B_TA1B601_1
(TUBULIN BETA-2B
CHAIN)		 5h5x PUTATIVE
OXIDOREDUCTASE
(Streptomyces
coelicolor) 		5 / 12 VAL A 234
GLU A 233
LEU A 159
ARG A 227
LEU A 228
 None
None
IPA  A 302 ( 4.4A)
None
None
 1.42A 5nd2B-5h5xA:
6.4		 5nd2B-5h5xA:
22.00
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.
5TL8_A_X2NA502_2
(PROTEIN CYP51)		 4mbz MAJOR CAPSID PROTEIN
VP1
(African
green
monkey
polyomavirus) 		4 / 6 PRO A 253
LEU A 262
PHE A 153
LEU A 160
 EDO  A 403 (-4.2A)
None
IPA  A 405 (-4.6A)
None
 1.01A 5tl8A-4mbzA:
undetectable		 5tl8A-4mbzA:
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.
5TL8_A_X2NA502_2
(PROTEIN CYP51)		 4pot VP1
(Human
polyomavirus
9) 		4 / 6 PRO A 256
LEU A 265
PHE A 156
LEU A 163
 None
None
IPA  A 404 (-4.6A)
None
 1.03A 5tl8A-4potA:
undetectable		 5tl8A-4potA:
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.
5UO0_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3mqo TRANSCRIPTIONAL
REGULATOR, LUXR
FAMILY
(Burkholderia
thailandensis) 		4 / 7 PHE A  58
MET A  81
ARG A  23
VAL A  50
 None
None
IPA  A   1 ( 3.8A)
None
 1.48A 5uo0A-3mqoA:
undetectable
5uo0B-3mqoA:
undetectable		 5uo0A-3mqoA:
14.29
5uo0B-3mqoA:
14.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5UO8_A_H4BA502_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 5fip GH5 CELLULASE
(unidentified) 		4 / 6 SER A 266
TRP A 314
PHE A 317
GLU A 313
 IPA  A1395 (-4.8A)
None
PEG  A1387 (-4.7A)
None
 1.50A 5uo8A-5fipA:
undetectable
5uo8B-5fipA:
undetectable		 5uo8A-5fipA:
23.44
5uo8B-5fipA:
23.44
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.
5UUN_A_ACTA310_0
(GLUTATHIONE
S-TRANSFERASE-LIKE
PROTEIN)		 2fwr DNA REPAIR PROTEIN
RAD25
(Archaeoglobus
fulgidus) 		3 / 3 GLU A 200
HIS A 203
ARG A 230
 None
None
IPA  A6001 (-3.0A)
 0.82A 5uunA-2fwrA:
undetectable		 5uunA-2fwrA:
21.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5V4V_A_NCAA402_0
(NADPH DEHYDROGENASE
3)		 5lgx PENTAERYTHRITOL
TETRANITRATE
REDUCTASE
(Enterobacter
cloacae) 		4 / 8 THR A  26
HIS A 181
TYR A 186
TYR A 351
 IPA  A 405 ( 3.4A)
FMN  A 401 (-3.8A)
None
FMN  A 401 ( 4.0A)
 0.25A 5v4vA-5lgxA:
49.2		 5v4vA-5lgxA:
39.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5V4V_B_NCAB402_0
(NADPH DEHYDROGENASE
3)		 5lgx PENTAERYTHRITOL
TETRANITRATE
REDUCTASE
(Enterobacter
cloacae) 		4 / 8 THR A  26
HIS A 181
TYR A 186
TYR A 351
 IPA  A 405 ( 3.4A)
FMN  A 401 (-3.8A)
None
FMN  A 401 ( 4.0A)
 0.23A 5v4vB-5lgxA:
49.2		 5v4vB-5lgxA:
39.11
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.
5VC0_A_RITA602_1
(CYTOCHROME P450 3A4)		 2wge 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 1
(Mycobacterium
tuberculosis) 		5 / 12 ASP A 377
ARG A 234
ILE A 347
ALA A 170
ALA A 279
 None
None
GOL  A1421 (-3.9A)
None
IPA  A1423 (-4.5A)
 1.00A 5vc0A-2wgeA:
undetectable		 5vc0A-2wgeA:
21.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VKQ_A_PCFA1805_0
(NO MECHANORECEPTOR
POTENTIAL C ISOFORM
L)		 2wsj P-COUMARIC ACID
DECARBOXYLASE
(Lactobacillus
plantarum) 		4 / 7 PHE A  94
ILE A 104
SER A  71
THR A  75
 None
None
NA  A1182 (-2.9A)
IPA  A1180 ( 4.3A)
 0.97A 5vkqA-2wsjA:
undetectable
5vkqD-2wsjA:
undetectable		 5vkqA-2wsjA:
6.99
5vkqD-2wsjA:
6.99
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.
5VKQ_B_PCFB1802_0
(NO MECHANORECEPTOR
POTENTIAL C ISOFORM
L)		 2wsj P-COUMARIC ACID
DECARBOXYLASE
(Lactobacillus
plantarum) 		4 / 7 SER A  71
THR A  75
PHE A  94
ILE A 104
 NA  A1182 (-2.9A)
IPA  A1180 ( 4.3A)
None
None
 0.97A 5vkqA-2wsjA:
undetectable
5vkqB-2wsjA:
undetectable		 5vkqA-2wsjA:
6.99
5vkqB-2wsjA:
6.99
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.
5VKQ_C_PCFC1803_0
(NO MECHANORECEPTOR
POTENTIAL C ISOFORM
L)		 2wsj P-COUMARIC ACID
DECARBOXYLASE
(Lactobacillus
plantarum) 		4 / 8 SER A  71
THR A  75
PHE A  94
ILE A 104
 NA  A1182 (-2.9A)
IPA  A1180 ( 4.3A)
None
None
 0.96A 5vkqB-2wsjA:
undetectable
5vkqC-2wsjA:
undetectable		 5vkqB-2wsjA:
6.99
5vkqC-2wsjA:
6.99
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.
5VKQ_D_PCFD1803_0
(NO MECHANORECEPTOR
POTENTIAL C ISOFORM
L)		 2wsj P-COUMARIC ACID
DECARBOXYLASE
(Lactobacillus
plantarum) 		4 / 7 SER A  71
THR A  75
PHE A  94
ILE A 104
 NA  A1182 (-2.9A)
IPA  A1180 ( 4.3A)
None
None
 0.96A 5vkqC-2wsjA:
undetectable
5vkqD-2wsjA:
undetectable		 5vkqC-2wsjA:
6.99
5vkqD-2wsjA:
6.99
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.
5VLM_G_CVIG301_0
(REGULATORY PROTEIN
TETR)		 5wt4 CYSTEINE DESULFURASE
ISCS
(Helicobacter
pylori) 		5 / 12 MET A 254
ALA A 204
LEU A  55
ILE A  59
ASP A  66
 None
None
None
None
IPA  A 501 ( 4.7A)
 1.28A 5vlmG-5wt4A:
undetectable		 5vlmG-5wt4A:
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.
5X66_F_MTXF402_1
(THYMIDYLATE SYNTHASE)		 5h5x PUTATIVE
OXIDOREDUCTASE
(Streptomyces
coelicolor) 		5 / 12 ASP A 257
GLY A 201
PHE A 202
ALA A 262
VAL A 263
 None
IPA  A 302 (-4.8A)
IPA  A 302 (-3.3A)
None
None
 1.16A 5x66F-5h5xA:
undetectable		 5x66F-5h5xA:
23.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5XDH_C_DAHC60_1
(PUTATIVE CYTOCHROME
C)		 5x7l TSRD
(Streptomyces
laurentii) 		4 / 6 GLN A 129
MET A  79
VAL A 101
LEU A 103
 IPA  A 203 (-3.7A)
None
None
IPA  A 201 ( 4.8A)
 1.02A 5xdhA-5x7lA:
undetectable
5xdhC-5x7lA:
undetectable		 5xdhA-5x7lA:
22.83
5xdhC-5x7lA:
22.83
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.
5Z84_W_CHDW101_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 4wql 2''-AMINOGLYCOSIDE
NUCLEOTIDYLTRANSFERA
SE
(Klebsiella
pneumoniae) 		4 / 5 PHE A 133
TYR A 152
ARG A 153
THR A 157
 IPA  A 206 (-4.8A)
IPA  A 206 (-4.0A)
None
None
 1.16A 5z84N-4wqlA:
undetectable
5z84W-4wqlA:
undetectable		 5z84N-4wqlA:
16.87
5z84W-4wqlA:
15.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Z86_C_CHDC306_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 2qyv XAA-HIS DIPEPTIDASE
(Histophilus
somni) 		4 / 6 GLN A 282
PHE A 233
LEU A 237
PHE A 244
 IPA  A 519 (-4.0A)
None
None
None
 1.09A 5z86C-2qyvA:
undetectable
5z86J-2qyvA:
undetectable		 5z86C-2qyvA:
18.70
5z86J-2qyvA:
8.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Z86_P_CHDP307_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 2qyv XAA-HIS DIPEPTIDASE
(Histophilus
somni) 		4 / 6 GLN A 282
PHE A 233
LEU A 237
PHE A 244
 IPA  A 519 (-4.0A)
None
None
None
 1.10A 5z86P-2qyvA:
undetectable
5z86W-2qyvA:
undetectable		 5z86P-2qyvA:
18.70
5z86W-2qyvA:
8.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZCO_P_CHDP305_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 2qyv XAA-HIS DIPEPTIDASE
(Histophilus
somni) 		4 / 6 GLN A 282
PHE A 233
LEU A 237
PHE A 244
 IPA  A 519 (-4.0A)
None
None
None
 1.07A 5zcoP-2qyvA:
undetectable
5zcoW-2qyvA:
undetectable		 5zcoP-2qyvA:
18.70
5zcoW-2qyvA:
8.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZCP_C_CHDC306_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 2qyv XAA-HIS DIPEPTIDASE
(Histophilus
somni) 		4 / 6 GLN A 282
PHE A 233
LEU A 237
PHE A 244
 IPA  A 519 (-4.0A)
None
None
None
 1.05A 5zcpC-2qyvA:
undetectable
5zcpJ-2qyvA:
undetectable		 5zcpC-2qyvA:
18.70
5zcpJ-2qyvA:
8.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZCP_P_CHDP306_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 2qyv XAA-HIS DIPEPTIDASE
(Histophilus
somni) 		4 / 6 GLN A 282
PHE A 233
LEU A 237
PHE A 244
 IPA  A 519 (-4.0A)
None
None
None
 1.10A 5zcpP-2qyvA:
undetectable
5zcpW-2qyvA:
undetectable		 5zcpP-2qyvA:
18.70
5zcpW-2qyvA:
8.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6AG0_A_ACRA609_0
(ALPHA-AMYLASE)		 5h3b UNCHARACTERIZED
PROTEIN HI_1552
(Haemophilus
influenzae) 		4 / 7 GLY A  19
TRP A  20
MET A   1
TYR A  44
 IPA  A 302 (-3.6A)
None
None
None
 1.26A 6ag0A-5h3bA:
undetectable		 6ag0A-5h3bA:
19.52
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.
6AG0_C_ACRC609_0
(ALPHA-AMYLASE)		 5h3b UNCHARACTERIZED
PROTEIN HI_1552
(Haemophilus
influenzae) 		4 / 7 GLY A  19
TRP A  20
MET A   1
TYR A  44
 IPA  A 302 (-3.6A)
None
None
None
 1.25A 6ag0C-5h3bA:
undetectable		 6ag0C-5h3bA:
19.52
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.
6BP4_A_SAMA505_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-9 SPECIFIC)		 2r4i UNCHARACTERIZED
PROTEIN
(Cytophaga
hutchinsonii) 		3 / 3 ILE A  69
ASN A  82
CYH A 118
 None
None
IPA  A 126 ( 3.7A)
 0.93A 6bp4A-2r4iA:
undetectable		 6bp4A-2r4iA:
17.38
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.
6BPL_B_PA1B605_1
(LIPID A EXPORT
ATP-BINDING/PERMEASE
PROTEIN MSBA)		 3mqo TRANSCRIPTIONAL
REGULATOR, LUXR
FAMILY
(Burkholderia
thailandensis) 		3 / 3 ARG A  79
ARG A  23
ARG A  60
 IPA  A   1 ( 4.9A)
IPA  A   1 ( 3.8A)
None
 1.10A 6bplA-3mqoA:
undetectable
6bplB-3mqoA:
undetectable		 6bplA-3mqoA:
19.51
6bplB-3mqoA:
19.51
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.
6BRD_B_RFPB502_2
(RIFAMPIN
MONOOXYGENASE)		 2zj9 AMPC
(Escherichia
coli) 		4 / 6 GLN A 267
VAL A 313
LEU A 107
PRO A 304
 IPA  A 362 ( 4.6A)
None
None
None
 1.04A 6brdB-2zj9A:
undetectable		 6brdB-2zj9A:
14.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6CBZ_A_ESTA601_1
(ESTROGEN RECEPTOR)		 5x7l TSRD
(Streptomyces
laurentii) 		4 / 8 MET A  47
LEU A   9
MET A  10
HIS A 117
 IPA  A 202 (-4.3A)
None
None
IPA  A 202 (-3.5A)
 1.22A 6cbzA-5x7lA:
undetectable		 6cbzA-5x7lA:
23.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6CE2_B_SVRB202_1
()		 1mc2 ACUTOHAEMONLYSIN
(Deinagkistrodon
acutus) 		6 / 8 LEU A1002
LEU A1005
GLY A1033
ARG A1034
LYS A1049
TYR A1052
 IPA  A1136 ( 4.7A)
IPA  A1135 ( 4.2A)
None
None
None
None
 0.78A 6ce2A-1mc2A:
23.1		 6ce2A-1mc2A:
72.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6CE2_B_SVRB202_1
()		 1mc2 ACUTOHAEMONLYSIN
(Deinagkistrodon
acutus) 		6 / 8 LEU A1002
LEU A1005
GLY A1033
LYS A1049
TYR A1052
LYS A1069
 IPA  A1136 ( 4.7A)
IPA  A1135 ( 4.2A)
None
None
None
None
 0.64A 6ce2A-1mc2A:
23.1		 6ce2A-1mc2A:
72.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6CE2_B_SVRB202_2
(-)		 1mc2 ACUTOHAEMONLYSIN
(Deinagkistrodon
acutus) 		6 / 12 LEU A1002
GLY A1023
GLY A1030
GLY A1033
ARG A1034
LYS A1049
 IPA  A1136 ( 4.7A)
IPA  A1135 ( 4.1A)
IPA  A1135 ( 4.4A)
None
None
None
 1.27A 6ce2B-1mc2A:
22.7		 6ce2B-1mc2A:
72.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6CE2_B_SVRB202_2
(-)		 1mc2 ACUTOHAEMONLYSIN
(Deinagkistrodon
acutus) 		5 / 12 LEU A1002
GLY A1023
GLY A1030
GLY A1033
LYS A1049
 IPA  A1136 ( 4.7A)
IPA  A1135 ( 4.1A)
IPA  A1135 ( 4.4A)
None
None
 0.94A 6ce2B-1mc2A:
22.7		 6ce2B-1mc2A:
72.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6CE2_B_SVRB202_2
(-)		 1mc2 ACUTOHAEMONLYSIN
(Deinagkistrodon
acutus) 		6 / 12 LEU A1002
LEU A1005
GLY A1023
GLY A1030
GLY A1033
TYR A1052
 IPA  A1136 ( 4.7A)
IPA  A1135 ( 4.2A)
IPA  A1135 ( 4.1A)
IPA  A1135 ( 4.4A)
None
None
 0.88A 6ce2B-1mc2A:
22.7		 6ce2B-1mc2A:
72.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6CE2_B_SVRB202_2
(-)		 1mc2 ACUTOHAEMONLYSIN
(Deinagkistrodon
acutus) 		6 / 12 LEU A1005
GLY A1023
GLY A1030
GLY A1033
ARG A1034
TYR A1052
 IPA  A1135 ( 4.2A)
IPA  A1135 ( 4.1A)
IPA  A1135 ( 4.4A)
None
None
None
 0.54A 6ce2B-1mc2A:
22.7		 6ce2B-1mc2A:
72.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DYO_A_LDPA901_0
(EBONY)		 3x0f CD81 ANTIGEN
(Mus
musculus) 		4 / 5 VAL A 147
LEU A 131
HIS A 191
THR A 167
 None
IPA  A 303 ( 3.7A)
None
IPA  A 303 ( 4.1A)
 1.50A 6dyoA-3x0fA:
undetectable		 6dyoA-3x0fA:
16.48
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.
6FBN_B_SAMB401_1
(S-ADENOSYLMETHIONINE
SYNTHASE ISOFORM
TYPE-2)		 1wb0 CHITOTRIOSIDASE 1
(Homo
sapiens) 		4 / 8 PRO A 325
SER A 308
SER A 371
ASP A 338
 None
None
None
IPA  A1393 (-3.5A)
 1.22A 6fbnB-1wb0A:
undetectable		 6fbnB-1wb0A:
22.67
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.
6FBV_D_FI8D1904_0
(DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA
DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA')		 4mla CYTOKININ OXIDASE 2
(Zea
mays) 		4 / 8 GLN A 189
THR A 201
VAL A 200
SER A 208
 IPA  A 603 (-4.4A)
IPA  A 603 ( 4.5A)
None
None
 1.16A 6fbvC-4mlaA:
undetectable		 6fbvC-4mlaA:
17.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6FCB_A_SAMA405_0
(S-ADENOSYLMETHIONINE
SYNTHASE ISOFORM
TYPE-2)		 1wb0 CHITOTRIOSIDASE 1
(Homo
sapiens) 		4 / 8 PRO A 325
SER A 308
SER A 371
ASP A 338
 None
None
None
IPA  A1393 (-3.5A)
 1.17A 6fcbA-1wb0A:
undetectable		 6fcbA-1wb0A:
22.67
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.
6GNF_A_QPSA602_1
(-)		 4fio METHENYLTETRAHYDROME
THANOPTERIN
CYCLOHYDROLASE
(Methanobrevibact
er
ruminantium) 		5 / 12 ASP A 275
ASP A 230
ASN A 229
PHE A 269
GLU A 142
 None
None
IPA  A 402 (-4.1A)
None
None
 1.33A 6gnfA-4fioA:
undetectable		 6gnfA-4fioA:
23.57