SIMILAR PATTERNS OF AMINO ACIDS FOR 3D4S_A_TIMA401

List of similar pattern of amino acids derived from ASSAM search

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 link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism
Pfam Res. 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.
1ahs AFRICAN HORSE
SICKNESS VIRUS
(SEROTYPE 4) VP7


(African horse
sickness virus)
PF00897
(Orbi_VP7)
5 VAL A 170
VAL A 231
TRP A 225
PHE A 186
TYR A 129
None
1.19A 3d4sA-1ahsA:
undetectable
3d4sA-1ahsA:
12.73
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.
1gy9 ALPHA-KETOGLUTARATE-
DEPENDENT TAURINE
DIOXYGENASE


(Escherichia
coli)
PF02668
(TauD)
5 TRP A 248
ASP A 101
VAL A 102
PHE A 159
ASN A  95
None
FE  A 300 (-2.3A)
TAU  A 350 (-3.8A)
TAU  A 350 (-4.3A)
AKG  A 351 ( 3.5A)
1.17A 3d4sA-1gy9A:
undetectable
3d4sA-1gy9A:
18.99
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.
1hfe PROTEIN (FE-ONLY
HYDROGENASE
(E.C.1.18.99.1)
(LARGER SUBUNIT))


(Desulfovibrio
vulgaris)
PF02906
(Fe_hyd_lg_C)
PF13237
(Fer4_10)
5 VAL L 359
SER L 368
TRP L 182
PHE L 175
TYR L 185
None
1.46A 3d4sA-1hfeL:
undetectable
3d4sA-1hfeL:
21.63
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.
1o0s NAD-DEPENDENT MALIC
ENZYME


(Ascaris suum)
PF00390
(malic)
PF03949
(Malic_M)
5 THR A 177
ASP A 178
ASN A 275
ASN A 277
TYR A 247
None
None
NAI  A 920 (-3.1A)
None
None
1.24A 3d4sA-1o0sA:
undetectable
3d4sA-1o0sA:
20.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qgc PROTEIN (VIRUS
CAPSID PROTEIN VP3)


(Foot-and-mouth
disease virus)
PF00073
(Rhv)
5 THR 3 112
VAL 3 200
VAL 3 201
PHE 3  57
TYR 3 121
None
1.30A 3d4sA-1qgc3:
undetectable
3d4sA-1qgc3:
15.37
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.
1vf1 GLUTATHIONE
S-TRANSFERASE 3


(Gallus gallus)
PF02798
(GST_N)
PF14497
(GST_C_3)
5 ASP A  93
VAL A  96
TRP A 155
ASN A  73
TYR A  82
None
0.83A 3d4sA-1vf1A:
undetectable
3d4sA-1vf1A:
17.85
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.
2bu2 PYRUVATE
DEHYDROGENSAE KINASE
ISOENZYME 2


(Homo sapiens)
PF02518
(HATPase_c)
PF10436
(BCDHK_Adom3)
5 TRP A  79
VAL A  73
PHE A 146
TYR A 151
TYR A  80
None
1.30A 3d4sA-2bu2A:
2.1
3d4sA-2bu2A:
20.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2rf7 CYTOCHROME C-552

(Escherichia
coli)
PF02335
(Cytochrom_C552)
5 TRP A 270
THR A 281
VAL A 208
PHE A 196
TYR A 267
HEC  A   4 (-4.1A)
None
None
None
None
1.47A 3d4sA-2rf7A:
undetectable
3d4sA-2rf7A:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3f5f MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HEPARAN SULFATE
2-O-SULFOTRANSFERASE
1


(Escherichia
coli;
Gallus gallus)
PF03567
(Sulfotransfer_2)
PF13416
(SBP_bac_8)
5 THR A1254
VAL A1162
VAL A1251
PHE A1221
TYR A1317
A3P  A 673 ( 4.8A)
None
None
None
None
1.43A 3d4sA-3f5fA:
undetectable
3d4sA-3f5fA:
21.50
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.
3feu PUTATIVE LIPOPROTEIN

(Aliivibrio
fischeri)
PF13462
(Thioredoxin_4)
5 THR A  24
VAL A  26
VAL A 150
SER A 145
TYR A  71
None
1.33A 3d4sA-3feuA:
undetectable
3d4sA-3feuA:
16.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3pbl D(3) DOPAMINE
RECEPTOR, LYSOZYME
CHIMERA


(Escherichia
virus T4;
Homo sapiens)
PF00001
(7tm_1)
PF00959
(Phage_lysozyme)
6 ASP A 110
VAL A 111
SER A 192
TRP A 342
PHE A 346
TYR A 373
ETQ  A1200 (-3.5A)
ETQ  A1200 (-3.4A)
ETQ  A1200 (-3.3A)
None
ETQ  A1200 ( 4.5A)
ETQ  A1200 (-4.4A)
0.71A 3d4sA-3pblA:
28.1
3d4sA-3pblA:
56.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3pbl D(3) DOPAMINE
RECEPTOR, LYSOZYME
CHIMERA


(Escherichia
virus T4;
Homo sapiens)
PF00001
(7tm_1)
PF00959
(Phage_lysozyme)
6 ASP A 110
VAL A 111
SER A 192
TRP A 342
TYR A 365
TYR A 373
ETQ  A1200 (-3.5A)
ETQ  A1200 (-3.4A)
ETQ  A1200 (-3.3A)
None
None
ETQ  A1200 (-4.4A)
1.03A 3d4sA-3pblA:
28.1
3d4sA-3pblA:
56.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3pds FUSION PROTEIN
BETA-2 ADRENERGIC
RECEPTOR/LYSOZYME


(Escherichia
virus T4;
Homo sapiens)
PF00001
(7tm_1)
PF00959
(Phage_lysozyme)
5 TRP A 109
ASP A 113
VAL A 117
SER A 204
TYR A 316
None
ERC  A1201 (-3.7A)
None
ERC  A1201 ( 4.1A)
None
1.30A 3d4sA-3pdsA:
47.2
3d4sA-3pdsA:
99.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3pds FUSION PROTEIN
BETA-2 ADRENERGIC
RECEPTOR/LYSOZYME


(Escherichia
virus T4;
Homo sapiens)
PF00001
(7tm_1)
PF00959
(Phage_lysozyme)
8 TRP A 109
THR A 110
ASP A 113
VAL A 114
SER A 207
TYR A 308
ASN A 312
TYR A 316
None
ERC  A1201 ( 4.6A)
ERC  A1201 (-3.7A)
ERC  A1201 (-3.8A)
ERC  A1201 (-2.7A)
None
ERC  A1201 (-3.0A)
None
1.20A 3d4sA-3pdsA:
47.2
3d4sA-3pdsA:
99.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3pds FUSION PROTEIN
BETA-2 ADRENERGIC
RECEPTOR/LYSOZYME


(Escherichia
virus T4;
Homo sapiens)
PF00001
(7tm_1)
PF00959
(Phage_lysozyme)
12 TRP A 109
THR A 110
ASP A 113
VAL A 114
VAL A 117
SER A 203
TRP A 286
PHE A 290
ASN A 293
TYR A 308
ASN A 312
TYR A 316
None
ERC  A1201 ( 4.6A)
ERC  A1201 (-3.7A)
ERC  A1201 (-3.8A)
None
ERC  A1201 (-2.8A)
None
ERC  A1201 (-4.8A)
ERC  A1201 (-3.5A)
None
ERC  A1201 (-3.0A)
None
0.68A 3d4sA-3pdsA:
47.2
3d4sA-3pdsA:
99.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3pds FUSION PROTEIN
BETA-2 ADRENERGIC
RECEPTOR/LYSOZYME


(Escherichia
virus T4;
Homo sapiens)
PF00001
(7tm_1)
PF00959
(Phage_lysozyme)
5 VAL A 114
ASN A 293
TYR A 308
ASN A 312
TYR A 316
ERC  A1201 (-3.8A)
ERC  A1201 (-3.5A)
None
ERC  A1201 (-3.0A)
None
1.41A 3d4sA-3pdsA:
47.2
3d4sA-3pdsA:
99.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3rze HISTAMINE H1
RECEPTOR, LYSOZYME
CHIMERA


(Escherichia
virus T4;
Homo sapiens)
PF00001
(7tm_1)
PF00959
(Phage_lysozyme)
5 TRP A 103
ASP A 107
TRP A 428
PHE A 432
TYR A 458
None
5EH  A1200 ( 2.6A)
5EH  A1200 ( 3.4A)
5EH  A1200 ( 4.3A)
5EH  A1200 ( 4.4A)
0.59A 3d4sA-3rzeA:
35.3
3d4sA-3rzeA:
53.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4gbr BETA-2 ADRENERGIC
RECEPTOR


(Homo sapiens)
PF00001
(7tm_1)
8 TRP A 109
THR A 110
ASP A 113
VAL A 114
SER A 207
PHE A 262
ASN A 284
TYR A 288
None
CAU  A 500 ( 4.0A)
CAU  A 500 (-3.0A)
CAU  A 500 (-3.5A)
CAU  A 500 (-4.1A)
CAU  A 500 (-4.6A)
CAU  A 500 (-3.3A)
CAU  A 500 (-4.6A)
1.17A 3d4sA-4gbrA:
41.2
3d4sA-4gbrA:
57.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4gbr BETA-2 ADRENERGIC
RECEPTOR


(Homo sapiens)
PF00001
(7tm_1)
12 TRP A 109
THR A 110
ASP A 113
VAL A 114
VAL A 117
SER A 203
TRP A 258
PHE A 262
ASN A 265
TYR A 280
ASN A 284
TYR A 288
None
CAU  A 500 ( 4.0A)
CAU  A 500 (-3.0A)
CAU  A 500 (-3.5A)
CAU  A 500 (-4.2A)
CAU  A 500 (-3.3A)
None
CAU  A 500 (-4.6A)
CAU  A 500 (-3.4A)
None
CAU  A 500 (-3.3A)
CAU  A 500 (-4.6A)
0.51A 3d4sA-4gbrA:
41.2
3d4sA-4gbrA:
57.68
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.
4gh4 CAPSID PROTEIN VP3

(Foot-and-mouth
disease virus)
PF00073
(Rhv)
5 THR C 112
VAL C 201
VAL C 202
PHE C  57
TYR C 121
None
1.24A 3d4sA-4gh4C:
undetectable
3d4sA-4gh4C:
19.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ib4 CHIMERA PROTEIN OF
HUMAN
5-HYDROXYTRYPTAMINE
RECEPTOR 2B AND E.
COLI SOLUBLE
CYTOCHROME B562


(Escherichia
coli;
Homo sapiens)
PF00001
(7tm_1)
PF07361
(Cytochrom_B562)
7 TRP A 131
ASP A 135
VAL A 136
TRP A 337
PHE A 341
ASN A 344
TYR A 370
None
ERM  A2001 (-3.2A)
ERM  A2001 (-3.8A)
None
None
ERM  A2001 (-4.3A)
ERM  A2001 ( 4.8A)
0.58A 3d4sA-4ib4A:
27.7
3d4sA-4ib4A:
31.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4lde LYSOZYME, BETA-2
ADRENERGIC RECEPTOR


(Escherichia
virus T4;
Homo sapiens)
PF00001
(7tm_1)
PF00959
(Phage_lysozyme)
11 TRP A1109
THR A1110
ASP A1113
VAL A1114
VAL A1117
SER A1203
TRP A1286
PHE A1290
TYR A1308
ASN A1312
TYR A1316
None
P0G  A1401 ( 3.9A)
P0G  A1401 (-2.9A)
P0G  A1401 (-3.7A)
P0G  A1401 ( 4.4A)
P0G  A1401 (-2.9A)
None
P0G  A1401 ( 4.9A)
None
P0G  A1401 (-2.9A)
None
0.76A 3d4sA-4ldeA:
34.2
3d4sA-4ldeA:
49.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4lde LYSOZYME, BETA-2
ADRENERGIC RECEPTOR


(Escherichia
virus T4;
Homo sapiens)
PF00001
(7tm_1)
PF00959
(Phage_lysozyme)
11 TRP A1109
THR A1110
ASP A1113
VAL A1114
VAL A1117
TRP A1286
PHE A1290
ASN A1293
TYR A1308
ASN A1312
TYR A1316
None
P0G  A1401 ( 3.9A)
P0G  A1401 (-2.9A)
P0G  A1401 (-3.7A)
P0G  A1401 ( 4.4A)
None
P0G  A1401 ( 4.9A)
P0G  A1401 (-3.0A)
None
P0G  A1401 (-2.9A)
None
0.58A 3d4sA-4ldeA:
34.2
3d4sA-4ldeA:
49.60
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.
4o8m TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT


(Actinobacillus
succinogenes)
PF03480
(DctP)
5 VAL A 196
SER A  68
ASN A  35
TYR A 147
ASN A 210
None
None
None
2Q2  A 403 (-4.1A)
2Q2  A 403 (-2.8A)
1.23A 3d4sA-4o8mA:
undetectable
3d4sA-4o8mA:
21.29
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.
4q20 SENSOR PROTEIN DIVL

(Caulobacter
vibrioides)
PF00512
(HisKA)
PF02518
(HATPase_c)
5 THR A 672
ASP A 695
VAL A 678
VAL A 693
ASN A 667
None
1.42A 3d4sA-4q20A:
undetectable
3d4sA-4q20A:
19.67
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.
4w78 HYDRATASE CHSH2

(Mycobacterium
tuberculosis)
no annotation 5 THR B  56
ASP B  55
VAL B  50
TRP B  84
PHE B  19
None
1.36A 3d4sA-4w78B:
undetectable
3d4sA-4w78B:
14.01
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5f8u BETA-1 ADRENERGIC
RECEPTOR


(Meleagris
gallopavo)
no annotation 8 TRP B 117
THR B 118
ASP B 121
VAL B 122
SER B 215
PHE B 307
ASN B 329
TYR B 333
P32  B 400 (-4.8A)
P32  B 400 (-3.8A)
P32  B 400 (-2.2A)
P32  B 400 (-3.5A)
P32  B 400 ( 4.2A)
P32  B 400 (-4.9A)
P32  B 400 (-2.9A)
P32  B 400 (-4.6A)
1.25A 3d4sA-5f8uB:
39.7
3d4sA-5f8uB:
41.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5f8u BETA-1 ADRENERGIC
RECEPTOR


(Meleagris
gallopavo)
no annotation 11 TRP B 117
THR B 118
ASP B 121
VAL B 122
VAL B 125
SER B 211
TRP B 303
PHE B 307
ASN B 310
ASN B 329
TYR B 333
P32  B 400 (-4.8A)
P32  B 400 (-3.8A)
P32  B 400 (-2.2A)
P32  B 400 (-3.5A)
P32  B 400 ( 4.7A)
P32  B 400 (-2.7A)
None
P32  B 400 (-4.9A)
P32  B 400 (-3.5A)
P32  B 400 (-2.9A)
P32  B 400 (-4.6A)
0.56A 3d4sA-5f8uB:
39.7
3d4sA-5f8uB:
41.74
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.
5gam PRE-MRNA-SPLICING
FACTOR 8


(Saccharomyces
cerevisiae)
PF08082
(PRO8NT)
PF08083
(PROCN)
5 VAL A 633
VAL A 637
PHE A 242
ASN A 596
TYR A 251
None
1.49A 3d4sA-5gamA:
undetectable
3d4sA-5gamA:
20.66
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.
5h05 AMYP

(marine
metagenome)
PF00128
(Alpha-amylase)
5 TRP A  64
THR A  66
ASP A 124
VAL A 126
SER A  71
None
1.32A 3d4sA-5h05A:
undetectable
3d4sA-5h05A:
22.05
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.
5h1q INNEXIN-6

(Caenorhabditis
elegans)
PF00876
(Innexin)
5 THR A 268
VAL A 266
VAL A 246
ASN A  73
TYR A 105
None
1.45A 3d4sA-5h1qA:
3.9
3d4sA-5h1qA:
22.05
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.
5net O1 MANISA VP3

(Foot-and-mouth
disease virus)
PF00073
(Rhv)
5 THR 3 112
VAL 3 200
VAL 3 201
PHE 3  57
TYR 3 121
None
1.37A 3d4sA-5net3:
undetectable
3d4sA-5net3:
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.
5v54 5-HYDROXYTRYPTAMINE
RECEPTOR 1B,OB-1
FUSED 5-HT1B
RECEPTOR,5-HYDROXYTR
YPTAMINE RECEPTOR 1B


(Homo sapiens;
Spodoptera
frugiperda)
no annotation 6 TRP A 125
ASP A 129
SER A 212
TRP A 327
PHE A 331
TYR A 359
None
89F  A1201 (-3.3A)
89F  A1201 ( 3.8A)
89F  A1201 (-3.6A)
89F  A1201 (-4.6A)
None
0.78A 3d4sA-5v54A:
28.0
3d4sA-5v54A:
11.61
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.
5whs CATALASE-PEROXIDASE

(Neurospora
crassa)
no annotation 5 THR A 388
ASP A 389
VAL A 328
SER A 324
TYR A 341
HEM  A 800 ( 4.0A)
None
None
HEM  A 800 (-2.9A)
None
1.32A 3d4sA-5whsA:
undetectable
3d4sA-5whsA:
10.62
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.
5wiv D(4) DOPAMINE
RECEPTOR, SOLUBLE
CYTOCHROME B562
CHIMERA


(Escherichia
coli;
Homo sapiens)
no annotation 6 ASP A 115
VAL A 116
SER A 196
TRP A 407
PHE A 411
TYR A 438
AQD  A1201 (-3.3A)
AQD  A1201 ( 3.9A)
AQD  A1201 (-2.8A)
None
AQD  A1201 (-4.6A)
None
0.74A 3d4sA-5wivA:
30.4
3d4sA-5wivA:
27.63
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.
5yjh PERIOSTIN

(Homo sapiens)
no annotation 5 THR A 270
VAL A 357
VAL A 352
TYR A 199
ASN A 197
None
None
None
None
MG  A 728 (-3.6A)
1.27A 3d4sA-5yjhA:
undetectable
3d4sA-5yjhA:
9.66
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.
6bqh 5-HYDROXYTRYPTAMINE
RECEPTOR 2C,SOLUBLE
CYTOCHROME B562


(Escherichia
coli;
Homo sapiens)
no annotation 5 TRP A 130
ASP A 134
SER A 219
ASN A 331
TYR A 358
None
E2J  A1201 (-3.0A)
E2J  A1201 (-3.2A)
None
None
1.32A 3d4sA-6bqhA:
30.8
3d4sA-6bqhA:
9.84
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.
6bqh 5-HYDROXYTRYPTAMINE
RECEPTOR 2C,SOLUBLE
CYTOCHROME B562


(Escherichia
coli;
Homo sapiens)
no annotation 6 TRP A 130
ASP A 134
TRP A 324
PHE A 328
ASN A 331
TYR A 358
None
E2J  A1201 (-3.0A)
E2J  A1201 ( 3.7A)
E2J  A1201 (-4.4A)
None
None
0.57A 3d4sA-6bqhA:
30.8
3d4sA-6bqhA:
9.84
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.
6bqh 5-HYDROXYTRYPTAMINE
RECEPTOR 2C,SOLUBLE
CYTOCHROME B562


(Escherichia
coli;
Homo sapiens)
no annotation 6 TRP A 130
ASP A 134
VAL A 135
TRP A 324
PHE A 328
TYR A 358
None
E2J  A1201 (-3.0A)
E2J  A1201 (-3.8A)
E2J  A1201 ( 3.7A)
E2J  A1201 (-4.4A)
None
0.73A 3d4sA-6bqhA:
30.8
3d4sA-6bqhA:
9.84
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.
6cm4 D(2) DOPAMINE
RECEPTOR, ENDOLYSIN
CHIMERA


(Escherichia
virus T4;
Homo sapiens)
no annotation 5 ASP A 114
VAL A 115
TRP A 386
PHE A 390
TYR A 416
8NU  A2001 ( 3.0A)
8NU  A2001 ( 3.5A)
8NU  A2001 ( 3.8A)
8NU  A2001 ( 4.8A)
8NU  A2001 ( 4.9A)
0.61A 3d4sA-6cm4A:
35.5
3d4sA-6cm4A:
11.24
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.
6g79 5-HYDROXYTRYPTAMINE
RECEPTOR 1B


(Homo sapiens)
no annotation 6 TRP S 125
ASP S 129
SER S 212
TRP S 327
PHE S 331
TYR S 359
None
EP5  S 401 (-3.3A)
EP5  S 401 (-3.3A)
None
EP5  S 401 (-4.7A)
EP5  S 401 ( 4.9A)
0.58A 3d4sA-6g79S:
27.9
3d4sA-6g79S:
9.93
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.
1bs9 ACETYL XYLAN
ESTERASE


(Talaromyces
purpureogenus)
PF01083
(Cutinase)
3 THR A 186
SER A 174
PHE A 136
SO4  A 208 ( 4.2A)
SO4  A 208 (-2.5A)
None
0.88A 3d4sA-1bs9A:
undetectable
3d4sA-1bs9A:
16.84
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.
1f8f BENZYL ALCOHOL
DEHYDROGENASE


(Acinetobacter
calcoaceticus)
PF00107
(ADH_zinc_N)
PF08240
(ADH_N)
3 THR A  41
SER A 144
PHE A  19
None
0.88A 3d4sA-1f8fA:
undetectable
3d4sA-1f8fA:
22.72
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.
1ggp PROTEIN (LECTIN 1 A
CHAIN)


(Trichosanthes
kirilowii)
PF00161
(RIP)
3 THR A  53
SER A  65
PHE A  86
None
0.90A 3d4sA-1ggpA:
0.0
3d4sA-1ggpA:
18.81
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.
1kqf FORMATE
DEHYDROGENASE,
NITRATE-INDUCIBLE,
MAJOR SUBUNIT


(Escherichia
coli)
PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4)
3 THR A 550
SER A 160
PHE A 553
None
0.70A 3d4sA-1kqfA:
0.0
3d4sA-1kqfA:
19.31
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.
1kwm PROCARBOXYPEPTIDASE
B


(Homo sapiens)
PF00246
(Peptidase_M14)
PF02244
(Propep_M14)
3 THR A  32
SER A  31
PHE A  54
None
0.87A 3d4sA-1kwmA:
undetectable
3d4sA-1kwmA:
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.
1mkm ICLR TRANSCRIPTIONAL
REGULATOR


(Thermotoga
maritima)
PF01614
(IclR)
PF09339
(HTH_IclR)
3 THR A 133
SER A 135
PHE A 221
ZN  A 402 (-4.1A)
None
None
0.72A 3d4sA-1mkmA:
undetectable
3d4sA-1mkmA:
21.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1n1a FKBP52

(Homo sapiens)
PF00254
(FKBP_C)
3 THR A  58
SER A  69
PHE A 135
None
0.70A 3d4sA-1n1aA:
undetectable
3d4sA-1n1aA:
14.58
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.
1o99 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE


(Geobacillus
stearothermophilus)
PF01676
(Metalloenzyme)
PF06415
(iPGM_N)
3 THR A 301
SER A 299
PHE A 292
None
SO4  A 901 (-2.6A)
None
0.90A 3d4sA-1o99A:
undetectable
3d4sA-1o99A:
23.39
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.
1p43 ENOLASE 1

(Saccharomyces
cerevisiae)
PF00113
(Enolase_C)
PF03952
(Enolase_N)
3 THR A 325
SER A 355
PHE A 363
None
0.89A 3d4sA-1p43A:
0.0
3d4sA-1p43A:
21.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1poi GLUTACONATE COENZYME
A-TRANSFERASE


(Acidaminococcus
fermentans)
PF01144
(CoA_trans)
3 THR A  27
SER A  78
PHE A  87
None
0.69A 3d4sA-1poiA:
undetectable
3d4sA-1poiA:
21.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qrp PEPSIN 3A

(Homo sapiens)
PF00026
(Asp)
3 THR E 198
SER E 196
PHE E 305
None
0.85A 3d4sA-1qrpE:
undetectable
3d4sA-1qrpE:
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.
1qs8 PLASMEPSIN

(Plasmodium
vivax)
PF00026
(Asp)
3 THR A  92
SER A  97
PHE A 102
None
0.78A 3d4sA-1qs8A:
undetectable
3d4sA-1qs8A:
21.06
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.
1rxt GLYCYLPEPTIDE
N-TETRADECANOYLTRANS
FERASE 1


(Homo sapiens)
PF01233
(NMT)
PF02799
(NMT_C)
3 THR A 313
SER A 328
PHE A 393
None
0.80A 3d4sA-1rxtA:
undetectable
3d4sA-1rxtA:
19.86
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.
1sqh HYPOTHETICAL PROTEIN
CG14615-PA


(Drosophila
melanogaster)
PF08445
(FR47)
3 THR A 125
SER A  92
PHE A  68
None
0.88A 3d4sA-1sqhA:
undetectable
3d4sA-1sqhA:
23.86
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.
1v7v CHITOBIOSE
PHOSPHORYLASE


(Vibrio
proteolyticus)
PF06165
(Glyco_transf_36)
PF17167
(Glyco_hydro_36)
3 THR A  56
SER A  45
PHE A 337
None
0.79A 3d4sA-1v7vA:
undetectable
3d4sA-1v7vA:
20.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vef ACETYLORNITHINE/ACET
YL-LYSINE
AMINOTRANSFERASE


(Thermus
thermophilus)
PF00202
(Aminotran_3)
3 THR A 114
SER A 112
PHE A 108
PLP  A 513 (-3.8A)
PLP  A 513 ( 4.0A)
None
0.90A 3d4sA-1vefA:
undetectable
3d4sA-1vefA:
21.02
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.
1wf7 ENIGMA HOMOLOGUE
PROTEIN


(Mus musculus)
PF00595
(PDZ)
3 THR A  83
SER A   8
PHE A  19
None
0.79A 3d4sA-1wf7A:
undetectable
3d4sA-1wf7A:
13.71
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.
1x1g PLECKSTRIN 2

(Homo sapiens)
PF00169
(PH)
3 THR A  96
SER A  69
PHE A  92
None
0.88A 3d4sA-1x1gA:
undetectable
3d4sA-1x1gA:
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.
1x7p RRNA
METHYLTRANSFERASE


(Streptomyces
viridochromogenes)
PF00588
(SpoU_methylase)
3 THR A 268
SER A 146
PHE A 131
None
0.61A 3d4sA-1x7pA:
undetectable
3d4sA-1x7pA:
19.26
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.
1xn5 BH1534 UNKNOWN
CONSERVED PROTEIN


(Bacillus
halodurans)
PF08327
(AHSA1)
3 THR A  81
SER A  70
PHE A  34
None
0.90A 3d4sA-1xn5A:
undetectable
3d4sA-1xn5A:
13.27
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.
1y4j SULFATASE MODIFYING
FACTOR 2


(Homo sapiens)
PF03781
(FGE-sulfatase)
3 THR A 238
SER A 240
PHE A  62
None
0.89A 3d4sA-1y4jA:
undetectable
3d4sA-1y4jA:
22.24
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.
2a4m TRYPTOPHANYL-TRNA
SYNTHETASE II


(Deinococcus
radiodurans)
PF00579
(tRNA-synt_1b)
3 THR A 112
SER A 153
PHE A 161
None
0.50A 3d4sA-2a4mA:
undetectable
3d4sA-2a4mA:
22.13
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.
2bmo OXYGENASE-ALPHA NBDO

(Comamonas sp.
JS765)
PF00355
(Rieske)
PF00848
(Ring_hydroxyl_A)
3 THR A 297
SER A 303
PHE A 293
None
0.87A 3d4sA-2bmoA:
undetectable
3d4sA-2bmoA:
22.88
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.
2crw ADP-RIBOSYLATION
FACTOR
GTPASE-ACTIVATING
PROTEIN 3


(Homo sapiens)
PF01412
(ArfGap)
3 THR A  46
SER A  67
PHE A  33
None
0.77A 3d4sA-2crwA:
undetectable
3d4sA-2crwA:
16.03
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.
2ebm RWD
DOMAIN-CONTAINING
PROTEIN 1


(Homo sapiens)
PF05773
(RWD)
3 THR A  62
SER A  39
PHE A  77
None
0.90A 3d4sA-2ebmA:
undetectable
3d4sA-2ebmA:
13.97
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.
2gb3 ASPARTATE
AMINOTRANSFERASE


(Thermotoga
maritima)
PF00155
(Aminotran_1_2)
3 THR A  45
SER A 235
PHE A 286
None
0.83A 3d4sA-2gb3A:
undetectable
3d4sA-2gb3A:
21.83
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.
2gdj DNA REPAIR AND
RECOMBINATION
PROTEIN RADA


(Methanococcus
voltae)
PF08423
(Rad51)
3 THR A 283
SER A  99
PHE A 103
None
MG  A 502 ( 4.7A)
None
0.68A 3d4sA-2gdjA:
undetectable
3d4sA-2gdjA:
20.53
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.
2i02 GENERAL STRESS
PROTEIN OF COG3871


(Nostoc
punctiforme)
PF16242
(Pyrid_ox_like)
3 THR A  27
SER A  37
PHE A  54
None
0.76A 3d4sA-2i02A:
undetectable
3d4sA-2i02A:
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.
2i1y RECEPTOR-TYPE
TYROSINE-PROTEIN
PHOSPHATASE


(Homo sapiens)
PF00102
(Y_phosphatase)
3 THR A 884
SER A 883
PHE A 849
None
0.90A 3d4sA-2i1yA:
undetectable
3d4sA-2i1yA:
20.29
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.
2ify 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE


(Bacillus
anthracis)
PF01676
(Metalloenzyme)
PF06415
(iPGM_N)
3 THR A 300
SER A 298
PHE A 291
None
0.75A 3d4sA-2ifyA:
undetectable
3d4sA-2ifyA:
22.63
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.
2kbo DNA DC->DU-EDITING
ENZYME APOBEC-3G


(Homo sapiens)
PF08210
(APOBEC_N)
3 THR A 121
SER A  96
PHE A  72
None
0.72A 3d4sA-2kboA:
undetectable
3d4sA-2kboA:
16.78
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.
2qza SECRETED EFFECTOR
PROTEIN


(Salmonella
enterica)
PF13599
(Pentapeptide_4)
PF13979
(SopA_C)
PF13981
(SopA)
3 THR A 541
SER A 535
PHE A 565
None
0.66A 3d4sA-2qzaA:
2.8
3d4sA-2qzaA:
21.45
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.
2vdc GLUTAMATE SYNTHASE
[NADPH] LARGE CHAIN


(Azospirillum
brasilense)
PF00310
(GATase_2)
PF01493
(GXGXG)
PF01645
(Glu_synthase)
PF04898
(Glu_syn_central)
3 THR A1036
SER A1037
PHE A 725
None
0.90A 3d4sA-2vdcA:
undetectable
3d4sA-2vdcA:
15.65
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.
3a0r SENSOR PROTEIN

(Thermotoga
maritima)
PF00512
(HisKA)
PF00989
(PAS)
PF02518
(HATPase_c)
3 THR A 637
SER A 676
PHE A 633
None
0.81A 3d4sA-3a0rA:
undetectable
3d4sA-3a0rA:
21.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bk5 PUTATIVE OUTER
MEMBRANE
LIPOPROTEIN-SORTING
PROTEIN


(Vibrio
parahaemolyticus)
PF17131
(LolA_like)
3 THR A 209
SER A 106
PHE A 169
None
0.55A 3d4sA-3bk5A:
undetectable
3d4sA-3bk5A:
17.71
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.
3dyt SORTING NEXIN-9

(Homo sapiens)
PF00787
(PX)
PF10456
(BAR_3_WASP_bdg)
3 THR A 275
SER A 282
PHE A 353
None
0.88A 3d4sA-3dytA:
3.0
3d4sA-3dytA:
19.68
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.
3etl DNA REPAIR AND
RECOMBINATION
PROTEIN RADA


(Methanococcus
maripaludis)
PF08423
(Rad51)
PF14520
(HHH_5)
3 THR A 283
SER A  99
PHE A 103
None
MG  A 502 ( 4.1A)
None
0.77A 3d4sA-3etlA:
undetectable
3d4sA-3etlA:
21.47
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.
3ffr PHOSPHOSERINE
AMINOTRANSFERASE
SERC


(Cytophaga
hutchinsonii)
PF00266
(Aminotran_5)
3 THR A 136
SER A  94
PHE A  86
None
0.68A 3d4sA-3ffrA:
undetectable
3d4sA-3ffrA:
21.56
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.
3fnc PUTATIVE
ACETYLTRANSFERASE


(Listeria
innocua)
PF13673
(Acetyltransf_10)
3 THR A  27
SER A  23
PHE A  40
None
None
MLI  A 161 (-4.8A)
0.67A 3d4sA-3fncA:
undetectable
3d4sA-3fncA:
16.27
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.
3g5t TRANS-ACONITATE
3-METHYLTRANSFERASE


(Saccharomyces
cerevisiae)
PF13847
(Methyltransf_31)
3 THR A  87
SER A  84
PHE A  93
None
0.76A 3d4sA-3g5tA:
undetectable
3d4sA-3g5tA:
20.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3go1 FAB 268-D, LIGHT
CHAIN


(Homo sapiens)
PF07654
(C1-set)
PF07686
(V-set)
3 THR L 114
SER L 137
PHE L 118
None
0.81A 3d4sA-3go1L:
undetectable
3d4sA-3go1L:
16.26
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.
3grf ORNITHINE
CARBAMOYLTRANSFERASE


(Giardia
intestinalis)
PF00185
(OTCace)
PF02729
(OTCace_N)
3 THR A  11
SER A  13
PHE A 141
None
0.74A 3d4sA-3grfA:
undetectable
3d4sA-3grfA:
19.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3h0g DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB2


(Schizosaccharomyces
pombe)
PF00562
(RNA_pol_Rpb2_6)
PF04560
(RNA_pol_Rpb2_7)
PF04561
(RNA_pol_Rpb2_2)
PF04563
(RNA_pol_Rpb2_1)
PF04565
(RNA_pol_Rpb2_3)
PF04566
(RNA_pol_Rpb2_4)
PF04567
(RNA_pol_Rpb2_5)
3 THR B 795
SER B 797
PHE B1036
None
0.83A 3d4sA-3h0gB:
undetectable
3d4sA-3h0gB:
16.78
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.
3hhs PHENOLOXIDASE
SUBUNIT 1


(Manduca sexta)
PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C)
3 THR B 500
SER B 607
PHE B 504
None
0.83A 3d4sA-3hhsB:
undetectable
3d4sA-3hhsB:
22.48
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.
3isr TRANSGLUTAMINASE-LIK
E ENZYMES, PUTATIVE
CYSTEINE PROTEASE


(Cytophaga
hutchinsonii)
PF01841
(Transglut_core)
3 THR A  55
SER A  53
PHE A  49
None
0.62A 3d4sA-3isrA:
undetectable
3d4sA-3isrA:
21.49
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.
3nbu GLUCOSE-6-PHOSPHATE
ISOMERASE


(Escherichia
coli)
PF00342
(PGI)
3 THR A 306
SER A 305
PHE A  45
None
0.78A 3d4sA-3nbuA:
undetectable
3d4sA-3nbuA:
23.23
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.
3nns DNA BINDING RESPONSE
REGULATOR B


(Thermotoga
maritima)
PF00072
(Response_reg)
3 THR A  99
SER A  81
PHE A  90
None
0.84A 3d4sA-3nnsA:
undetectable
3d4sA-3nnsA:
13.63
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.
3ntu DNA REPAIR AND
RECOMBINATION
PROTEIN RADA


(Methanococcus
voltae)
PF08423
(Rad51)
PF14520
(HHH_5)
3 THR A 283
SER A  99
PHE A 103
None
MG  A 502 ( 4.1A)
None
0.79A 3d4sA-3ntuA:
undetectable
3d4sA-3ntuA:
22.97
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.
3o4r DEHYDROGENASE/REDUCT
ASE SDR FAMILY
MEMBER 4


(Homo sapiens)
PF13561
(adh_short_C2)
3 THR A  38
SER A 115
PHE A 219
None
None
NAP  A 601 (-4.1A)
0.88A 3d4sA-3o4rA:
undetectable
3d4sA-3o4rA:
19.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3pbl D(3) DOPAMINE
RECEPTOR, LYSOZYME
CHIMERA


(Escherichia
virus T4;
Homo sapiens)
PF00001
(7tm_1)
PF00959
(Phage_lysozyme)
3 THR A 115
SER A 196
PHE A 345
None
ETQ  A1200 ( 4.6A)
ETQ  A1200 (-4.4A)
0.75A 3d4sA-3pblA:
37.7
3d4sA-3pblA:
56.31
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.
3phf ENVELOPE
GLYCOPROTEIN H


(Human
gammaherpesvirus
4)
no annotation 3 THR A 181
SER A 195
PHE A 177
None
0.89A 3d4sA-3phfA:
undetectable
3d4sA-3phfA:
22.65
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.
3pkj NAD-DEPENDENT
DEACETYLASE
SIRTUIN-6


(Homo sapiens)
PF02146
(SIR2)
3 THR A  49
SER A 110
PHE A  62
None
None
A2N  A1000 (-3.8A)
0.87A 3d4sA-3pkjA:
undetectable
3d4sA-3pkjA:
18.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rao PUTATIVE
LUCIFERASE-LIKE
MONOOXYGENASE


(Bacillus cereus)
PF00296
(Bac_luciferase)
3 THR A  43
SER A  42
PHE A 333
None
0.89A 3d4sA-3raoA:
undetectable
3d4sA-3raoA:
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.
3s4d LACTOSE
PHOSPHORYLASE


(Cellulomonas
uda)
PF06165
(Glyco_transf_36)
PF17167
(Glyco_hydro_36)
3 THR A  56
SER A  45
PHE A 355
None
0.86A 3d4sA-3s4dA:
undetectable
3d4sA-3s4dA:
20.45
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.
3urh DIHYDROLIPOYL
DEHYDROGENASE


(Sinorhizobium
meliloti)
PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2)
3 THR A 449
SER A 451
PHE A 418
None
0.77A 3d4sA-3urhA:
undetectable
3d4sA-3urhA:
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.
3zd2 COMPLEMENT FACTOR
H-RELATED PROTEIN 1


(Homo sapiens)
PF00084
(Sushi)
3 THR A 118
SER A 117
PHE A  71
None
0.88A 3d4sA-3zd2A:
undetectable
3d4sA-3zd2A:
13.75
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.
3zg6 NAD-DEPENDENT
PROTEIN DEACETYLASE
SIRTUIN-6


(Homo sapiens)
PF02146
(SIR2)
3 THR A  49
SER A 110
PHE A  62
None
None
APR  A1296 (-3.6A)
0.88A 3d4sA-3zg6A:
undetectable
3d4sA-3zg6A:
19.88
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.
4b56 ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 1


(Mus musculus)
PF01033
(Somatomedin_B)
PF01223
(Endonuclease_NS)
PF01663
(Phosphodiest)
3 THR A 817
SER A 834
PHE A 813
None
0.84A 3d4sA-4b56A:
undetectable
3d4sA-4b56A:
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.
4cdg NANOBODY

(Lama glama)
PF07686
(V-set)
3 THR C  74
SER C  75
PHE C 127
None
0.80A 3d4sA-4cdgC:
undetectable
3d4sA-4cdgC:
16.29
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.
4cgn GLYCYLPEPTIDE
N-TETRADECANOYLTRANS
FERASE


(Leishmania
major)
PF01233
(NMT)
PF02799
(NMT_C)
3 THR A 310
SER A 324
PHE A 372
None
0.74A 3d4sA-4cgnA:
undetectable
3d4sA-4cgnA:
21.68
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.
4ckb MRNA-CAPPING ENZYME
CATALYTIC SUBUNIT


(Vaccinia virus)
PF03291
(Pox_MCEL)
PF10640
(Pox_ATPase-GT)
3 THR A  13
SER A   9
PHE A 220
None
0.60A 3d4sA-4ckbA:
undetectable
3d4sA-4ckbA:
20.35
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.
4ft6 PROBABLE PORIN

(Pseudomonas
aeruginosa)
PF03573
(OprD)
3 THR A 254
SER A 259
PHE A 250
None
0.71A 3d4sA-4ft6A:
undetectable
3d4sA-4ft6A:
20.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4gbr BETA-2 ADRENERGIC
RECEPTOR


(Homo sapiens)
PF00001
(7tm_1)
3 THR A 118
SER A 207
PHE A 261
CAU  A 500 ( 4.7A)
CAU  A 500 (-4.1A)
CAU  A 500 (-4.2A)
0.15A 3d4sA-4gbrA:
41.2
3d4sA-4gbrA:
57.68
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.
4gnx PUTATIVE
UNCHARACTERIZED
PROTEIN


(Ustilago maydis)
PF08661
(Rep_fac-A_3)
3 THR A  39
SER A  40
PHE A  82
None
0.74A 3d4sA-4gnxA:
undetectable
3d4sA-4gnxA:
12.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jg5 PUTATIVE CELL
ADHESION PROTEIN


(Parabacteroides
distasonis)
PF06321
(P_gingi_FimA)
3 THR A 233
SER A 222
PHE A 128
None
0.82A 3d4sA-4jg5A:
undetectable
3d4sA-4jg5A:
19.68
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.
4law PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4


(Homo sapiens)
PF00254
(FKBP_C)
3 THR A  58
SER A  69
PHE A 135
None
0.80A 3d4sA-4lawA:
undetectable
3d4sA-4lawA:
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.
4m00 SERINE-RICH ADHESIN
FOR PLATELETS


(Staphylococcus
aureus)
PF05345
(He_PIG)
3 THR A 412
SER A 411
PHE A 395
None
0.87A 3d4sA-4m00A:
undetectable
3d4sA-4m00A:
20.50
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.
4m5b COBALAMIN
BIOSYNTHESIS PROTEIN
CBIM


(Caldanaerobacter
subterraneus)
PF01891
(CbiM)
3 THR A  88
SER A 110
PHE A 119
HEZ  A 309 ( 4.2A)
None
None
0.87A 3d4sA-4m5bA:
undetectable
3d4sA-4m5bA:
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.
4q34 UNCHARACTERIZED
PROTEIN


(Parabacteroides
distasonis)
PF12697
(Abhydrolase_6)
3 THR A 192
SER A 215
PHE A 317
None
0.80A 3d4sA-4q34A:
undetectable
3d4sA-4q34A:
20.29
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.
4qci ANTI-PDGF-BB
ANTIBODY - LIGHT
CHAIN


(Homo sapiens)
PF07654
(C1-set)
PF07686
(V-set)
3 THR A 112
SER A 135
PHE A 116
None
0.70A 3d4sA-4qciA:
undetectable
3d4sA-4qciA:
18.12
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.
4r2f EXTRACELLULAR
SOLUTE-BINDING
PROTEIN FAMILY 1


(Pseudarthrobacter
chlorophenolicus)
PF01547
(SBP_bac_1)
3 THR A 109
SER A 107
PHE A 124
None
0.54A 3d4sA-4r2fA:
undetectable
3d4sA-4r2fA:
21.11
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.
4woe TAUROCYAMINE KINASE

(Schistosoma
mansoni)
PF00217
(ATP-gua_Ptrans)
PF02807
(ATP-gua_PtransN)
3 THR A 577
SER A 575
PHE A 571
None
0.73A 3d4sA-4woeA:
undetectable
3d4sA-4woeA:
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.
4y18 BREAST CANCER TYPE 1
SUSCEPTIBILITY
PROTEIN


(Homo sapiens)
PF00533
(BRCT)
3 THR A1675
SER A1651
PHE A1662
None
0.78A 3d4sA-4y18A:
undetectable
3d4sA-4y18A:
18.34
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.
4ydj LIGHT CHAIN OF
ANTIBODY 44-VRC13.01


(Homo sapiens)
no annotation 3 THR L 114
SER L 137
PHE L 118
None
0.81A 3d4sA-4ydjL:
undetectable
3d4sA-4ydjL:
17.41
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.
4yo0 LIGHT CHAIN OF
ANTIGEN BINDING
FRAGMENT, FAB


(Rattus
norvegicus)
PF07654
(C1-set)
PF07686
(V-set)
3 THR B 136
SER B 159
PHE B 140
None
0.86A 3d4sA-4yo0B:
undetectable
3d4sA-4yo0B:
17.45
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.
5cxo EPOXIDE HYDROLASE

(Streptomyces
albus)
PF12680
(SnoaL_2)
3 THR A 107
SER A  78
PHE A 120
None
0.87A 3d4sA-5cxoA:
undetectable
3d4sA-5cxoA:
16.18
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.
5cya TUBULIN-SPECIFIC
CHAPERONE C


(Saccharomyces
cerevisiae)
no annotation 3 THR A 160
SER A 138
PHE A 164
None
0.67A 3d4sA-5cyaA:
undetectable
3d4sA-5cyaA:
21.38
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.
5elp NRPS/PKS PROTEIN

(Bacillus
amyloliquefaciens)
no annotation 3 THR C 429
SER C 421
PHE C 433
None
0.76A 3d4sA-5elpC:
undetectable
3d4sA-5elpC:
21.55
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.
5eor ANTI VACCINIA VIRUS
A27 ANTIBODY 8E3
LIGHT CHAIN


(Mus musculus)
PF07654
(C1-set)
PF07686
(V-set)
3 THR L 124
SER L 147
PHE L 128
None
0.77A 3d4sA-5eorL:
undetectable
3d4sA-5eorL:
17.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5er7 GAP JUNCTION BETA-2
PROTEIN


(Homo sapiens)
no annotation 3 THR B 189
SER B 162
PHE B  69
None
0.67A 3d4sA-5er7B:
2.1
3d4sA-5er7B:
20.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5f89 CAP248-2B LIGHT
CHAIN


(Homo sapiens)
no annotation 3 THR L 115
SER L 138
PHE L 119
None
0.80A 3d4sA-5f89L:
undetectable
3d4sA-5f89L:
18.05
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.
5f8p ALPHA-KETOGLUTARATE-
DEPENDENT
DIOXYGENASE FTO


(Homo sapiens)
PF12933
(FTO_NTD)
PF12934
(FTO_CTD)
3 THR A 202
SER A 319
PHE A 296
None
0.85A 3d4sA-5f8pA:
undetectable
3d4sA-5f8pA:
21.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5f8u BETA-1 ADRENERGIC
RECEPTOR


(Meleagris
gallopavo)
no annotation 3 THR B 126
SER B 215
PHE B 306
None
P32  B 400 ( 4.2A)
P32  B 400 (-4.1A)
0.36A 3d4sA-5f8uB:
39.7
3d4sA-5f8uB:
41.74
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.
5fus PUTATIVE ENOYL COA
HYDRATASE


(Burkholderia
cenocepacia)
PF00378
(ECH_1)
3 THR A 188
SER A 184
PHE A 137
None
0.78A 3d4sA-5fusA:
undetectable
3d4sA-5fusA:
20.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ggg PROTEIN
O-LINKED-MANNOSE
BETA-1,2-N-ACETYLGLU
COSAMINYLTRANSFERASE
1


(Homo sapiens)
PF03071
(GNT-I)
PF15711
(ILEI)
3 THR A 285
SER A 277
PHE A 268
None
0.82A 3d4sA-5gggA:
undetectable
3d4sA-5gggA:
22.02
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.
5ltq GREEN FLUORESCENT
PROTEIN BLFP-Y3


(Branchiostoma
lanceolatum)
PF01353
(GFP)
3 THR A 173
SER A 153
PHE A 177
CL  A 301 ( 4.0A)
CL  A 301 (-2.8A)
None
0.80A 3d4sA-5ltqA:
undetectable
3d4sA-5ltqA:
16.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mwc GENETICALLY-ENCODED
GREEN CALCIUM
INDICATOR NTNC


(synthetic
construct)
no annotation 3 THR D 258
SER D 238
PHE D 262
None
0.85A 3d4sA-5mwcD:
undetectable
3d4sA-5mwcD:
10.23
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.
5neu INTEGRIN ALPHA-V

(Homo sapiens)
PF01839
(FG-GAP)
PF08441
(Integrin_alpha2)
3 THR A  64
SER A  63
PHE A  35
None
0.79A 3d4sA-5neuA:
undetectable
3d4sA-5neuA:
22.31
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.
5ocr KAPPA-CARRAGEENASE

(Zobellia
galactanivorans)
no annotation 3 THR A  92
SER A 295
PHE A 112
None
0.80A 3d4sA-5ocrA:
undetectable
3d4sA-5ocrA:
19.02
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.
5szs SPIKE GLYCOPROTEIN

(Human
coronavirus
NL63)
PF01600
(Corona_S1)
PF01601
(Corona_S2)
3 THR A 669
SER A 668
PHE A 664
NAG  A1442 ( 4.7A)
NAG  A1442 ( 3.4A)
None
0.90A 3d4sA-5szsA:
undetectable
3d4sA-5szsA:
16.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5t4z ANTIBODY DH501 FAB
LIGHT CHAIN


(Macaca mulatta)
no annotation 3 THR L 114
SER L 137
PHE L 118
None
0.77A 3d4sA-5t4zL:
undetectable
3d4sA-5t4zL:
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.
5tnx ALCOHOL
DEHYDROGENASE
ZINC-BINDING DOMAIN
PROTEIN


(Burkholderia
ambifaria)
PF00107
(ADH_zinc_N)
PF08240
(ADH_N)
3 THR A  44
SER A 147
PHE A  22
None
0.75A 3d4sA-5tnxA:
undetectable
3d4sA-5tnxA:
22.52
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.
5tw7 GMP SYNTHASE
[GLUTAMINE-HYDROLYZI
NG]


(Neisseria
gonorrhoeae)
PF00117
(GATase)
PF00958
(GMP_synt_C)
PF02540
(NAD_synthase)
3 THR A  16
SER A  53
PHE A 103
None
0.70A 3d4sA-5tw7A:
undetectable
3d4sA-5tw7A:
22.07
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.
5ukn DH522UCA FAB
FRAGMENT LIGHT CHAIN


(Macaca mulatta)
no annotation 3 THR L 114
SER L 137
PHE L 118
None
0.81A 3d4sA-5uknL:
undetectable
3d4sA-5uknL:
11.30
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.
5uld TRANSPORTER, NADC
FAMILY


(Vibrio cholerae)
PF00939
(Na_sulph_symp)
3 THR A 154
SER A 146
PHE A 104
None
NA  A 501 (-2.4A)
None
0.74A 3d4sA-5uldA:
1.7
3d4sA-5uldA:
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.
5wiv D(4) DOPAMINE
RECEPTOR, SOLUBLE
CYTOCHROME B562
CHIMERA


(Escherichia
coli;
Homo sapiens)
no annotation 3 THR A 120
SER A 200
PHE A 410
AQD  A1201 (-4.4A)
AQD  A1201 (-3.6A)
AQD  A1201 (-4.7A)
0.64A 3d4sA-5wivA:
30.4
3d4sA-5wivA:
27.63
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.
5x8z PENICILLIN V
ACYLASE-LIKE PROTEIN


(Shewanella
loihica)
no annotation 3 THR A  77
SER A  63
PHE A 277
None
0.73A 3d4sA-5x8zA:
undetectable
3d4sA-5x8zA:
9.94
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.
5yim SDEA

(Legionella
pneumophila)
no annotation 3 THR A1000
SER A 998
PHE A1005
None
0.69A 3d4sA-5yimA:
2.3
3d4sA-5yimA:
11.48
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.
5zal ENDORIBONUCLEASE
DICER


(Homo sapiens)
no annotation 3 THR A 348
SER A 299
PHE A 280
None
0.84A 3d4sA-5zalA:
undetectable
3d4sA-5zalA:
12.21
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.
6cm4 D(2) DOPAMINE
RECEPTOR, ENDOLYSIN
CHIMERA


(Escherichia
virus T4;
Homo sapiens)
no annotation 3 THR A 119
SER A 197
PHE A 389
8NU  A2001 ( 4.4A)
8NU  A2001 ( 3.6A)
8NU  A2001 ( 4.5A)
0.56A 3d4sA-6cm4A:
35.5
3d4sA-6cm4A:
11.24