SIMILAR PATTERNS OF AMINO ACIDS FOR 3RQW_I_ACHI323

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.
1axi GROWTH HORMONE
RECEPTOR

(Homo sapiens) 		PF00041
(fn3)
PF09067
(EpoR_lig-bind) 		4 PHE B  35
ILE B 128
LEU B  66
PHE B  96
 None
 1.03A 3rqwI-1axiB:
1.2
3rqwJ-1axiB:
1.2		 3rqwI-1axiB:
17.96
3rqwJ-1axiB:
17.96
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.
1ebv PROSTAGLANDIN H2
SYNTHASE

(Ovis aries) 		PF00008
(EGF)
PF03098
(An_peroxidase) 		4 PHE A 181
ILE A 452
TYR A 495
LEU A 494
 None
 1.02A 3rqwI-1ebvA:
0.0
3rqwJ-1ebvA:
0.0		 3rqwI-1ebvA:
19.20
3rqwJ-1ebvA:
19.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1f82 BOTULINUM NEUROTOXIN
TYPE B

(Clostridium
botulinum) 		PF01742
(Peptidase_M27) 		4 ILE A 366
TYR A 391
LEU A 385
PHE A 397
 None
 0.95A 3rqwI-1f82A:
0.0
3rqwJ-1f82A:
0.0		 3rqwI-1f82A:
19.86
3rqwJ-1f82A:
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.
1fou UPPER COLLAR PROTEIN

(Bacillus virus
phi29) 		PF05352
(Phage_connector) 		4 PHE A  65
ILE A  57
GLU A  54
LEU A  44
 None
 1.05A 3rqwI-1fouA:
undetectable
3rqwJ-1fouA:
undetectable		 3rqwI-1fouA:
21.37
3rqwJ-1fouA:
21.37
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.
1gkp HYDANTOINASE

(Thermus sp.) 		PF01979
(Amidohydro_1) 		4 PHE A 417
GLU A 281
TYR A 285
LEU A 270
 None
 1.05A 3rqwI-1gkpA:
0.0
3rqwJ-1gkpA:
undetectable		 3rqwI-1gkpA:
18.24
3rqwJ-1gkpA:
18.24
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.
1gpm GMP SYNTHETASE

(Escherichia
coli) 		PF00117
(GATase)
PF00958
(GMP_synt_C)
PF02540
(NAD_synthase) 		4 PHE A 259
ASN A 262
LEU A 265
PHE A 403
 None
AMP  A 527 ( 4.8A)
None
None
 0.97A 3rqwI-1gpmA:
0.0
3rqwJ-1gpmA:
0.0		 3rqwI-1gpmA:
19.40
3rqwJ-1gpmA:
19.40
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.
1lln ANTIVIRAL PROTEIN 3

(Phytolacca
americana) 		PF00161
(RIP) 		5 ILE A 111
GLU A 159
TYR A  73
LEU A  61
PHE A 162
 None
 1.36A 3rqwI-1llnA:
0.0
3rqwJ-1llnA:
0.0		 3rqwI-1llnA:
19.64
3rqwJ-1llnA:
19.64
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.
1mec MENGO VIRUS COAT
PROTEIN (SUBUNIT
VP1)

(Cardiovirus A) 		no annotation 4 PHE 1 222
ILE 1  43
TYR 1 242
PHE 1 114
 None
 0.96A 3rqwI-1mec1:
undetectable
3rqwJ-1mec1:
0.0		 3rqwI-1mec1:
21.78
3rqwJ-1mec1:
21.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1nd7 WW DOMAIN-CONTAINING
PROTEIN 1

(Homo sapiens) 		PF00632
(HECT) 		5 ASN A 650
GLU A 578
TYR A 628
LEU A 630
PHE A 577
 None
 1.49A 3rqwI-1nd7A:
undetectable
3rqwJ-1nd7A:
undetectable		 3rqwI-1nd7A:
21.30
3rqwJ-1nd7A:
21.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1nd7 WW DOMAIN-CONTAINING
PROTEIN 1

(Homo sapiens) 		PF00632
(HECT) 		4 PHE A 834
ILE A 828
LEU A 846
PHE A 873
 None
 1.04A 3rqwI-1nd7A:
undetectable
3rqwJ-1nd7A:
undetectable		 3rqwI-1nd7A:
21.30
3rqwJ-1nd7A:
21.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1nyl GLUTAMINYL-TRNA
SYNTHETASE

(Escherichia
coli) 		PF00749
(tRNA-synt_1c)
PF03950
(tRNA-synt_1c_C) 		4 ASN A 355
GLU A 361
TYR A 415
PHE A 381
 None
 0.96A 3rqwI-1nylA:
undetectable
3rqwJ-1nylA:
undetectable		 3rqwI-1nylA:
21.61
3rqwJ-1nylA:
21.61
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.
1oyp RIBONUCLEASE PH

(Bacillus
subtilis) 		PF01138
(RNase_PH)
PF03725
(RNase_PH_C) 		4 ASN A 153
ILE A 112
LEU A 241
PHE A 134
 None
 0.94A 3rqwI-1oypA:
undetectable
3rqwJ-1oypA:
undetectable		 3rqwI-1oypA:
19.65
3rqwJ-1oypA:
19.65
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.
1q9c SON OF SEVENLESS
PROTEIN

(Homo sapiens) 		PF00125
(Histone) 		4 TYR A 129
ILE A  87
LEU A  59
PHE A  78
 None
 1.05A 3rqwI-1q9cA:
undetectable
3rqwJ-1q9cA:
undetectable		 3rqwI-1q9cA:
21.56
3rqwJ-1q9cA:
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.
1rcw CT610

(Chlamydia
trachomatis) 		PF03070
(TENA_THI-4) 		5 PHE A  95
ILE A 148
TYR A  43
LEU A  40
PHE A  26
 None
 1.43A 3rqwI-1rcwA:
undetectable
3rqwJ-1rcwA:
undetectable		 3rqwI-1rcwA:
20.19
3rqwJ-1rcwA:
20.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1t8t HEPARAN SULFATE
D-GLUCOSAMINYL
3-O-SULFOTRANSFERASE
3A1

(Homo sapiens) 		PF00685
(Sulfotransfer_1) 		4 ILE A 156
TYR A 199
LEU A 196
PHE A 187
 None
 0.98A 3rqwI-1t8tA:
undetectable
3rqwJ-1t8tA:
undetectable		 3rqwI-1t8tA:
22.22
3rqwJ-1t8tA:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tme THEILER'S MURINE
ENCEPHALOMYELITIS
VIRUS (SUBUNIT VP1)

(Cardiovirus B) 		no annotation 4 PHE 1 221
ILE 1  43
TYR 1 238
PHE 1 114
 None
 1.01A 3rqwI-1tme1:
undetectable
3rqwJ-1tme1:
undetectable		 3rqwI-1tme1:
21.86
3rqwJ-1tme1:
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.
1we5 PUTATIVE FAMILY 31
GLUCOSIDASE YICI

(Escherichia
coli) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		4 TYR A 349
ASN A 347
ILE A 421
PHE A 389
 None
 0.99A 3rqwI-1we5A:
undetectable
3rqwJ-1we5A:
undetectable		 3rqwI-1we5A:
17.16
3rqwJ-1we5A:
17.16
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.
1wpn MANGANESE-DEPENDENT
INORGANIC
PYROPHOSPHATASE

(Bacillus
subtilis) 		PF01368
(DHH) 		4 ASN A 130
GLU A  93
TYR A  23
LEU A  26
 None
 1.02A 3rqwI-1wpnA:
undetectable
3rqwJ-1wpnA:
undetectable		 3rqwI-1wpnA:
20.19
3rqwJ-1wpnA:
20.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zc3 EXOCYST COMPLEX
PROTEIN EXO84

(Rattus
norvegicus) 		no annotation 4 TYR B 176
ILE B 260
LEU B 268
PHE B 242
 None
 1.01A 3rqwI-1zc3B:
undetectable
3rqwJ-1zc3B:
undetectable		 3rqwI-1zc3B:
17.69
3rqwJ-1zc3B:
17.69
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.
2buy PROTOCATECHUATE
3,4-DIOXYGENASE
ALPHA CHAIN

(Acinetobacter
sp. ADP1) 		PF00775
(Dioxygenase_C) 		4 PHE A 198
ILE A 130
LEU A 170
PHE A 185
 None
 1.03A 3rqwI-2buyA:
undetectable
3rqwJ-2buyA:
undetectable		 3rqwI-2buyA:
17.74
3rqwJ-2buyA:
17.74
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.
2c3o PYRUVATE-FERREDOXIN
OXIDOREDUCTASE

(Desulfovibrio
africanus) 		PF01558
(POR)
PF01855
(POR_N)
PF02775
(TPP_enzyme_C)
PF10371
(EKR)
PF13484
(Fer4_16)
PF17147
(PFOR_II) 		4 PHE A 828
ILE A 834
LEU A1053
PHE A 987
 None
 0.90A 3rqwI-2c3oA:
undetectable
3rqwJ-2c3oA:
undetectable		 3rqwI-2c3oA:
13.59
3rqwJ-2c3oA:
13.59
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.
2daz INAD-LIKE PROTEIN

(Homo sapiens) 		PF00595
(PDZ) 		4 ILE A  83
GLU A  78
TYR A  19
LEU A  22
 None
 1.04A 3rqwI-2dazA:
undetectable
3rqwJ-2dazA:
undetectable		 3rqwI-2dazA:
16.61
3rqwJ-2dazA:
16.61
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.
2gai DNA TOPOISOMERASE I

(Thermotoga
maritima) 		PF01131
(Topoisom_bac)
PF01751
(Toprim) 		4 GLU A 407
TYR A 378
LEU A 399
PHE A 239
 None
 1.02A 3rqwI-2gaiA:
undetectable
3rqwJ-2gaiA:
undetectable		 3rqwI-2gaiA:
19.27
3rqwJ-2gaiA:
19.27
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.
2haw MANGANESE-DEPENDENT
INORGANIC
PYROPHOSPHATASE

(Bacillus
subtilis) 		PF01368
(DHH)
PF02833
(DHHA2) 		4 ASN A 130
GLU A  93
TYR A  23
LEU A  26
 PG4  A6002 (-3.5A)
PG4  A6002 (-3.3A)
None
None
 1.02A 3rqwI-2hawA:
undetectable
3rqwJ-2hawA:
undetectable		 3rqwI-2hawA:
19.66
3rqwJ-2hawA:
19.66
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.
2np0 BOTULINUM NEUROTOXIN
TYPE B

(Clostridium
botulinum) 		PF01742
(Peptidase_M27)
PF07951
(Toxin_R_bind_C)
PF07952
(Toxin_trans)
PF07953
(Toxin_R_bind_N) 		4 ILE A 366
TYR A 391
LEU A 385
PHE A 397
 None
 1.06A 3rqwI-2np0A:
undetectable
3rqwJ-2np0A:
undetectable		 3rqwI-2np0A:
13.94
3rqwJ-2np0A:
13.94
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.
2q03 UNCHARACTERIZED
PROTEIN

(Shewanella
denitrificans) 		PF11528
(DUF3224) 		4 GLU A  70
TYR A  42
LEU A  46
PHE A  72
 None
 1.06A 3rqwI-2q03A:
undetectable
3rqwJ-2q03A:
undetectable		 3rqwI-2q03A:
17.33
3rqwJ-2q03A:
17.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2q9k UNCHARACTERIZED
PROTEIN

(Exiguobacterium
sibiricum) 		no annotation 4 PHE A  75
ILE A  40
LEU A  84
PHE A  71
 None
UNL  A 151 (-3.7A)
None
None
 0.86A 3rqwI-2q9kA:
undetectable
3rqwJ-2q9kA:
undetectable		 3rqwI-2q9kA:
18.60
3rqwJ-2q9kA:
18.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vat ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE

(Acremonium
chrysogenum) 		PF00561
(Abhydrolase_1) 		4 PHE A 186
ILE A 193
LEU A  59
PHE A 289
 None
 0.73A 3rqwI-2vatA:
undetectable
3rqwJ-2vatA:
undetectable		 3rqwI-2vatA:
20.64
3rqwJ-2vatA:
20.64
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.
2xu0 ERYTHROCYTE MEMBRANE
PROTEIN 1

(Plasmodium
falciparum) 		PF05424
(Duffy_binding)
PF15447
(NTS) 		4 PHE A 417
ILE A 402
LEU A  26
PHE A 432
 None
 0.93A 3rqwI-2xu0A:
undetectable
3rqwJ-2xu0A:
undetectable		 3rqwI-2xu0A:
21.07
3rqwJ-2xu0A:
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.
2yk0 ERYTHROCYTE MEMBRANE
PROTEIN 1

(Plasmodium
falciparum) 		PF03011
(PFEMP)
PF05424
(Duffy_binding)
PF15447
(NTS) 		4 PHE A 417
ILE A 402
LEU A  26
PHE A 432
 None
 0.87A 3rqwI-2yk0A:
2.2
3rqwJ-2yk0A:
2.1		 3rqwI-2yk0A:
17.64
3rqwJ-2yk0A:
17.64
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.
3bzw PUTATIVE LIPASE

(Bacteroides
thetaiotaomicron) 		PF13472
(Lipase_GDSL_2) 		4 PHE A 114
ILE A  65
LEU A 188
PHE A 252
 None
 0.93A 3rqwI-3bzwA:
undetectable
3rqwJ-3bzwA:
undetectable		 3rqwI-3bzwA:
20.18
3rqwJ-3bzwA:
20.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3erw SPORULATION
THIOL-DISULFIDE
OXIDOREDUCTASE A

(Bacillus
subtilis) 		PF00578
(AhpC-TSA) 		4 PHE A 107
ILE A  42
LEU A  72
PHE A 115
 None
 1.06A 3rqwI-3erwA:
undetectable
3rqwJ-3erwA:
undetectable		 3rqwI-3erwA:
17.65
3rqwJ-3erwA:
17.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3exs RMPD
(HEXULOSE-6-PHOSPHAT
E SYNTHASE)

(Streptococcus
mutans) 		PF00215
(OMPdecase) 		4 PHE A 212
ILE A 219
LEU A 177
PHE A 185
 None
 1.02A 3rqwI-3exsA:
undetectable
3rqwJ-3exsA:
undetectable		 3rqwI-3exsA:
22.39
3rqwJ-3exsA:
22.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3h09 IMMUNOGLOBULIN A1
PROTEASE

(Haemophilus
influenzae) 		PF02395
(Peptidase_S6)
PF03212
(Pertactin) 		4 GLU A 176
TYR A 135
LEU A 170
PHE A 110
 None
 1.00A 3rqwI-3h09A:
undetectable
3rqwJ-3h09A:
undetectable		 3rqwI-3h09A:
14.18
3rqwJ-3h09A:
14.18
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.
3ke5 HYPOTHETICAL
CYTOSOLIC PROTEIN

(Bacillus cereus) 		PF01923
(Cob_adeno_trans) 		4 ILE A  55
GLU A  58
TYR A 158
LEU A 155
 None
 1.04A 3rqwI-3ke5A:
undetectable
3rqwJ-3ke5A:
undetectable		 3rqwI-3ke5A:
20.81
3rqwJ-3ke5A:
20.81
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.
3kkc TETR FAMILY
TRANSCRIPTIONAL
REGULATOR

(Streptococcus
agalactiae) 		PF00440
(TetR_N)
PF14278
(TetR_C_8) 		4 GLU A  78
TYR A 126
LEU A 122
PHE A  77
 None
 0.99A 3rqwI-3kkcA:
undetectable
3rqwJ-3kkcA:
undetectable		 3rqwI-3kkcA:
18.90
3rqwJ-3kkcA:
18.90
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.
3kt4 PKHD-TYPE
HYDROXYLASE TPA1

(Saccharomyces
cerevisiae) 		PF10637
(Ofd1_CTDD)
PF13661
(2OG-FeII_Oxy_4) 		5 PHE A 170
ILE A  58
TYR A 125
LEU A 120
PHE A  30
 None
 1.02A 3rqwI-3kt4A:
undetectable
3rqwJ-3kt4A:
undetectable		 3rqwI-3kt4A:
21.47
3rqwJ-3kt4A:
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.
3lew SUSD-LIKE
CARBOHYDRATE BINDING
PROTEIN

(Bacteroides
vulgatus) 		PF07980
(SusD_RagB)
PF14322
(SusD-like_3) 		4 ASN A 223
GLU A 203
TYR A 246
LEU A 227
 1PE  A   7 (-3.0A)
1PE  A  13 ( 4.9A)
None
1PE  A   7 ( 4.9A)
 1.06A 3rqwI-3lewA:
undetectable
3rqwJ-3lewA:
undetectable		 3rqwI-3lewA:
19.53
3rqwJ-3lewA:
19.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lq1 2-SUCCINYL-5-ENOLPYR
UVYL-6-HYDROXY-3-CYC
LOHEXENE-1-CARBOXYLA
TE SYNTHASE

(Listeria
monocytogenes) 		PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N)
PF16582
(TPP_enzyme_M_2) 		4 PHE A 454
ILE A 405
LEU A 397
PHE A 418
 None
 1.02A 3rqwI-3lq1A:
undetectable
3rqwJ-3lq1A:
undetectable		 3rqwI-3lq1A:
20.24
3rqwJ-3lq1A:
20.24
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.
3mfq HIGH-AFFINITY ZINC
UPTAKE SYSTEM
PROTEIN ZNUA

(Streptococcus
suis) 		PF01297
(ZnuA) 		4 ILE A 136
TYR A 207
LEU A 183
PHE A 203
 None
 0.83A 3rqwI-3mfqA:
undetectable
3rqwJ-3mfqA:
undetectable		 3rqwI-3mfqA:
20.12
3rqwJ-3mfqA:
20.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mpx FYVE, RHOGEF AND PH
DOMAIN-CONTAINING
PROTEIN 5

(Homo sapiens) 		PF00169
(PH)
PF00621
(RhoGEF) 		4 ILE A 959
GLU A 904
TYR A1046
LEU A1043
 None
 0.98A 3rqwI-3mpxA:
undetectable
3rqwJ-3mpxA:
undetectable		 3rqwI-3mpxA:
21.36
3rqwJ-3mpxA:
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.
3pf7 BENZOYL-COA
OXYGENASE COMPONENT
B

(Azoarcus
evansii) 		no annotation 4 ILE A 324
GLU A 321
TYR A 311
PHE A  89
 None
 1.06A 3rqwI-3pf7A:
undetectable
3rqwJ-3pf7A:
undetectable		 3rqwI-3pf7A:
21.02
3rqwJ-3pf7A:
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.
3pta DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 1

(Homo sapiens) 		PF00145
(DNA_methylase)
PF01426
(BAH)
PF02008
(zf-CXXC) 		4 TYR A1254
GLU A1189
LEU A1142
PHE A1187
 None
 1.00A 3rqwI-3ptaA:
undetectable
3rqwJ-3ptaA:
undetectable		 3rqwI-3ptaA:
15.66
3rqwJ-3ptaA:
15.66
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.
3qky OUTER MEMBRANE
ASSEMBLY LIPOPROTEIN
YFIO

(Rhodothermus
marinus) 		PF13525
(YfiO) 		4 ILE A  98
GLU A 111
TYR A 146
PHE A 142
 None
 0.92A 3rqwI-3qkyA:
undetectable
3rqwJ-3qkyA:
undetectable		 3rqwI-3qkyA:
19.57
3rqwJ-3qkyA:
19.57
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.
3qs2 FIMBRILLIN MATB
HOMOLOG

(Escherichia
coli) 		PF16449
(MatB) 		4 ILE A 138
TYR A 151
LEU A 154
PHE A  42
 None
 0.97A 3rqwI-3qs2A:
undetectable
3rqwJ-3qs2A:
undetectable		 3rqwI-3qs2A:
20.12
3rqwJ-3qs2A:
20.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rm5 HYDROXYMETHYLPYRIMID
INE/PHOSPHOMETHYLPYR
IMIDINE KINASE THI20

(Saccharomyces
cerevisiae) 		PF03070
(TENA_THI-4)
PF08543
(Phos_pyr_kin) 		4 TYR A 383
GLU A 540
TYR A 445
PHE A 543
 None
 0.95A 3rqwI-3rm5A:
undetectable
3rqwJ-3rm5A:
undetectable		 3rqwI-3rm5A:
18.07
3rqwJ-3rm5A:
18.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3se4 INTERFERON OMEGA-1

(Homo sapiens) 		PF00143
(Interferon) 		4 ILE B 150
TYR B 125
LEU B 122
PHE B  40
 None
 1.01A 3rqwI-3se4B:
undetectable
3rqwJ-3se4B:
undetectable		 3rqwI-3se4B:
19.69
3rqwJ-3se4B:
19.69
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.
3slr UNCHARACTERIZED
PROTEIN BF1531

(Bacteroides
fragilis) 		no annotation 4 ILE A  40
TYR A 126
LEU A 173
PHE A  83
 None
 0.72A 3rqwI-3slrA:
undetectable
3rqwJ-3slrA:
undetectable		 3rqwI-3slrA:
21.50
3rqwJ-3slrA:
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.
3sqg METHYL-COENZYME M
REDUCTASE, GAMMA
SUBUNIT

(uncultured
archaeon) 		PF02240
(MCR_gamma) 		4 ILE C 133
GLU C 137
TYR C  87
LEU C 150
 None
 1.05A 3rqwI-3sqgC:
undetectable
3rqwJ-3sqgC:
undetectable		 3rqwI-3sqgC:
17.66
3rqwJ-3sqgC:
17.66
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.
3syj ADHESION AND
PENETRATION PROTEIN
AUTOTRANSPORTER

(Haemophilus
influenzae) 		PF02395
(Peptidase_S6)
PF03212
(Pertactin) 		4 GLU A 152
TYR A 121
LEU A 146
PHE A 107
 None
 1.00A 3rqwI-3syjA:
undetectable
3rqwJ-3syjA:
undetectable		 3rqwI-3syjA:
15.38
3rqwJ-3syjA:
15.38
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.
3uan HEPARAN SULFATE
GLUCOSAMINE
3-O-SULFOTRANSFERASE
1

(Mus musculus) 		PF00685
(Sulfotransfer_1) 		4 ILE A  62
TYR A 107
LEU A 104
PHE A  93
 None
 0.87A 3rqwI-3uanA:
undetectable
3rqwJ-3uanA:
undetectable		 3rqwI-3uanA:
20.94
3rqwJ-3uanA:
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.
3uow GMP SYNTHETASE

(Plasmodium
falciparum) 		PF00117
(GATase)
PF00958
(GMP_synt_C)
PF02540
(NAD_synthase) 		4 PHE A 286
ASN A 289
LEU A 292
PHE A 433
 None
 1.03A 3rqwI-3uowA:
undetectable
3rqwJ-3uowA:
undetectable		 3rqwI-3uowA:
20.14
3rqwJ-3uowA:
20.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3up4 OTEMO

(Pseudomonas
putida) 		PF00743
(FMO-like) 		4 PHE A 160
ILE A 154
LEU A 380
PHE A 214
 None
 1.02A 3rqwI-3up4A:
undetectable
3rqwJ-3up4A:
undetectable		 3rqwI-3up4A:
19.43
3rqwJ-3up4A:
19.43
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.
3uws HYPOTHETICAL PROTEIN

(Parabacteroides
merdae) 		PF03415
(Peptidase_C11) 		5 TYR B 374
GLU B 185
TYR B 363
LEU B 360
PHE B 350
 EDO  B 402 ( 4.7A)
None
None
None
None
 1.49A 3rqwI-3uwsB:
undetectable
3rqwJ-3uwsB:
undetectable		 3rqwI-3uwsB:
20.73
3rqwJ-3uwsB:
20.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3va6 TWO-COMPONENT SYSTEM
SENSOR HISTIDINE
KINASE

(Bacteroides
thetaiotaomicron) 		PF07494
(Reg_prop)
PF07495
(Y_Y_Y) 		4 ILE A 386
TYR A 424
LEU A 413
PHE A 431
 None
 0.93A 3rqwI-3va6A:
undetectable
3rqwJ-3va6A:
undetectable		 3rqwI-3va6A:
18.24
3rqwJ-3va6A:
18.24
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.
3x1j PHOSPHOPANTETHEINE
ADENYLYLTRANSFERASE

(Pseudomonas
aeruginosa) 		PF01467
(CTP_transf_like) 		4 PHE A  85
ILE A  32
LEU A  73
PHE A  69
 None
None
ACO  A 201 (-3.9A)
DMS  A 207 (-4.2A)
 1.05A 3rqwI-3x1jA:
undetectable
3rqwJ-3x1jA:
undetectable		 3rqwI-3x1jA:
21.38
3rqwJ-3x1jA:
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.
4a2l TWO-COMPONENT SYSTEM
SENSOR HISTIDINE
KINASE/RESPONSE

(Bacteroides
thetaiotaomicron) 		PF07494
(Reg_prop)
PF07495
(Y_Y_Y) 		4 PHE A  31
TYR A 335
TYR A 297
LEU A 284
 None
 0.95A 3rqwI-4a2lA:
undetectable
3rqwJ-4a2lA:
undetectable		 3rqwI-4a2lA:
18.23
3rqwJ-4a2lA:
18.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bug ANCILLARY PROTEIN 1

(Streptococcus
pyogenes) 		PF08341
(TED) 		4 TYR A 466
ILE A 458
GLU A 384
TYR A 298
 None
 0.91A 3rqwI-4bugA:
undetectable
3rqwJ-4bugA:
undetectable		 3rqwI-4bugA:
21.55
3rqwJ-4bugA:
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.
4c0g CCR4-NOT
TRANSCRIPTION
COMPLEX SUBUNIT 3

(Homo sapiens) 		PF04153
(NOT2_3_5) 		4 PHE A 742
ILE A 715
TYR A 744
LEU A 747
 None
 0.95A 3rqwI-4c0gA:
undetectable
3rqwJ-4c0gA:
undetectable		 3rqwI-4c0gA:
14.43
3rqwJ-4c0gA:
14.43
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.
4eis POLYSACCHARIDE
MONOOXYGENASE-3

(Neurospora
crassa) 		PF03443
(Glyco_hydro_61) 		4 ILE B  87
GLU B 155
TYR B 198
PHE B 170
 None
 0.74A 3rqwI-4eisB:
undetectable
3rqwJ-4eisB:
undetectable		 3rqwI-4eisB:
21.82
3rqwJ-4eisB:
21.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gxr MALONYL COA
SYNTHETASE,
BENZOATE-COA LIGASE
CHIMERIC PROTEIN

(Rhodopseudomonas
palustris;
Paraburkholderia
xenovorans) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		4 PHE A 231
TYR A 253
LEU A 256
PHE A 273
 None
 1.04A 3rqwI-4gxrA:
undetectable
3rqwJ-4gxrA:
undetectable		 3rqwI-4gxrA:
21.32
3rqwJ-4gxrA:
21.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hsu LYSINE-SPECIFIC
HISTONE DEMETHYLASE
1B

(Homo sapiens) 		PF01593
(Amino_oxidase)
PF04433
(SWIRM)
PF07496
(zf-CW) 		5 TYR A 545
ASN A 542
ILE A 438
TYR A 698
PHE A 680
 None
None
FAD  A 901 (-3.9A)
None
None
 1.49A 3rqwI-4hsuA:
undetectable
3rqwJ-4hsuA:
undetectable		 3rqwI-4hsuA:
18.17
3rqwJ-4hsuA:
18.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ied CLASS D
BETA-LACTAMASE

(Fusobacterium
nucleatum) 		PF00905
(Transpeptidase) 		4 PHE A  80
ILE A 182
TYR A 111
LEU A 114
 None
None
KCX  A  60 ( 3.8A)
None
 0.79A 3rqwI-4iedA:
undetectable
3rqwJ-4iedA:
undetectable		 3rqwI-4iedA:
22.45
3rqwJ-4iedA:
22.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4j1l TETANUS TOXIN

(Clostridium
tetani) 		PF01742
(Peptidase_M27) 		4 ILE A 369
TYR A 394
LEU A 388
PHE A 400
 None
 1.04A 3rqwI-4j1lA:
undetectable
3rqwJ-4j1lA:
undetectable		 3rqwI-4j1lA:
18.64
3rqwJ-4j1lA:
18.64
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.
4j5t MANNOSYL-OLIGOSACCHA
RIDE GLUCOSIDASE

(Saccharomyces
cerevisiae) 		PF03200
(Glyco_hydro_63)
PF16923
(Glyco_hydro_63N) 		4 PHE A 522
ILE A 615
GLU A 550
TYR A 552
 None
 1.05A 3rqwI-4j5tA:
1.2
3rqwJ-4j5tA:
1.5		 3rqwI-4j5tA:
17.52
3rqwJ-4j5tA:
17.52
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.
4keq 4-PYRIDOXOLACTONASE

(Mesorhizobium
japonicum) 		PF00753
(Lactamase_B) 		4 PHE A 204
TYR A 260
LEU A   8
PHE A 257
 None
 1.05A 3rqwI-4keqA:
undetectable
3rqwJ-4keqA:
undetectable		 3rqwI-4keqA:
22.22
3rqwJ-4keqA:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4n0g ABSCISIC ACID
RECEPTOR PYL13

(Arabidopsis
thaliana) 		PF10604
(Polyketide_cyc2) 		4 TYR C 127
ILE C 141
LEU C 101
PHE C 143
 None
 0.98A 3rqwI-4n0gC:
undetectable
3rqwJ-4n0gC:
undetectable		 3rqwI-4n0gC:
19.00
3rqwJ-4n0gC:
19.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nmy ABC-TYPE TRANSPORT
SYSTEM,
EXTRACELLULAR
SOLUTE-BINDING
PROTEIN

(Clostridioides
difficile) 		PF09084
(NMT1) 		4 ASN A  17
GLU A 161
TYR A 251
LEU A 252
 None
 0.97A 3rqwI-4nmyA:
undetectable
3rqwJ-4nmyA:
undetectable		 3rqwI-4nmyA:
19.94
3rqwJ-4nmyA:
19.94
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.
4p2b GLUTAMINE
AMINOACYL-TRNA
SYNTHETASE

(Toxoplasma
gondii) 		PF00749
(tRNA-synt_1c)
PF03950
(tRNA-synt_1c_C) 		4 ASN A 368
GLU A 374
TYR A 428
PHE A 394
 None
 0.75A 3rqwI-4p2bA:
undetectable
3rqwJ-4p2bA:
undetectable		 3rqwI-4p2bA:
18.26
3rqwJ-4p2bA:
18.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4r04 TOXIN A

(Clostridioides
difficile) 		PF11713
(Peptidase_C80)
PF12918
(TcdB_N)
PF12919
(TcdA_TcdB)
PF12920
(TcdA_TcdB_pore) 		4 ILE A1629
TYR A1565
LEU A1557
PHE A1585
 None
 1.05A 3rqwI-4r04A:
undetectable
3rqwJ-4r04A:
undetectable		 3rqwI-4r04A:
10.35
3rqwJ-4r04A:
10.35
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.
4rs1 GRANULOCYTE-MACROPHA
GE
COLONY-STIMULATING
FACTOR

(Homo sapiens) 		PF01109
(GM_CSF) 		4 PHE A  47
ILE A  19
TYR A  84
LEU A  55
 None
 0.97A 3rqwI-4rs1A:
undetectable
3rqwJ-4rs1A:
undetectable		 3rqwI-4rs1A:
15.61
3rqwJ-4rs1A:
15.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rs1 GRANULOCYTE-MACROPHA
GE
COLONY-STIMULATING
FACTOR RECEPTOR
SUBUNIT ALPHA

(Homo sapiens) 		PF09240
(IL6Ra-bind) 		4 PHE B 186
TYR B  92
LEU B  69
PHE B  21
 None
 1.00A 3rqwI-4rs1B:
1.9
3rqwJ-4rs1B:
undetectable		 3rqwI-4rs1B:
18.82
3rqwJ-4rs1B:
18.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4twf CYS-LOOP
LIGAND-GATED ION
CHANNEL

(Dickeya
chrysanthemi) 		PF02931
(Neur_chan_LBD) 		4 ILE A  79
GLU A 131
TYR A 175
PHE A 188
 None
BR7  A 401 (-4.1A)
BR7  A 401 (-3.9A)
BR7  A 401 (-3.9A)
 0.60A 3rqwI-4twfA:
33.0
3rqwJ-4twfA:
33.0		 3rqwI-4twfA:
99.35
3rqwJ-4twfA:
99.35
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.
4uyb SEC14-LIKE PROTEIN 3

(Homo sapiens) 		PF00650
(CRAL_TRIO) 		4 TYR A  59
ILE A  68
GLU A 129
TYR A 182
 None
 1.06A 3rqwI-4uybA:
undetectable
3rqwJ-4uybA:
undetectable		 3rqwI-4uybA:
21.95
3rqwJ-4uybA:
21.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xqk LLABIII

(Lactococcus
lactis) 		PF00271
(Helicase_C)
PF02384
(N6_Mtase)
PF04851
(ResIII)
PF13156
(Mrr_cat_2) 		4 PHE A 752
ILE A 745
LEU A 773
PHE A 814
 None
 1.03A 3rqwI-4xqkA:
undetectable
3rqwJ-4xqkA:
undetectable		 3rqwI-4xqkA:
11.86
3rqwJ-4xqkA:
11.86
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.
4y4v CONSERVED
HYPOTHETICAL
SECRETED PROTEIN

(Helicobacter
pylori) 		PF03734
(YkuD) 		4 TYR A  64
ASN A  88
ILE A 199
LEU A 213
 None
 0.98A 3rqwI-4y4vA:
undetectable
3rqwJ-4y4vA:
undetectable		 3rqwI-4y4vA:
21.63
3rqwJ-4y4vA:
21.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4yeu CYS-LOOP
LIGAND-GATED ION
CHANNEL,PROTON-GATED
ION CHANNEL

(Dickeya
chrysanthemi;
Gloeobacter
violaceus) 		PF02931
(Neur_chan_LBD) 		4 ILE A  79
GLU A 131
TYR A 175
PHE A 188
 None
 0.71A 3rqwI-4yeuA:
29.9
3rqwJ-4yeuA:
30.0		 3rqwI-4yeuA:
71.25
3rqwJ-4yeuA:
71.25
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.
5bnz GLUTAMINE--TRNA
LIGASE

(Pseudomonas
aeruginosa) 		PF00749
(tRNA-synt_1c)
PF03950
(tRNA-synt_1c_C) 		4 ASN A 357
GLU A 364
TYR A 417
PHE A 383
 None
 0.82A 3rqwI-5bnzA:
undetectable
3rqwJ-5bnzA:
undetectable		 3rqwI-5bnzA:
21.77
3rqwJ-5bnzA:
21.77
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.
5c65 SOLUTE CARRIER
FAMILY 2,
FACILITATED GLUCOSE
TRANSPORTER MEMBER 3

(Homo sapiens) 		PF00083
(Sugar_tr) 		4 PHE A 393
GLU A 252
TYR A 266
LEU A 260
 None
 0.97A 3rqwI-5c65A:
undetectable
3rqwJ-5c65A:
undetectable		 3rqwI-5c65A:
21.57
3rqwJ-5c65A:
21.57
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.
5ce5 TRIACYLGLYCEROL
LIPASE

(Geobacillus
thermocatenulatus) 		no annotation 4 PHE A 268
ILE A 363
TYR A 377
LEU A 380
 None
 0.94A 3rqwI-5ce5A:
undetectable
3rqwJ-5ce5A:
undetectable		 3rqwI-5ce5A:
23.11
3rqwJ-5ce5A:
23.11
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.
5dth MULTIPLE PDZ DOMAIN
PROTEIN

(Rattus
norvegicus) 		PF00595
(PDZ) 		4 ILE A1392
GLU A1387
TYR A1328
LEU A1331
 None
 1.05A 3rqwI-5dthA:
undetectable
3rqwJ-5dthA:
undetectable		 3rqwI-5dthA:
14.29
3rqwJ-5dthA:
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.
5efr BAMA-BAMD FUSION
PROTEIN

(Rhodothermus
marinus) 		PF07244
(POTRA)
PF13525
(YfiO) 		4 ILE A1098
GLU A1111
TYR A1146
PHE A1142
 None
 1.03A 3rqwI-5efrA:
2.4
3rqwJ-5efrA:
1.6		 3rqwI-5efrA:
18.57
3rqwJ-5efrA:
18.57
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.
5f3y UNCONVENTIONAL
MYOSIN-VIIB

(Mus musculus) 		PF00784
(MyTH4) 		4 PHE A1417
GLU A1455
TYR A1457
LEU A1450
 None
 0.95A 3rqwI-5f3yA:
undetectable
3rqwJ-5f3yA:
undetectable		 3rqwI-5f3yA:
19.65
3rqwJ-5f3yA:
19.65
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.
5gjw VOLTAGE-DEPENDENT
CALCIUM CHANNEL
SUBUNIT
ALPHA-2/DELTA-1

(Oryctolagus
cuniculus) 		PF00092
(VWA)
PF08399
(VWA_N)
PF08473
(VGCC_alpha2) 		4 GLU F 717
TYR F  66
LEU F  69
PHE F 714
 None
 0.92A 3rqwI-5gjwF:
undetectable
3rqwJ-5gjwF:
undetectable		 3rqwI-5gjwF:
14.83
3rqwJ-5gjwF:
14.83
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.
5k6o B-GLUCOSIDASE

(metagenome) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		4 TYR A 236
ASN A 592
ILE A 229
TYR A 154
 None
 0.96A 3rqwI-5k6oA:
undetectable
3rqwJ-5k6oA:
undetectable		 3rqwI-5k6oA:
16.98
3rqwJ-5k6oA:
16.98
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.
5m10 CYCLOHEXANONE
MONOOXYGENASE FROM
THERMOCRISPUM
MUNICIPALE

(Thermocrispum
municipale) 		PF07992
(Pyr_redox_2) 		4 PHE A 160
ILE A 154
LEU A 373
PHE A 207
 None
 0.95A 3rqwI-5m10A:
undetectable
3rqwJ-5m10A:
undetectable		 3rqwI-5m10A:
18.97
3rqwJ-5m10A:
18.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5m5p PRE-MRNA-SPLICING
HELICASE BRR2

(Saccharomyces
cerevisiae) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF02889
(Sec63) 		4 TYR A1254
GLU A1114
LEU A1240
PHE A1113
 None
 0.91A 3rqwI-5m5pA:
undetectable
3rqwJ-5m5pA:
undetectable		 3rqwI-5m5pA:
10.69
3rqwJ-5m5pA:
10.69
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.
5me4 PROBABLE PHOSPHITE
TRANSPORT
SYSTEM-BINDING
PROTEIN HTXB

(Pseudomonas
stutzeri) 		no annotation 4 PHE A 139
GLU A 154
TYR A 152
LEU A 121
 None
 1.06A 3rqwI-5me4A:
undetectable
3rqwJ-5me4A:
undetectable		 3rqwI-5me4A:
22.90
3rqwJ-5me4A:
22.90
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.
5n0c TETANUS TOXIN

(Clostridium
tetani) 		PF01742
(Peptidase_M27)
PF07951
(Toxin_R_bind_C)
PF07952
(Toxin_trans)
PF07953
(Toxin_R_bind_N) 		4 ILE A 369
TYR A 394
LEU A 388
PHE A 400
 None
 1.04A 3rqwI-5n0cA:
undetectable
3rqwJ-5n0cA:
undetectable		 3rqwI-5n0cA:
13.26
3rqwJ-5n0cA:
13.26
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.
5of4 TFIIH BASAL
TRANSCRIPTION FACTOR
COMPLEX HELICASE XPB
SUBUNIT,XPB,TFIIH
BASAL TRANSCRIPTION
FACTOR COMPLEX
HELICASE XPB SUBUNIT

(Homo sapiens) 		PF04851
(ResIII)
PF16203
(ERCC3_RAD25_C) 		4 PHE A 541
ILE A 626
LEU A 575
PHE A 606
 None
 0.83A 3rqwI-5of4A:
undetectable
3rqwJ-5of4A:
undetectable		 3rqwI-5of4A:
18.26
3rqwJ-5of4A:
18.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5tkf LYTIC POLYSACCHARIDE
MONOOXYGENASE

(Neurospora
crassa) 		PF03443
(Glyco_hydro_61) 		4 ILE A  89
GLU A 152
TYR A 194
PHE A 167
 None
 0.69A 3rqwI-5tkfA:
undetectable
3rqwJ-5tkfA:
undetectable		 3rqwI-5tkfA:
18.71
3rqwJ-5tkfA:
18.71
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.
5tp4 AMIDASE,
HYDANTOINASE/CARBAMO
YLASE FAMILY

(Burkholderia
ambifaria) 		PF01546
(Peptidase_M20) 		4 PHE A 144
GLU A 188
TYR A 186
LEU A  80
 EDO  A 505 ( 4.9A)
None
None
None
 0.93A 3rqwI-5tp4A:
undetectable
3rqwJ-5tp4A:
undetectable		 3rqwI-5tp4A:
22.17
3rqwJ-5tp4A:
22.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5u8s CELL DIVISION
CONTROL PROTEIN 45

(Saccharomyces
cerevisiae) 		PF02724
(CDC45) 		4 PHE E  95
ILE E 139
TYR E  71
LEU E  67
 None
 1.01A 3rqwI-5u8sE:
undetectable
3rqwJ-5u8sE:
undetectable		 3rqwI-5u8sE:
18.35
3rqwJ-5u8sE:
18.35
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.
5xhw PUTATIVE
6-DEOXY-D-MANNOHEPTO
SE PATHWAY PROTEIN

(Yersinia
pseudotuberculosis) 		no annotation 5 ILE A 154
GLU A 188
TYR A 170
LEU A 127
PHE A 187
 None
SO4  A 303 ( 4.7A)
None
None
None
 1.25A 3rqwI-5xhwA:
undetectable
3rqwJ-5xhwA:
undetectable		 3rqwI-5xhwA:
undetectable
3rqwJ-5xhwA:
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.
5zb8 PFUENDOQ

(Pyrococcus
furiosus) 		no annotation 4 PHE A 165
ASN A 191
ILE A  72
LEU A  86
 None
 1.05A 3rqwI-5zb8A:
undetectable
3rqwJ-5zb8A:
undetectable		 3rqwI-5zb8A:
undetectable
3rqwJ-5zb8A:
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.
6bvd LIGHT CHAIN

(Clostridium
botulinum) 		no annotation 4 ILE A 360
TYR A 385
LEU A 379
PHE A 391
 None
 1.06A 3rqwI-6bvdA:
undetectable
3rqwJ-6bvdA:
undetectable		 3rqwI-6bvdA:
undetectable
3rqwJ-6bvdA:
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.
6dbr -

(-) 		no annotation 4 TYR A 948
ILE A 829
GLU A 825
TYR A 950
 None
 0.97A 3rqwI-6dbrA:
undetectable
3rqwJ-6dbrA:
undetectable		 3rqwI-6dbrA:
undetectable
3rqwJ-6dbrA:
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.
6g2j NADH-UBIQUINONE
OXIDOREDUCTASE CHAIN
5
NADH DEHYDROGENASE
[UBIQUINONE] 1 BETA
SUBCOMPLEX SUBUNIT
10

(Mus musculus;
Mus musculus) 		no annotation
no annotation 		4 PHE L  55
ASN L  58
ILE p  29
PHE L   4
 None
 1.06A 3rqwI-6g2jL:
undetectable
3rqwJ-6g2jL:
undetectable		 3rqwI-6g2jL:
undetectable
3rqwJ-6g2jL:
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.
6gun -

(-) 		no annotation 4 PHE A 160
ILE A 189
GLU A 192
LEU A 126
 None
 0.81A 3rqwI-6gunA:
undetectable
3rqwJ-6gunA:
undetectable		 3rqwI-6gunA:
undetectable
3rqwJ-6gunA:
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.
6guo -

(-) 		no annotation 4 PHE A 169
ILE A 198
GLU A 201
LEU A 134
 None
 0.83A 3rqwI-6guoA:
undetectable
3rqwJ-6guoA:
undetectable		 3rqwI-6guoA:
undetectable
3rqwJ-6guoA:
undetectable