SIMILAR PATTERNS OF AMINO ACIDS FOR 2W98_B_P1ZB1356_1

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.
1b8g PROTEIN
(1-AMINOCYCLOPROPANE
-1-CARBOXYLATE
SYNTHASE)


(Malus domestica)
PF00155
(Aminotran_1_2)
4 ILE A 392
LEU A 345
VAL A 342
LEU A 341
None
0.89A 2w98B-1b8gA:
3.4
2w98B-1b8gA:
20.42
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.
1cr5 SEC18P (RESIDUES 22
- 210)


(Saccharomyces
cerevisiae)
PF02359
(CDC48_N)
PF02933
(CDC48_2)
4 ILE A 117
PHE A 206
LEU A 158
LEU A 169
None
0.72A 2w98B-1cr5A:
undetectable
2w98B-1cr5A:
18.38
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.
1e6v METHYL-COENZYME M
REDUCTASE I ALPHA
SUBUNIT


(Methanopyrus
kandleri)
PF02249
(MCR_alpha)
PF02745
(MCR_alpha_N)
5 ILE A 239
TYR A 135
LEU A 119
VAL A 118
LEU A 123
None
1.15A 2w98B-1e6vA:
undetectable
2w98B-1e6vA:
22.66
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.
1i4e CASPASE-8

(Homo sapiens)
PF00656
(Peptidase_C14)
4 ILE B2311
PHE B2476
LEU B2425
LEU B2429
None
0.73A 2w98B-1i4eB:
3.3
2w98B-1i4eB:
20.23
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.
1je6 MHC CLASS I
CHAIN-RELATED
PROTEIN


(Homo sapiens)
PF00129
(MHC_I)
PF07654
(C1-set)
4 PHE A 117
TYR A 157
LEU A  73
LEU A  90
None
0.87A 2w98B-1je6A:
undetectable
2w98B-1je6A:
22.16
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.
1k9x M32 CARBOXYPEPTIDASE

(Pyrococcus
furiosus)
PF02074
(Peptidase_M32)
4 PHE A 342
TYR A 255
VAL A 268
LEU A 265
None
0.73A 2w98B-1k9xA:
undetectable
2w98B-1k9xA:
21.34
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.
1kcx DIHYDROPYRIMIDINASE
RELATED PROTEIN-1


(Mus musculus)
PF01979
(Amidohydro_1)
4 ILE A 391
TYR A 479
LEU A 196
VAL A 197
None
0.91A 2w98B-1kcxA:
undetectable
2w98B-1kcxA:
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.
1lns X-PROLYL DIPEPTIDYL
AMINOPEPTIDASE


(Lactococcus
lactis)
PF02129
(Peptidase_S15)
PF08530
(PepX_C)
PF09168
(PepX_N)
4 PHE A  25
LEU A 134
VAL A 135
LEU A 124
None
0.78A 2w98B-1lnsA:
undetectable
2w98B-1lnsA:
19.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1m9i ANNEXIN VI

(Homo sapiens)
PF00191
(Annexin)
4 ILE A 461
TYR A 477
LEU A 489
LEU A 501
None
0.90A 2w98B-1m9iA:
undetectable
2w98B-1m9iA:
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.
1r4p SHIGA-LIKE TOXIN
TYPE II A SUBUNIT


(Escherichia
coli)
PF00161
(RIP)
4 TYR A  13
ILE A   5
LEU A  57
LEU A 135
None
0.86A 2w98B-1r4pA:
undetectable
2w98B-1r4pA:
21.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1r5n EUKARYOTIC PEPTIDE
CHAIN RELEASE FACTOR
GTP-BINDING SUBUNIT


(Schizosaccharomyces
pombe)
PF00009
(GTP_EFTU)
PF03143
(GTP_EFTU_D3)
4 ILE A 241
LEU A 452
VAL A 434
LEU A 451
None
0.89A 2w98B-1r5nA:
undetectable
2w98B-1r5nA:
21.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1rjl OUTER SURFACE
PROTEIN B


(Borreliella
burgdorferi)
PF00820
(Lipoprotein_1)
4 ILE C 285
PHE C 260
LEU C 295
LEU C 212
None
0.90A 2w98B-1rjlC:
undetectable
2w98B-1rjlC:
16.42
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.
1v4u HEMOGLOBIN ALPHA
CHAIN


(Thunnus thynnus)
PF00042
(Globin)
4 ILE A  25
LEU A  14
VAL A  11
LEU A 127
None
0.88A 2w98B-1v4uA:
undetectable
2w98B-1v4uA:
18.21
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.
1vpv UPF0230 PROTEIN
TM1468


(Thermotoga
maritima)
PF02645
(DegV)
4 ILE A 268
PHE A 162
VAL A 176
LEU A 170
PLM  A 501 ( 4.5A)
PLM  A 501 (-3.7A)
None
None
0.90A 2w98B-1vpvA:
undetectable
2w98B-1vpvA:
22.64
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.
1wy2 XAA-PRO DIPEPTIDASE

(Pyrococcus
horikoshii)
PF00557
(Peptidase_M24)
PF01321
(Creatinase_N)
4 TYR A  82
PHE A 101
LEU A  46
LEU A  24
None
0.88A 2w98B-1wy2A:
undetectable
2w98B-1wy2A:
21.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bzl TYROSINE-PROTEIN
PHOSPHATASE,
NON-RECEPTOR TYPE 14


(Homo sapiens)
PF00102
(Y_phosphatase)
4 TYR A 913
ILE A 916
LEU A1133
VAL A1130
None
0.89A 2w98B-2bzlA:
undetectable
2w98B-2bzlA:
21.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2cgj L-RHAMNULOSE KINASE

(Escherichia
coli)
PF00370
(FGGY_N)
PF02782
(FGGY_C)
4 TYR A 254
LEU A 383
VAL A 382
LEU A 386
None
0.79A 2w98B-2cgjA:
undetectable
2w98B-2cgjA:
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.
2f6g HTH-TYPE
TRANSCRIPTIONAL
REGULATOR BENM


(Acinetobacter
baylyi)
PF03466
(LysR_substrate)
4 ILE A 221
PHE A 211
VAL A 166
LEU A 242
None
0.87A 2w98B-2f6gA:
undetectable
2w98B-2f6gA:
21.17
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.
2fvt CONSERVED
HYPOTHETICAL PROTEIN


(Rhodopseudomonas
palustris)
PF04430
(DUF498)
4 ILE A  53
LEU A  97
VAL A  95
LEU A  71
None
0.90A 2w98B-2fvtA:
undetectable
2w98B-2fvtA:
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.
2gf1 INSULIN-LIKE GROWTH
FACTOR I


(Homo sapiens)
PF00049
(Insulin)
4 TYR A  31
LEU A  14
VAL A  11
LEU A  10
None
0.88A 2w98B-2gf1A:
undetectable
2w98B-2gf1A:
13.69
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.
2jhn 3-METHYLADENINE
DNA-GLYCOSYLASE


(Archaeoglobus
fulgidus)
PF00730
(HhH-GPD)
4 TYR A 211
LEU A 227
VAL A 226
LEU A 231
None
0.82A 2w98B-2jhnA:
undetectable
2w98B-2jhnA:
24.27
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.
2l5l THIOREDOXIN

(Bacteroides
vulgatus)
PF00085
(Thioredoxin)
4 TYR A  24
PHE A  88
VAL A  43
LEU A  97
None
0.86A 2w98B-2l5lA:
undetectable
2w98B-2l5lA:
15.69
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.
2p5t PEZT

(Streptococcus
pneumoniae)
PF06414
(Zeta_toxin)
4 ILE B 143
LEU B 224
VAL B 223
LEU B 227
None
0.87A 2w98B-2p5tB:
undetectable
2w98B-2p5tB:
21.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pia PHTHALATE
DIOXYGENASE
REDUCTASE


(Burkholderia
cepacia)
PF00111
(Fer2)
PF00175
(NAD_binding_1)
PF00970
(FAD_binding_6)
4 ILE A 305
PHE A 238
LEU A 261
VAL A 260
None
0.86A 2w98B-2piaA:
2.7
2w98B-2piaA:
22.34
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.
2r1d NEUREXIN-1-BETA

(Rattus
norvegicus)
PF02210
(Laminin_G_2)
5 ILE A 122
TYR A 127
LEU A  80
VAL A  81
LEU A  95
None
1.47A 2w98B-2r1dA:
undetectable
2w98B-2r1dA:
20.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vro ALDEHYDE
DEHYDROGENASE


(Paraburkholderia
xenovorans)
PF00171
(Aldedh)
4 ILE A 299
PHE A 280
LEU A 384
LEU A 316
None
0.82A 2w98B-2vroA:
3.3
2w98B-2vroA:
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.
2w68 SIALIDASE

(Vibrio cholerae)
PF09264
(Sial-lect-inser)
4 PHE A 170
TYR A 206
LEU A 131
LEU A 144
None
0.90A 2w98B-2w68A:
undetectable
2w98B-2w68A:
21.85
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.
2y9t TUMOR PROTEIN 63

(Homo sapiens)
PF07647
(SAM_2)
4 ILE A 601
PHE A 565
LEU A 556
LEU A 553
None
0.90A 2w98B-2y9tA:
undetectable
2w98B-2y9tA:
11.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2zb3 PROSTAGLANDIN
REDUCTASE 2


(Mus musculus)
PF00107
(ADH_zinc_N)
PF16884
(ADH_N_2)
6 TYR A  51
PHE A  99
TYR A 259
TYR A 265
VAL A 289
LEU A 290
None
None
NDP  A 900 (-4.5A)
None
NDP  A 900 (-3.7A)
None
0.37A 2w98B-2zb3A:
34.4
2w98B-2zb3A:
85.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2zb4 PROSTAGLANDIN
REDUCTASE 2


(Homo sapiens)
PF00107
(ADH_zinc_N)
PF16884
(ADH_N_2)
5 TYR A  51
ILE A  65
TYR A 259
TYR A 265
LEU A 288
5OP  A 600 (-3.4A)
5OP  A 600 ( 4.6A)
NAP  A 500 (-4.4A)
None
NAP  A 500 (-4.7A)
0.61A 2w98B-2zb4A:
57.9
2w98B-2zb4A:
97.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2zb4 PROSTAGLANDIN
REDUCTASE 2


(Homo sapiens)
PF00107
(ADH_zinc_N)
PF16884
(ADH_N_2)
6 TYR A  51
TYR A 259
TYR A 265
LEU A 288
VAL A 289
LEU A 290
5OP  A 600 (-3.4A)
NAP  A 500 (-4.4A)
None
NAP  A 500 (-4.7A)
NAP  A 500 ( 3.6A)
5OP  A 600 (-3.7A)
0.52A 2w98B-2zb4A:
57.9
2w98B-2zb4A:
97.49
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.
3d1k HEMOGLOBIN SUBUNIT
ALPHA-1


(Trematomus
newnesi)
PF00042
(Globin)
4 ILE A  24
LEU A  13
VAL A  10
LEU A 126
None
0.89A 2w98B-3d1kA:
undetectable
2w98B-3d1kA:
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.
3fi1 NA(+)/H(+)
ANTIPORTER NHAA


(Escherichia
coli)
PF06965
(Na_H_antiport_1)
4 ILE A 209
LEU A 194
VAL A 193
LEU A 197
None
0.90A 2w98B-3fi1A:
undetectable
2w98B-3fi1A:
20.85
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.
3hl4 CHOLINE-PHOSPHATE
CYTIDYLYLTRANSFERASE
A


(Rattus
norvegicus)
PF01467
(CTP_transf_like)
4 PHE A  85
LEU A 108
VAL A 142
LEU A  96
CDC  A 237 (-4.4A)
None
None
None
0.83A 2w98B-3hl4A:
2.6
2w98B-3hl4A:
23.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i4x TRYPTOPHAN
DIMETHYLALLYLTRANSFE
RASE


(Aspergillus
fumigatus)
PF11991
(Trp_DMAT)
4 TYR A  58
PHE A  88
LEU A 179
VAL A  99
None
0.90A 2w98B-3i4xA:
undetectable
2w98B-3i4xA:
22.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3j2v PREC/CORE PROTEIN

(Hepatitis B
virus)
no annotation 4 TYR C   6
LEU C 116
VAL C 115
LEU C 119
None
0.71A 2w98B-3j2vC:
undetectable
2w98B-3j2vC:
16.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mzy RNA POLYMERASE
SIGMA-H FACTOR


(Fusobacterium
nucleatum)
PF04542
(Sigma70_r2)
4 ILE A  59
LEU A 158
VAL A 157
LEU A 161
None
0.75A 2w98B-3mzyA:
undetectable
2w98B-3mzyA:
19.36
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.
3n6r PROPIONYL-COA
CARBOXYLASE, ALPHA
SUBUNIT


(Ruegeria
pomeroyi)
PF00289
(Biotin_carb_N)
PF00364
(Biotin_lipoyl)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2)
4 ILE A 627
LEU A 605
VAL A 607
LEU A 612
None
0.86A 2w98B-3n6rA:
4.6
2w98B-3n6rA:
20.52
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.
3naf CALCIUM-ACTIVATED
POTASSIUM CHANNEL
SUBUNIT
ALPHA-1,CALCIUM-ACTI
VATED POTASSIUM
CHANNEL SUBUNIT
ALPHA-1,CALCIUM-ACTI
VATED POTASSIUM
CHANNEL SUBUNIT
ALPHA-1


(Homo sapiens)
PF03493
(BK_channel_a)
4 ILE A 598
TYR A 996
LEU A1052
VAL A 977
None
0.88A 2w98B-3nafA:
3.7
2w98B-3nafA:
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.
3nmz APC VARIANT PROTEIN

(Homo sapiens)
PF00514
(Arm)
4 ILE A 357
LEU A 407
VAL A 406
LEU A 410
None
0.82A 2w98B-3nmzA:
undetectable
2w98B-3nmzA:
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.
3rns CUPIN 2 CONSERVED
BARREL DOMAIN
PROTEIN


(Leptotrichia
buccalis)
PF07883
(Cupin_2)
4 TYR A  58
ILE A  67
LEU A  98
LEU A  41
None
0.86A 2w98B-3rnsA:
undetectable
2w98B-3rnsA:
20.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3s4u PHND, SUBUNIT OF
ALKYLPHOSPHONATE ABC
TRANSPORTER


(Escherichia
coli)
PF12974
(Phosphonate-bd)
4 ILE A 144
PHE A 149
LEU A 108
LEU A 111
None
0.90A 2w98B-3s4uA:
undetectable
2w98B-3s4uA:
19.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3syj ADHESION AND
PENETRATION PROTEIN
AUTOTRANSPORTER


(Haemophilus
influenzae)
PF02395
(Peptidase_S6)
PF03212
(Pertactin)
4 PHE A 491
TYR A 564
LEU A 507
LEU A 485
None
0.90A 2w98B-3syjA:
undetectable
2w98B-3syjA:
16.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vnd TRYPTOPHAN SYNTHASE
ALPHA CHAIN


(Shewanella
frigidimarina)
PF00290
(Trp_syntA)
4 ILE A  26
LEU A 106
VAL A 107
LEU A 102
None
0.87A 2w98B-3vndA:
undetectable
2w98B-3vndA:
21.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vut DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 4


(Homo sapiens)
PF00069
(Pkinase)
4 ILE A 367
TYR A 358
LEU A 293
LEU A 297
None
0.88A 2w98B-3vutA:
undetectable
2w98B-3vutA:
21.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wv4 NON-RIBOSOMAL
PEPTIDE SYNTHETASE


(Streptomyces
halstedii)
PF00501
(AMP-binding)
4 ILE A 271
LEU A 261
VAL A 258
LEU A 257
None
0.90A 2w98B-3wv4A:
5.2
2w98B-3wv4A:
21.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wvn NON-RIBOSOMAL
PEPTIDE SYNTHETASE


(Streptomyces
halstedii)
PF00501
(AMP-binding)
4 ILE A 271
LEU A 261
VAL A 258
LEU A 257
None
0.90A 2w98B-3wvnA:
3.6
2w98B-3wvnA:
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.
3wya ELONGATION FACTOR
1-ALPHA


(Pyrococcus
horikoshii)
PF00009
(GTP_EFTU)
PF03143
(GTP_EFTU_D3)
PF03144
(GTP_EFTU_D2)
4 ILE A  85
PHE A  12
VAL A 188
LEU A 203
None
0.85A 2w98B-3wyaA:
2.1
2w98B-3wyaA:
21.33
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.
3x0u UNCHARACTERIZED
PROTEIN


(Vibrio
parahaemolyticus)
PF03945
(Endotoxin_N)
4 ILE A 308
PHE A 378
LEU A 340
LEU A 328
None
0.91A 2w98B-3x0uA:
undetectable
2w98B-3x0uA:
24.73
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.
3zgk AVR3A11

(Phytophthora
capsici)
PF16810
(RXLR)
4 ILE A  82
TYR A 128
LEU A 106
LEU A 110
None
0.71A 2w98B-3zgkA:
undetectable
2w98B-3zgkA:
10.57
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.
4a1f REPLICATIVE DNA
HELICASE


(Helicobacter
pylori)
PF03796
(DnaB_C)
4 ILE A 200
PHE A 387
LEU A 317
LEU A 355
None
0.73A 2w98B-4a1fA:
2.3
2w98B-4a1fA:
22.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4c3o HYDROGENASE-1 LARGE
SUBUNIT


(Salmonella
enterica)
PF00374
(NiFeSe_Hases)
4 TYR A 206
PHE A 182
LEU A 166
LEU A 170
None
0.89A 2w98B-4c3oA:
undetectable
2w98B-4c3oA:
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.
4cp2 EPITHELIAL ADHESIN 9

([Candida]
glabrata)
PF10528
(GLEYA)
4 ILE A 250
PHE A 191
TYR A 284
LEU A 242
None
0.82A 2w98B-4cp2A:
undetectable
2w98B-4cp2A:
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.
4eae LMO1068 PROTEIN

(Listeria
monocytogenes)
PF16781
(DUF5068)
4 TYR A 192
ILE A 182
LEU A 210
LEU A 240
None
0.81A 2w98B-4eaeA:
undetectable
2w98B-4eaeA:
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.
4el8 GLYCOSIDE HYDROLASE
FAMILY 48


(Caldicellulosiruptor
bescii)
PF02011
(Glyco_hydro_48)
4 TYR A 361
ILE A 358
TYR A 477
LEU A 439
None
0.81A 2w98B-4el8A:
undetectable
2w98B-4el8A:
19.81
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.
4epp POLY(ADP-RIBOSE)
GLYCOHYDROLASE


(Tetrahymena
thermophila)
PF05028
(PARG_cat)
4 ILE A  94
PHE A  86
LEU A  54
LEU A  50
None
0.81A 2w98B-4eppA:
undetectable
2w98B-4eppA:
21.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4esa HEMOGLOBIN ALPHA
CHAIN


(Eleginops
maclovinus)
PF00042
(Globin)
4 ILE A  24
LEU A  13
VAL A  10
LEU A 126
None
0.90A 2w98B-4esaA:
undetectable
2w98B-4esaA:
19.38
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.
4fai CG5976, ISOFORM B

(Drosophila
melanogaster)
PF04389
(Peptidase_M28)
4 ILE A 251
TYR A 280
LEU A 230
LEU A 227
None
0.89A 2w98B-4faiA:
undetectable
2w98B-4faiA:
19.21
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.
4gbj 6-PHOSPHOGLUCONATE
DEHYDROGENASE
NAD-BINDING


(Dyadobacter
fermentans)
PF03446
(NAD_binding_2)
PF14833
(NAD_binding_11)
4 ILE A 146
PHE A 153
TYR A 115
VAL A  65
None
0.75A 2w98B-4gbjA:
5.9
2w98B-4gbjA:
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.
4gdz UNCHARACTERIZED
PROTEIN


(Bacteroides
eggerthii)
PF14059
(DUF4251)
4 ILE A 127
PHE A  68
VAL A 165
LEU A 154
GOL  A 201 (-3.7A)
None
None
None
0.82A 2w98B-4gdzA:
undetectable
2w98B-4gdzA:
18.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4hfn ALLYL ALCOHOL
DEHYDROGENASE


(Nicotiana
tabacum)
PF00107
(ADH_zinc_N)
PF16884
(ADH_N_2)
4 TYR A  55
TYR A 258
LEU A 283
VAL A 284
CIY  A 401 (-4.5A)
NAP  A 400 ( 4.3A)
NAP  A 400 ( 4.3A)
NAP  A 400 (-3.6A)
0.52A 2w98B-4hfnA:
43.6
2w98B-4hfnA:
35.48
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.
4hl0 GALECTIN

(Toxascaris
leonina)
PF00337
(Gal-bind_lectin)
4 ILE A 180
TYR A 150
LEU A 154
LEU A 159
None
0.79A 2w98B-4hl0A:
undetectable
2w98B-4hl0A:
22.47
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.
4isb LONG CHAIN FATTY
ACID COA LIGASE
FADD10


(Mycobacterium
tuberculosis)
PF00501
(AMP-binding)
PF13193
(AMP-binding_C)
4 ILE A 255
LEU A 266
VAL A 267
LEU A 270
None
0.75A 2w98B-4isbA:
3.3
2w98B-4isbA:
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.
4j1g NUCLEOCAPSID

(Leanyer virus)
PF00952
(Bunya_nucleocap)
4 TYR A  33
ILE A  93
TYR A  26
LEU A 102
None
0.90A 2w98B-4j1gA:
undetectable
2w98B-4j1gA:
19.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jkl BETA-GLUCURONIDASE

(Streptococcus
agalactiae)
PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
4 TYR A 502
TYR A 465
LEU A 485
LEU A 540
None
0.87A 2w98B-4jklA:
undetectable
2w98B-4jklA:
20.03
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.
4ld7 DIMETHYLALLYL
TRYPTOPHAN SYNTHASE


(Aspergillus
fischeri)
PF11991
(Trp_DMAT)
4 PHE A  78
LEU A 150
VAL A 149
LEU A 153
None
0.78A 2w98B-4ld7A:
undetectable
2w98B-4ld7A:
23.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4lqx TENA/THI-4
DOMAIN-CONTAINING
PROTEIN


(Sulfolobus
solfataricus)
PF03070
(TENA_THI-4)
PF16293
(zf-C2H2_9)
4 ILE A  86
PHE A  73
TYR A 100
LEU A 209
None
None
UNL  A 402 ( 4.5A)
None
0.87A 2w98B-4lqxA:
undetectable
2w98B-4lqxA:
21.17
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.
4lqz UNCHARACTERIZED
PROTEIN


(Staphylococcus
aureus)
PF16253
(DUF4909)
4 TYR A 110
ILE A  80
PHE A  94
LEU A 154
None
0.83A 2w98B-4lqzA:
undetectable
2w98B-4lqzA:
15.49
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.
4mk0 BETA-ADRENERGIC
RECEPTOR KINASE 1


(Homo sapiens)
PF00069
(Pkinase)
PF00169
(PH)
PF00615
(RGS)
4 TYR A  86
ILE A 153
PHE A  59
TYR A 112
None
0.83A 2w98B-4mk0A:
undetectable
2w98B-4mk0A:
19.72
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.
4mo9 PERIPLASMIC BINDING
PROTEIN


(Veillonella
parvula)
PF01497
(Peripla_BP_2)
4 TYR A 200
ILE A 233
VAL A 302
LEU A 299
None
0.88A 2w98B-4mo9A:
undetectable
2w98B-4mo9A:
19.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4noi DNA-DIRECTED RNA
POLYMERASE SUBUNIT
ALPHA


(Campylobacter
jejuni)
PF01000
(RNA_pol_A_bac)
PF01193
(RNA_pol_L)
4 ILE A 111
PHE A 141
LEU A  88
LEU A  85
None
0.85A 2w98B-4noiA:
undetectable
2w98B-4noiA:
21.90
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.
4oon PENICILLIN-BINDING
PROTEIN 1A


(Pseudomonas
aeruginosa)
PF00905
(Transpeptidase)
PF00912
(Transgly)
PF17092
(PCB_OB)
4 ILE A 541
LEU A 529
VAL A 528
LEU A 532
None
0.87A 2w98B-4oonA:
undetectable
2w98B-4oonA:
19.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rae HISTIDINOL-PHOSPHATE
AMINOTRANSFERASE


(Mycobacterium
tuberculosis)
PF00155
(Aminotran_1_2)
4 ILE A 365
PHE A 358
VAL A 306
LEU A 299
None
0.87A 2w98B-4raeA:
2.6
2w98B-4raeA:
21.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wai COMF OPERON PROTEIN
2


(Bacillus
subtilis)
PF10719
(ComFB)
4 ILE A   8
TYR A  46
LEU A  39
LEU A  35
None
0.76A 2w98B-4waiA:
undetectable
2w98B-4waiA:
17.03
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.
4wcx BIOTIN AND THIAMIN
SYNTHESIS ASSOCIATED


(Thermoanaerobacter
italicus)
PF04055
(Radical_SAM)
PF06968
(BATS)
4 ILE A 441
PHE A 466
LEU A 454
LEU A 412
None
0.91A 2w98B-4wcxA:
undetectable
2w98B-4wcxA:
20.20
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4wgg DOUBLE BOND
REDUCTASE


(Zingiber
officinale)
PF00107
(ADH_zinc_N)
PF16884
(ADH_N_2)
4 TYR A  61
TYR A 265
LEU A 290
VAL A 291
CIY  A 401 (-4.4A)
CIY  A 401 ( 4.0A)
CIY  A 401 ( 4.0A)
CIY  A 401 ( 3.3A)
0.63A 2w98B-4wggA:
44.5
2w98B-4wggA:
34.43
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.
4wk0 INTEGRIN BETA-1

(Homo sapiens)
PF00362
(Integrin_beta)
PF17205
(PSI_integrin)
4 ILE B 375
PHE B 111
LEU B 438
LEU B 101
None
0.63A 2w98B-4wk0B:
undetectable
2w98B-4wk0B:
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.
4x8k RNA POLYMERASE SIGMA
FACTOR SIGA
RNA
POLYMERASE-BINDING
PROTEIN RBPA


(Mycobacterium
tuberculosis)
PF00140
(Sigma70_r1_2)
PF04542
(Sigma70_r2)
PF13397
(RbpA)
4 TYR A 337
TYR A 341
TYR A 346
LEU B  85
None
0.82A 2w98B-4x8kA:
undetectable
2w98B-4x8kA:
17.40
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.
4yjw DUF3829 FAMILY
PROTEIN


(Bacteroides
vulgatus)
no annotation 4 TYR A 134
ILE A 151
LEU A  79
VAL A  76
None
0.83A 2w98B-4yjwA:
undetectable
2w98B-4yjwA:
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.
5a6d DNA POLYMERASE
SLIDING CLAMP


(Thermococcus
gammatolerans)
PF00705
(PCNA_N)
PF02747
(PCNA_C)
4 ILE A 145
TYR A 199
LEU A 219
VAL A 134
None
0.90A 2w98B-5a6dA:
undetectable
2w98B-5a6dA:
21.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5a8r METHYL-COENZYME M
REDUCTASE II SUBUNIT
ALPHA


(Methanothermobacter
marburgensis)
PF02249
(MCR_alpha)
PF02745
(MCR_alpha_N)
5 ILE A 239
TYR A 135
LEU A 119
VAL A 118
LEU A 123
None
1.23A 2w98B-5a8rA:
undetectable
2w98B-5a8rA:
21.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5a8r METHYL-COENZYME M
REDUCTASE II,
SUBUNIT BETA


(Methanothermobacter
marburgensis)
PF02240
(MCR_gamma)
4 ILE C 126
PHE C  90
LEU C  43
VAL C  42
None
0.89A 2w98B-5a8rC:
undetectable
2w98B-5a8rC:
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.
5csc CITRATE SYNTHASE

(Gallus gallus)
PF00285
(Citrate_synt)
4 TYR B 231
LEU B 282
VAL B 281
LEU B 285
None
0.88A 2w98B-5cscB:
undetectable
2w98B-5cscB:
20.84
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.
5d68 KREV INTERACTION
TRAPPED PROTEIN 1


(Homo sapiens)
PF00373
(FERM_M)
PF13857
(Ank_5)
4 PHE A 708
TYR A 683
VAL A 660
LEU A 669
None
0.80A 2w98B-5d68A:
undetectable
2w98B-5d68A:
21.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5diy HYALURONIDASE

(Thermobaculum
terrenum)
PF07555
(NAGidase)
4 TYR A  90
PHE A 118
VAL A 148
LEU A 145
None
0.89A 2w98B-5diyA:
undetectable
2w98B-5diyA:
20.75
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.
5gxv MALTOSE-BINDING
PERIPLASMIC
PROTEIN,PIGG


(Escherichia
coli;
Serratia)
PF13416
(SBP_bac_8)
4 PHE A 437
LEU A 450
VAL A 447
LEU A 446
None
0.88A 2w98B-5gxvA:
undetectable
2w98B-5gxvA:
21.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hxs SODIUM,CALCIUM
EXCHANGER


(Methanocaldococcus
jannaschii)
PF01699
(Na_Ca_ex)
4 PHE A 207
LEU A  88
VAL A  85
LEU A  84
MYS  A 403 (-4.2A)
None
None
None
0.74A 2w98B-5hxsA:
undetectable
2w98B-5hxsA:
20.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5i6v TYROSINE-PROTEIN
PHOSPHATASE
NON-RECEPTOR TYPE 11


(Homo sapiens)
PF00017
(SH2)
PF00102
(Y_phosphatase)
4 TYR A 515
ILE A 226
VAL A 471
LEU A 475
None
0.83A 2w98B-5i6vA:
undetectable
2w98B-5i6vA:
20.95
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.
5ip9 DNA-DIRECTED RNA
POLYMERASES I, II,
AND III SUBUNIT
RPABC3


(Saccharomyces
cerevisiae)
PF03870
(RNA_pol_Rpb8)
4 ILE H  59
PHE H 118
LEU H  38
LEU H  40
None
0.81A 2w98B-5ip9H:
undetectable
2w98B-5ip9H:
17.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5j5u RAGB/SUSD DOMAIN
PROTEIN


(Flavobacterium
johnsoniae)
PF12771
(SusD-like_2)
4 ILE A 342
TYR A 396
LEU A 268
LEU A  60
None
0.89A 2w98B-5j5uA:
undetectable
2w98B-5j5uA:
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.
5kei 2,3-DIHYDROXYBENZOAT
E-AMP LIGASE


(Mycolicibacterium
smegmatis)
PF00501
(AMP-binding)
PF13193
(AMP-binding_C)
4 TYR A 249
LEU A 301
VAL A 302
LEU A 305
None
0.91A 2w98B-5keiA:
3.4
2w98B-5keiA:
19.93
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.
5lvc VP1

(Aichivirus A)
no annotation 4 ILE a 170
PHE a 220
LEU a  81
LEU a  93
None
0.84A 2w98B-5lvca:
undetectable
2w98B-5lvca:
20.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mpt CITRININ POLYKETIDE
SYNTHASE


(Monascus
purpureus)
PF08242
(Methyltransf_12)
4 ILE A1988
PHE A2088
LEU A1979
LEU A1790
None
0.85A 2w98B-5mptA:
6.0
2w98B-5mptA:
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.
5mru TETRACYCLINE
REPRESSOR, CLASS A


(Pseudomonas sp.)
no annotation 4 ILE A  10
LEU A  25
VAL A  22
LEU A  17
None
0.79A 2w98B-5mruA:
undetectable
2w98B-5mruA:
14.47
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.
5n28 METHYL-COENZYME M
REDUCTASE SUBUNIT
ALPHA


(Methanotorris
formicicus)
PF02249
(MCR_alpha)
PF02745
(MCR_alpha_N)
5 ILE A 239
TYR A 135
LEU A 119
VAL A 118
LEU A 123
None
1.29A 2w98B-5n28A:
undetectable
2w98B-5n28A:
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.
5nnb ISATIN HYDROLASE A

(Labrenzia
aggregata)
no annotation 4 ILE A 235
LEU A  11
VAL A   8
LEU A   7
None
0.82A 2w98B-5nnbA:
undetectable
2w98B-5nnbA:
11.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5oqr CONDENSIN COMPLEX
SUBUNIT 3


(Schizosaccharomyces
pombe)
no annotation 4 ILE A  85
LEU A  58
VAL A  57
LEU A  61
None
0.84A 2w98B-5oqrA:
undetectable
2w98B-5oqrA:
18.29
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.
5wix P-47 PROTEIN

(Clostridium
botulinum)
no annotation 4 ILE A 282
PHE A 248
TYR A 269
LEU A 374
None
0.81A 2w98B-5wixA:
undetectable
2w98B-5wixA:
22.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5y5a KLLA0F20702P

(Kluyveromyces
lactis)
no annotation 4 ILE A 439
LEU A 570
VAL A 567
LEU A 456
None
0.89A 2w98B-5y5aA:
undetectable
2w98B-5y5aA:
12.61
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.
5yqw PEPTIDE ABC
TRANSPORTER,
PERIPLASMIC
PEPTIDE-BINDING
PROTEIN


(Vibrio harveyi)
no annotation 4 PHE A 287
TYR A 394
VAL A 483
LEU A 484
None
0.87A 2w98B-5yqwA:
undetectable
2w98B-5yqwA:
13.41