SIMILAR PATTERNS OF AMINO ACIDS FOR 3WQW_A_GCSA502

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.
1aso ASCORBATE OXIDASE

(Cucurbita pepo) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		4 GLY A 524
TRP A 503
ALA A 522
PHE A 495
 None
 1.47A 3wqwA-1asoA:
0.0		 3wqwA-1asoA:
20.67
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.
1h04 COMPLEMENT
DECAY-ACCELERATING
FACTOR

(Homo sapiens) 		PF00084
(Sushi) 		4 TRP P  57
GLY P  23
ALA P  28
PHE P  32
 None
 1.41A 3wqwA-1h04P:
0.0		 3wqwA-1h04P:
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.
1hlg LIPASE, GASTRIC

(Homo sapiens) 		PF00561
(Abhydrolase_1) 		4 GLY A  97
TRP A  74
ALA A  71
PHE A  85
 None
 1.45A 3wqwA-1hlgA:
2.1		 3wqwA-1hlgA:
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.
1kt1 FK506-BINDING
PROTEIN FKBP51

(Saimiri
boliviensis) 		PF00254
(FKBP_C)
PF00515
(TPR_1)
PF13181
(TPR_8) 		4 GLY A  93
TRP A  90
ALA A  89
PHE A 129
 None
 0.94A 3wqwA-1kt1A:
0.0		 3wqwA-1kt1A:
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.
1lzk HEROIN ESTERASE

(Rhodococcus sp.) 		PF07859
(Abhydrolase_3) 		4 TRP A 218
GLY A 163
ALA A 161
PHE A 126
 None
None
CAC  A 500 (-3.2A)
None
 1.47A 3wqwA-1lzkA:
0.6		 3wqwA-1lzkA:
23.61
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.
1mfa IGG1-LAMBDA SE155-4
FAB (LIGHT CHAIN)

(Mus musculus) 		PF07686
(V-set) 		4 TRP L  98
GLY L  51
ALA L  35
PHE L 100
 ABE  H 503 (-3.9A)
None
None
None
 1.36A 3wqwA-1mfaL:
0.0		 3wqwA-1mfaL:
16.24
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.
1mpo MALTOPORIN

(Escherichia
coli) 		PF02264
(LamB) 		4 TRP A 411
GLY A 414
ALA A 367
PHE A  23
 None
 1.37A 3wqwA-1mpoA:
undetectable		 3wqwA-1mpoA:
22.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1n9b BETA-LACTAMASE SHV-2

(Klebsiella
pneumoniae) 		PF13354
(Beta-lactamase2) 		4 TRP A 165
GLY A 143
ALA A 146
PHE A  72
 None
 1.14A 3wqwA-1n9bA:
0.0		 3wqwA-1n9bA:
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.
1u6l HYPOTHETICAL PROTEIN

(Pseudomonas
aeruginosa) 		PF06983
(3-dmu-9_3-mt) 		4 GLY A 128
TRP A 131
ALA A 130
PHE A  98
 None
 1.35A 3wqwA-1u6lA:
0.0		 3wqwA-1u6lA:
19.07
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.
1vl2 ARGININOSUCCINATE
SYNTHASE

(Thermotoga
maritima) 		PF00764
(Arginosuc_synth) 		4 TRP A 324
GLY A  88
ALA A  90
PHE A 315
 None
 1.14A 3wqwA-1vl2A:
undetectable		 3wqwA-1vl2A:
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.
1yyr TRICHODIENE SYNTHASE

(Fusarium
sporotrichioides) 		PF06330
(TRI5) 		4 GLY A 192
TRP A 196
ALA A 193
PHE A 207
 None
 1.35A 3wqwA-1yyrA:
undetectable		 3wqwA-1yyrA:
21.25
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.
1zr6 GLUCOOLIGOSACCHARIDE
OXIDASE

(Sarocladium
strictum) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		4 TRP A 183
GLY A 446
ALA A 375
PHE A 192
 None
 1.18A 3wqwA-1zr6A:
undetectable		 3wqwA-1zr6A:
22.94
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.
2b61 HOMOSERINE
O-ACETYLTRANSFERASE

(Haemophilus
influenzae) 		PF00561
(Abhydrolase_1) 		4 TRP A  65
GLY A 145
ALA A  48
PHE A 347
 None
 1.47A 3wqwA-2b61A:
undetectable		 3wqwA-2b61A:
22.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2kpz E3 UBIQUITIN-PROTEIN
LIGASE NEDD4

(Homo sapiens) 		PF00397
(WW) 		4 TRP A  39
GLY A  25
ALA A  22
PHE A  29
 None
 1.31A 3wqwA-2kpzA:
undetectable		 3wqwA-2kpzA:
9.41
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.
2mpr MALTOPORIN

(Salmonella
enterica) 		PF02264
(LamB) 		4 TRP A 417
GLY A 420
ALA A 377
PHE A  23
 None
 1.39A 3wqwA-2mprA:
undetectable		 3wqwA-2mprA:
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.
2ri6 2-HYDROXY-6-OXO-6-PH
ENYLHEXA-2,4-DIENOAT
E HYDROLASE

(Paraburkholderia
xenovorans) 		PF12697
(Abhydrolase_6) 		4 TRP A 216
GLY A  41
ALA A 112
PHE A 157
 None
MLI  A   2 (-3.5A)
MLI  A   2 (-3.2A)
None
 1.45A 3wqwA-2ri6A:
undetectable		 3wqwA-2ri6A:
21.48
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.
2vmf BETA-MANNOSIDASE

(Bacteroides
thetaiotaomicron) 		PF00703
(Glyco_hydro_2) 		4 TRP A 417
GLY A 641
ALA A 357
PHE A 508
 None
 1.19A 3wqwA-2vmfA:
4.1		 3wqwA-2vmfA:
19.10
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.
2voy SARCOPLASMIC/ENDOPLA
SMIC RETICULUM
CALCIUM ATPASE 1

(Oryctolagus
cuniculus) 		PF00690
(Cation_ATPase_N)
no annotation 		4 TRP C 967
GLY D 850
TRP D 854
ALA B  76
 None
 1.40A 3wqwA-2voyC:
undetectable		 3wqwA-2voyC:
4.92
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.
2yys PROLINE
IMINOPEPTIDASE-RELAT
ED PROTEIN

(Thermus
thermophilus) 		PF12697
(Abhydrolase_6) 		4 TRP A 258
GLY A 103
ALA A 126
PHE A 269
 None
 1.00A 3wqwA-2yysA:
undetectable		 3wqwA-2yysA:
22.08
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.
2zai OLIGOSACCHARYL
TRANSFERASE STT3
SUBUNIT RELATED
PROTEIN

(Pyrococcus
furiosus) 		no annotation 4 TRP A 511
GLY A 582
ALA A 547
PHE A 565
 None
 1.29A 3wqwA-2zaiA:
undetectable		 3wqwA-2zaiA:
21.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3a1f CYTOCHROME B-245
HEAVY CHAIN

(Homo sapiens) 		PF08030
(NAD_binding_6) 		4 TRP A 132
GLY A  24
TRP A  59
ALA A  25
 None
 1.31A 3wqwA-3a1fA:
undetectable		 3wqwA-3a1fA:
20.39
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.
3h7l ENDOGLUCANASE

(Vibrio
parahaemolyticus) 		PF00759
(Glyco_hydro_9)
PF02927
(CelD_N) 		4 GLY A 447
TRP A 555
ALA A 444
PHE A 107
 None
 1.23A 3wqwA-3h7lA:
undetectable		 3wqwA-3h7lA:
23.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hxg EUKARYOTIC
TRANSLATION
INITIATION FACTOR 4E

(Schistosoma
mansoni) 		PF01652
(IF4E) 		4 GLY A 137
TRP A 152
ALA A 138
PHE A 181
 None
 1.31A 3wqwA-3hxgA:
undetectable		 3wqwA-3hxgA:
17.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ibh SACCHAROMYCES
CEREVISIAE GTT2

(Saccharomyces
cerevisiae) 		PF00043
(GST_C)
PF13417
(GST_N_3) 		4 TRP A 212
GLY A 191
ALA A 120
PHE A 181
 None
 1.37A 3wqwA-3ibhA:
undetectable		 3wqwA-3ibhA:
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.
3o5d PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP5

(Homo sapiens) 		PF00254
(FKBP_C) 		4 GLY A  93
TRP A  90
ALA A  89
PHE A 129
 None
 0.98A 3wqwA-3o5dA:
undetectable		 3wqwA-3o5dA:
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.
3o5e PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP5

(Homo sapiens) 		PF00254
(FKBP_C) 		4 GLY A  93
TRP A  90
ALA A  89
PHE A 129
 None
 0.96A 3wqwA-3o5eA:
undetectable		 3wqwA-3o5eA:
15.76
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.
3o98 BIFUNCTIONAL
GLUTATHIONYLSPERMIDI
NE
SYNTHETASE/AMIDASE

(Escherichia
coli) 		PF03738
(GSP_synth)
PF05257
(CHAP) 		4 GLY A 371
TRP A 373
ALA A 406
PHE A 398
 None
 1.21A 3wqwA-3o98A:
undetectable		 3wqwA-3o98A:
19.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3oaj PUTATIVE
RING-CLEAVING
DIOXYGENASE MHQO

(Bacillus
subtilis) 		PF00903
(Glyoxalase) 		4 TRP A 232
GLY A 176
ALA A   3
PHE A 257
 None
 1.32A 3wqwA-3oajA:
undetectable		 3wqwA-3oajA:
21.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pua PHD FINGER PROTEIN 2

(Homo sapiens) 		PF02373
(JmjC) 		4 TRP A 217
GLY A 374
TRP A 371
PHE A 366
 None
 1.48A 3wqwA-3puaA:
undetectable		 3wqwA-3puaA:
21.16
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.
3qka ENOYL-COA HYDRATASE,
ECHA5

(Mycobacterium
marinum) 		PF00378
(ECH_1) 		4 TRP A 133
GLY A 108
ALA A  62
PHE A  69
 None
 1.13A 3wqwA-3qkaA:
undetectable		 3wqwA-3qkaA:
20.10
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.
3qnq PTS SYSTEM,
CELLOBIOSE-SPECIFIC
IIC COMPONENT

(Bacillus cereus) 		PF02378
(PTS_EIIC) 		4 GLY A 233
TRP A 263
ALA A 229
PHE A 147
 None
 1.07A 3wqwA-3qnqA:
undetectable		 3wqwA-3qnqA:
22.25
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.
3tnl SHIKIMATE
DEHYDROGENASE

(Listeria
monocytogenes) 		PF08501
(Shikimate_dh_N) 		4 GLY A 116
TRP A 267
ALA A 120
PHE A 291
 None
 0.92A 3wqwA-3tnlA:
undetectable		 3wqwA-3tnlA:
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.
3vbo GENOME POLYPROTEIN,
CAPSID PROTEIN VP2

(Enterovirus A) 		PF00073
(Rhv) 		4 GLY B 223
TRP B 149
ALA B 224
PHE B 175
 None
 1.25A 3wqwA-3vboB:
undetectable		 3wqwA-3vboB:
22.43
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.
3vu1 PUTATIVE
UNCHARACTERIZED
PROTEIN PH0242

(Pyrococcus
horikoshii) 		no annotation 4 TRP A 513
GLY A 584
ALA A 549
PHE A 567
 None
 1.24A 3wqwA-3vu1A:
undetectable		 3wqwA-3vu1A:
21.12
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.
3w4q BETA-LACTAMASE

(Burkholderia
multivorans) 		PF13354
(Beta-lactamase2) 		4 TRP A 165
GLY A 143
ALA A 146
PHE A  72
 None
 1.19A 3wqwA-3w4qA:
undetectable		 3wqwA-3w4qA:
20.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3w4r CHITINASE

(Ostrinia
furnacalis) 		PF00704
(Glyco_hydro_18) 		5 TRP A  34
GLY A 106
TRP A 107
ALA A 108
PHE A 309
 None
 0.21A 3wqwA-3w4rA:
70.2		 3wqwA-3w4rA:
72.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3wl1 CHITINASE

(Ostrinia
furnacalis) 		PF00704
(Glyco_hydro_18) 		5 TRP A  34
GLY A 106
TRP A 107
ALA A 108
PHE A 309
 NAG  A 503 ( 4.0A)
NAG  A 501 (-3.6A)
NAG  A 505 ( 3.4A)
NAG  A 502 (-3.4A)
NAG  A 502 (-3.3A)
 0.79A 3wqwA-3wl1A:
70.5		 3wqwA-3wl1A:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wov OLIGOSACCHARYL
TRANSFERASE

(Pyrococcus
abyssi) 		no annotation 4 TRP A 514
GLY A 585
ALA A 550
PHE A 568
 None
 1.23A 3wqwA-3wovA:
undetectable		 3wqwA-3wovA:
22.18
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.
3zdn MONOAMINE OXIDASE N

(Aspergillus
niger) 		PF01593
(Amino_oxidase) 		4 TRP A 463
GLY A 235
TRP A 231
ALA A 232
 None
 1.37A 3wqwA-3zdnA:
undetectable		 3wqwA-3zdnA:
21.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zjl PROTOGLOBIN

(Methanosarcina
acetivorans) 		PF11563
(Protoglobin) 		4 TRP A 174
GLY A  46
ALA A  45
PHE A  34
 None
 1.40A 3wqwA-3zjlA:
undetectable		 3wqwA-3zjlA:
20.31
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.
4b1l LEVANASE

(Bacillus
subtilis) 		PF06439
(DUF1080) 		4 TRP A 532
GLY A 575
ALA A 668
PHE A 518
 None
 1.06A 3wqwA-4b1lA:
undetectable		 3wqwA-4b1lA:
17.57
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.
4gky PROTEIN ERGIC-53

(Homo sapiens) 		PF03388
(Lectin_leg-like) 		4 TRP A  94
GLY A 148
ALA A 124
PHE A 262
 None
 1.11A 3wqwA-4gkyA:
undetectable		 3wqwA-4gkyA:
22.11
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.
4r9v SIALYLTRANSFERASE
0160

(Photobacterium
damselae) 		PF11477
(PM0188) 		4 GLY A 363
TRP A 361
ALA A 362
PHE A 495
 None
 1.24A 3wqwA-4r9vA:
undetectable		 3wqwA-4r9vA:
18.16
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.
4tma DNA GYRASE SUBUNIT B

(Escherichia
coli) 		PF00986
(DNA_gyraseB_C)
PF01751
(Toprim) 		4 TRP B 725
GLY B 710
ALA B 564
PHE B 706
 None
 1.13A 3wqwA-4tmaB:
undetectable		 3wqwA-4tmaB:
22.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4txg CHITINASE

(Chromobacterium
violaceum) 		PF00704
(Glyco_hydro_18)
PF06483
(ChiC) 		4 TRP A 163
GLY A 254
TRP A 255
ALA A 256
 None
 0.54A 3wqwA-4txgA:
34.7		 3wqwA-4txgA:
22.28
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.
4tz5 PUTATIVE SECRETED
PROTEIN

(Streptomyces
sp. SirexAA-E) 		no annotation 4 TRP A 153
GLY A 451
ALA A 422
PHE A 117
 None
 1.32A 3wqwA-4tz5A:
undetectable		 3wqwA-4tz5A:
21.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4us4 TRANSPORTER

(Bacillus
halodurans) 		PF00209
(SNF) 		4 TRP A  33
GLY A 109
ALA A 112
PHE A 139
 None
 1.29A 3wqwA-4us4A:
undetectable		 3wqwA-4us4A:
21.40
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.
4wva UNCHARACTERIZED
PROTEIN

(Thermus
thermophilus) 		PF01204
(Trehalase) 		4 TRP A  32
GLY A  26
ALA A  24
PHE A  20
 TRS  A 501 (-4.5A)
None
None
None
 1.20A 3wqwA-4wvaA:
undetectable		 3wqwA-4wvaA:
22.58
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.
4xhf NA-TRANSLOCATING
NADH-QUINONE
REDUCTASE SUBUNIT C
NQRC

(Shewanella
oneidensis) 		PF04205
(FMN_bind) 		4 GLY A 142
TRP A 238
ALA A 112
PHE A 201
 None
 1.42A 3wqwA-4xhfA:
undetectable		 3wqwA-4xhfA:
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.
4xuv GLYCOSIDE HYDROLASE
FAMILY 105 PROTEIN

(Thielavia
terrestris) 		PF07470
(Glyco_hydro_88) 		4 TRP A  52
GLY A  90
ALA A  89
PHE A  83
 None
 1.49A 3wqwA-4xuvA:
undetectable		 3wqwA-4xuvA:
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.
4yvs CAPSID PROTEIN VP0

(Enterovirus A) 		PF00073
(Rhv) 		4 GLY C 154
TRP C  80
ALA C 155
PHE C 106
 None
 1.30A 3wqwA-4yvsC:
undetectable		 3wqwA-4yvsC:
22.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5e43 BETA-LACTAMASE

(Streptosporangium
roseum) 		PF13354
(Beta-lactamase2) 		4 TRP A 166
GLY A 144
ALA A 147
PHE A  72
 NO3  A 309 (-4.9A)
NO3  A 309 (-3.4A)
None
None
 1.20A 3wqwA-5e43A:
undetectable		 3wqwA-5e43A:
22.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5e5o I-SMAMI LAGLIDADG
ENDONUCLEASE

(Sordaria
macrospora) 		PF00961
(LAGLIDADG_1) 		4 GLY A 174
TRP A 171
ALA A  12
PHE A  94
 None
 1.34A 3wqwA-5e5oA:
undetectable		 3wqwA-5e5oA:
22.81
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.
5kom PUTATIVE FLUORIDE
ION TRANSPORTER CRCB

(Escherichia
coli) 		PF02537
(CRCB) 		4 TRP A  65
GLY A  11
ALA A   7
PHE A  55
 None
 1.11A 3wqwA-5komA:
undetectable		 3wqwA-5komA:
17.68
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.
5l94 CYTOCHROME P450

(Bacillus
megaterium) 		PF00067
(p450) 		4 TRP A 111
GLY A 152
ALA A 148
PHE A 103
 None
 1.48A 3wqwA-5l94A:
undetectable		 3wqwA-5l94A:
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.
5me6 EUKARYOTIC
TRANSCRIPTION
INITIATION FACTOR 4E

(Cucumis melo) 		PF01652
(IF4E) 		4 GLY A 172
TRP A 187
ALA A 173
PHE A 216
 GLY  A 172 ( 0.0A)
TRP  A 187 (-0.5A)
ALA  A 173 ( 0.0A)
PHE  A 216 ( 1.3A)
 1.26A 3wqwA-5me6A:
undetectable		 3wqwA-5me6A:
19.58
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.
5nd7 KINESIN-LIKE PROTEIN
KIF20A

(Mus musculus) 		PF00225
(Kinesin) 		4 TRP C 355
GLY C 171
ALA C 176
PHE C 383
 None
 1.50A 3wqwA-5nd7C:
undetectable		 3wqwA-5nd7C:
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.
5tbf TRANSLATION
ELONGATION FACTOR

(Vibrio cholerae) 		PF11826
(DUF3346) 		4 GLY A 183
TRP A 181
ALA A 182
PHE A 363
 None
 1.42A 3wqwA-5tbfA:
undetectable		 3wqwA-5tbfA:
19.90
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.
5tbk IMPORTIN SUBUNIT
ALPHA-3

(Homo sapiens) 		PF00514
(Arm)
PF01749
(IBB)
PF16186
(Arm_3) 		4 GLY A 182
TRP A 179
ALA A 180
PHE A 216
 None
 1.38A 3wqwA-5tbkA:
undetectable		 3wqwA-5tbkA:
21.24
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.
5uqr 2-METHYLCITRATE
SYNTHASE,
MITOCHONDRIAL

(Aspergillus
fumigatus) 		no annotation 4 TRP A 237
GLY A 267
ALA A 264
PHE A 138
 None
 0.99A 3wqwA-5uqrA:
undetectable		 3wqwA-5uqrA:
13.32
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.
5w8o HOMOSERINE
O-ACETYLTRANSFERASE

(Mycolicibacterium
hassiacum) 		PF00561
(Abhydrolase_1) 		4 TRP A  80
GLY A 159
ALA A  59
PHE A 317
 None
 0.95A 3wqwA-5w8oA:
undetectable		 3wqwA-5w8oA:
19.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wvb CHITINASE

(Ostrinia
furnacalis) 		no annotation 4 TRP A 102
GLY A 175
TRP A 176
PHE A 373
 NAG  A 506 ( 4.3A)
NAG  A 504 (-3.7A)
NAG  A 503 (-3.3A)
NAG  A 505 (-3.5A)
 0.95A 3wqwA-5wvbA:
54.5		 3wqwA-5wvbA:
10.03
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.
5wvg CHITINASE

(Ostrinia
furnacalis) 		no annotation 5 TRP A 538
GLY A 605
TRP A 606
ALA A 607
PHE A 803
 NAG  A1001 (-4.0A)
NAG  A1003 (-3.5A)
NAG  A1004 (-3.4A)
NAG  A1002 (-3.3A)
NAG  A1002 (-3.3A)
 0.92A 3wqwA-5wvgA:
54.3		 3wqwA-5wvgA:
14.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5y29 INSECT GROUP II
CHITINASE

(Ostrinia
furnacalis) 		no annotation 4 TRP A1621
GLY A1690
TRP A1691
PHE A1899
 None
 0.59A 3wqwA-5y29A:
55.2		 3wqwA-5y29A:
12.85
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.
5y2a INSECT GROUP II
CHITINASE

(Ostrinia
furnacalis) 		no annotation 4 TRP A2067
GLY A2137
TRP A2138
PHE A2336
 None
 0.71A 3wqwA-5y2aA:
55.4		 3wqwA-5y2aA:
14.88
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.
5yqw PEPTIDE ABC
TRANSPORTER,
PERIPLASMIC
PEPTIDE-BINDING
PROTEIN

(Vibrio harveyi) 		no annotation 4 GLY A 515
TRP A 513
ALA A 514
PHE A 391
 None
CBS  A 604 (-3.8A)
None
None
 1.13A 3wqwA-5yqwA:
undetectable		 3wqwA-5yqwA:
13.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5z03 MUREIN TETRAPEPTIDE
CARBOXYPEPTIDASE

(Escherichia
coli) 		no annotation 4 TRP A 147
GLY A  30
ALA A  29
PHE A 133
 None
 1.39A 3wqwA-5z03A:
undetectable		 3wqwA-5z03A:
11.55
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.
5z9s GLYCOSYL HYDROLASE
FAMILY 3 PROTEIN

(Bifidobacterium
longum) 		no annotation 4 TRP A 594
GLY A 165
TRP A 120
ALA A 117
 None
 1.34A 3wqwA-5z9sA:
1.1		 3wqwA-5z9sA:
14.04
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.
5zmy -

(-) 		no annotation 4 GLY A 137
TRP A 184
ALA A 135
PHE A 209
 None
TAR  A 401 (-4.7A)
None
None
 1.28A 3wqwA-5zmyA:
6.1		 3wqwA-5zmyA:
undetectable