SIMILAR PATTERNS OF AMINO ACIDS FOR 2W98_B_P1ZB1358

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.
1cc1 HYDROGENASE (LARGE
SUBUNIT)

(Desulfomicrobium
baculatum) 		PF00374
(NiFeSe_Hases) 		4 ASP L 124
TYR L 118
PHE L 134
LEU L 162
 None
 0.99A 2w98A-1cc1L:
undetectable
2w98B-1cc1L:
undetectable		 2w98A-1cc1L:
20.66
2w98B-1cc1L:
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.
1cc1 HYDROGENASE (LARGE
SUBUNIT)

(Desulfomicrobium
baculatum) 		PF00374
(NiFeSe_Hases) 		4 TYR L 125
TYR L 118
PHE L 134
LEU L 162
 None
 1.20A 2w98A-1cc1L:
undetectable
2w98B-1cc1L:
undetectable		 2w98A-1cc1L:
20.66
2w98B-1cc1L:
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.
1cem CELLULASE CELA
(1,4-BETA-D-GLUCAN-G
LUCANOHYDROLASE)

(Ruminiclostridium
thermocellum) 		PF01270
(Glyco_hydro_8) 		4 ASP A 303
TYR A 282
PHE A 309
LEU A 256
 None
 0.96A 2w98A-1cemA:
undetectable
2w98B-1cemA:
undetectable		 2w98A-1cemA:
21.50
2w98B-1cemA:
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.
1dgs DNA LIGASE

(Thermus
filiformis) 		PF01653
(DNA_ligase_aden)
PF03120
(DNA_ligase_OB)
PF12826
(HHH_2)
PF14520
(HHH_5) 		4 ASP A 118
TYR A 171
PHE A 192
LEU A 180
 None
 1.22A 2w98A-1dgsA:
undetectable
2w98B-1dgsA:
undetectable		 2w98A-1dgsA:
20.99
2w98B-1dgsA:
20.99
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.
1eyy ALDEHYDE
DEHYDROGENASE

(Vibrio harveyi) 		PF00171
(Aldedh) 		4 ASP A 415
TYR A 416
PHE A 261
LEU A 426
 None
 1.03A 2w98A-1eyyA:
2.8
2w98B-1eyyA:
4.2		 2w98A-1eyyA:
21.78
2w98B-1eyyA:
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.
1gm5 RECG

(Thermotoga
maritima) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF17190
(RecG_N)
PF17191
(RecG_wedge) 		4 ASP A 745
TYR A 747
PHE A 330
TYR A 326
 None
 1.02A 2w98A-1gm5A:
undetectable
2w98B-1gm5A:
2.7		 2w98A-1gm5A:
18.27
2w98B-1gm5A:
18.27
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.
1hbk ACYL-COA BINDING
PROTEIN

(Plasmodium
falciparum) 		PF00887
(ACBP) 		4 ASP A  88
PHE A  83
TYR A  85
LEU A  15
 None
 1.22A 2w98A-1hbkA:
undetectable
2w98B-1hbkA:
undetectable		 2w98A-1hbkA:
12.32
2w98B-1hbkA:
12.32
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.
1kg0 GP42 PROTEIN

(Human
gammaherpesvirus
4) 		no annotation 4 TYR C 117
TYR C 142
PHE C 129
LEU C 177
 None
 1.18A 2w98A-1kg0C:
undetectable
2w98B-1kg0C:
undetectable		 2w98A-1kg0C:
17.18
2w98B-1kg0C:
17.18
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.
1mqs SLY1 PROTEIN

(Saccharomyces
cerevisiae) 		PF00995
(Sec1) 		4 ASP A 468
TYR A 458
PHE A 435
LEU A 457
 None
 1.20A 2w98A-1mqsA:
4.2
2w98B-1mqsA:
4.7		 2w98A-1mqsA:
19.06
2w98B-1mqsA:
19.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qs8 PLASMEPSIN

(Plasmodium
vivax) 		PF00026
(Asp) 		4 ASP A 214
TYR A 192
PHE A 305
LEU A 197
 None
 1.10A 2w98A-1qs8A:
undetectable
2w98B-1qs8A:
undetectable		 2w98A-1qs8A:
24.41
2w98B-1qs8A:
24.41
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.
1rq1 HYPOTHETICAL 65.0
KDA PROTEIN IN
COX14-COS3
INTERGENIC REGION
PRECURSOR

(Saccharomyces
cerevisiae) 		PF04137
(ERO1) 		4 ASP A 206
TYR A 224
PHE A 336
LEU A 226
 None
 1.13A 2w98A-1rq1A:
undetectable
2w98B-1rq1A:
undetectable		 2w98A-1rq1A:
22.36
2w98B-1rq1A:
22.36
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.
1tdt TETRAHYDRODIPICOLINA
TE-N-SUCCINYLTRANSFE
RASE

(Mycobacterium
bovis) 		PF00132
(Hexapep)
PF14602
(Hexapep_2)
PF14805
(THDPS_N_2) 		4 ASP A 216
TYR A 215
TYR A 224
LEU A 208
 None
 1.04A 2w98A-1tdtA:
undetectable
2w98B-1tdtA:
undetectable		 2w98A-1tdtA:
23.14
2w98B-1tdtA:
23.14
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.
1w4s POLYBROMO 1 PROTEIN

(Gallus gallus) 		PF01426
(BAH) 		4 ASP A 960
TYR A 961
TYR A 963
TYR A 956
 None
 1.23A 2w98A-1w4sA:
undetectable
2w98B-1w4sA:
undetectable		 2w98A-1w4sA:
16.62
2w98B-1w4sA:
16.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1w8j MYOSIN VA

(Gallus gallus) 		PF00063
(Myosin_head) 		4 ASP A 738
PHE A 751
TYR A 742
LEU A 759
 None
 1.21A 2w98A-1w8jA:
undetectable
2w98B-1w8jA:
undetectable		 2w98A-1w8jA:
19.10
2w98B-1w8jA:
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.
1xg2 PECTINESTERASE 1

(Solanum
lycopersicum) 		PF01095
(Pectinesterase) 		4 ASP A 145
TYR A 147
PHE A 163
LEU A 168
 None
 1.06A 2w98A-1xg2A:
undetectable
2w98B-1xg2A:
undetectable		 2w98A-1xg2A:
21.83
2w98B-1xg2A:
21.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ybi NON-TOXIN
HAEMAGGLUTININ HA34

(Clostridium
botulinum) 		PF05588
(Botulinum_HA-17)
PF14200
(RicinB_lectin_2) 		4 ASP A  23
TYR A 119
PHE A  28
LEU A 127
 None
 1.19A 2w98A-1ybiA:
undetectable
2w98B-1ybiA:
undetectable		 2w98A-1ybiA:
21.45
2w98B-1ybiA:
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.
2a98 INOSITOL
1,4,5-TRISPHOSPHATE
3-KINASE C

(Homo sapiens) 		PF03770
(IPK) 		4 ASP A 484
TYR A 595
PHE A 552
LEU A 581
 None
 1.04A 2w98A-2a98A:
undetectable
2w98B-2a98A:
undetectable		 2w98A-2a98A:
20.22
2w98B-2a98A:
20.22
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.
2a9c SULFITE OXIDASE

(Gallus gallus) 		PF00174
(Oxidored_molyb)
PF03404
(Mo-co_dimer) 		4 ASP A 156
TYR A 258
PHE A 240
LEU A 219
 None
 0.96A 2w98A-2a9cA:
undetectable
2w98B-2a9cA:
undetectable		 2w98A-2a9cA:
20.44
2w98B-2a9cA:
20.44
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.
2b4v RNA EDITING COMPLEX
PROTEIN MP57

(Trypanosoma
brucei) 		PF01909
(NTP_transf_2)
PF03828
(PAP_assoc) 		4 TYR A 279
TYR A 423
TYR A 319
LEU A 390
 None
 1.04A 2w98A-2b4vA:
undetectable
2w98B-2b4vA:
undetectable		 2w98A-2b4vA:
20.21
2w98B-2b4vA:
20.21
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.
2bju PLASMEPSIN II

(Plasmodium
falciparum) 		PF00026
(Asp) 		4 ASP A 214
TYR A 192
PHE A 305
LEU A 197
 IH4  A1330 (-3.3A)
IH4  A1330 (-4.0A)
None
None
 1.09A 2w98A-2bjuA:
undetectable
2w98B-2bjuA:
undetectable		 2w98A-2bjuA:
21.77
2w98B-2bjuA:
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.
2dfs MYOSIN-5A

(Gallus gallus) 		PF00063
(Myosin_head)
PF00612
(IQ) 		4 ASP A 738
PHE A 751
TYR A 742
LEU A 759
 None
 1.16A 2w98A-2dfsA:
undetectable
2w98B-2dfsA:
undetectable		 2w98A-2dfsA:
14.77
2w98B-2dfsA:
14.77
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.
2g2r GREEN-FLUORESCENT
ANTIBODY
(11G10)-HEAVY CHAIN

(Mus musculus) 		no annotation 4 ASP H  96
TYR H  95
PHE H  29
TYR H  27
 None
 1.10A 2w98A-2g2rH:
undetectable
2w98B-2g2rH:
undetectable		 2w98A-2g2rH:
19.70
2w98B-2g2rH:
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.
2gdu SUCROSE
PHOSPHORYLASE

(Bifidobacterium
adolescentis) 		PF00128
(Alpha-amylase)
PF09244
(DUF1964) 		4 TYR A 378
PHE A  30
TYR A  34
LEU A  14
 None
 1.11A 2w98A-2gduA:
undetectable
2w98B-2gduA:
undetectable		 2w98A-2gduA:
19.84
2w98B-2gduA:
19.84
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.
2kc1 MKIAA1027 PROTEIN

(Mus musculus) 		PF16511
(FERM_f0) 		4 ASP A  69
TYR A  70
PHE A  19
LEU A  49
 None
 1.21A 2w98A-2kc1A:
undetectable
2w98B-2kc1A:
undetectable		 2w98A-2kc1A:
12.84
2w98B-2kc1A:
12.84
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.
2l2f CYANOVIRIN-N HOMOLOG

(Fusarium
graminearum) 		PF08881
(CVNH) 		4 ASP A 100
TYR A  40
PHE A   4
LEU A  19
 None
 1.22A 2w98A-2l2fA:
undetectable
2w98B-2l2fA:
undetectable		 2w98A-2l2fA:
15.67
2w98B-2l2fA:
15.67
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.
2nlv XISI PROTEIN-LIKE

(Trichormus
variabilis) 		PF08869
(XisI) 		4 ASP A  62
TYR A   7
TYR A  41
LEU A   4
 None
 1.19A 2w98A-2nlvA:
undetectable
2w98B-2nlvA:
undetectable		 2w98A-2nlvA:
14.24
2w98B-2nlvA:
14.24
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.
2nm1 BOTULINUM NEUROTOXIN
TYPE B

(Clostridium
botulinum) 		PF07951
(Toxin_R_bind_C)
PF07953
(Toxin_R_bind_N) 		4 ASP A1165
TYR A1166
TYR A1168
LEU A1169
 None
 1.10A 2w98A-2nm1A:
undetectable
2w98B-2nm1A:
undetectable		 2w98A-2nm1A:
21.67
2w98B-2nm1A:
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.
2nm1 BOTULINUM NEUROTOXIN
TYPE B

(Clostridium
botulinum) 		PF07951
(Toxin_R_bind_C)
PF07953
(Toxin_R_bind_N) 		4 TYR A1183
TYR A1181
PHE A1257
LEU A1195
 None
 1.04A 2w98A-2nm1A:
undetectable
2w98B-2nm1A:
undetectable		 2w98A-2nm1A:
21.67
2w98B-2nm1A:
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.
2nog ISWI PROTEIN

(Xenopus laevis) 		PF09110
(HAND) 		4 ASP A 833
PHE A 759
TYR A 867
LEU A 878
 None
 1.10A 2w98A-2nogA:
undetectable
2w98B-2nogA:
undetectable		 2w98A-2nogA:
18.21
2w98B-2nogA:
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.
2np0 BOTULINUM NEUROTOXIN
TYPE B

(Clostridium
botulinum) 		PF01742
(Peptidase_M27)
PF07951
(Toxin_R_bind_C)
PF07952
(Toxin_trans)
PF07953
(Toxin_R_bind_N) 		4 ASP A1164
TYR A1165
TYR A1167
LEU A1168
 None
 1.10A 2w98A-2np0A:
undetectable
2w98B-2np0A:
undetectable		 2w98A-2np0A:
14.12
2w98B-2np0A:
14.12
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.
2np0 BOTULINUM NEUROTOXIN
TYPE B

(Clostridium
botulinum) 		PF01742
(Peptidase_M27)
PF07951
(Toxin_R_bind_C)
PF07952
(Toxin_trans)
PF07953
(Toxin_R_bind_N) 		4 TYR A1182
TYR A1180
PHE A1256
LEU A1194
 None
 1.06A 2w98A-2np0A:
undetectable
2w98B-2np0A:
undetectable		 2w98A-2np0A:
14.12
2w98B-2np0A:
14.12
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.
2p1n TRANSPORT INHIBITOR
RESPONSE 1 PROTEIN

(Arabidopsis
thaliana) 		PF12937
(F-box-like) 		4 ASP B 275
TYR B 280
PHE B 273
LEU B 281
 None
 1.01A 2w98A-2p1nB:
undetectable
2w98B-2p1nB:
undetectable		 2w98A-2p1nB:
20.67
2w98B-2p1nB:
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.
2psf RENILLA-LUCIFERIN
2-MONOOXYGENASE

(Renilla
reniformis) 		PF00561
(Abhydrolase_1) 		4 ASP A  38
TYR A  37
PHE A 105
LEU A  50
 None
 1.02A 2w98A-2psfA:
undetectable
2w98B-2psfA:
2.6		 2w98A-2psfA:
20.41
2w98B-2psfA:
20.41
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.
2rgh ALPHA-GLYCEROPHOSPHA
TE OXIDASE

(Streptococcus
sp.) 		PF01266
(DAO)
PF16901
(DAO_C) 		4 ASP A 571
TYR A 547
PHE A 577
LEU A 536
 None
 1.14A 2w98A-2rghA:
undetectable
2w98B-2rghA:
undetectable		 2w98A-2rghA:
20.07
2w98B-2rghA:
20.07
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.
2rkc HEMAGGLUTININ

(Measles
morbillivirus) 		PF00423
(HN) 		4 ASP A 530
TYR A 529
TYR A 540
LEU A 526
 None
 1.02A 2w98A-2rkcA:
undetectable
2w98B-2rkcA:
undetectable		 2w98A-2rkcA:
20.86
2w98B-2rkcA:
20.86
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.
2vd5 DMPK PROTEIN

(Homo sapiens) 		PF00069
(Pkinase) 		4 ASP A 204
TYR A 151
PHE A 354
LEU A 159
 None
BI8  A1417 (-4.9A)
None
None
 1.09A 2w98A-2vd5A:
undetectable
2w98B-2vd5A:
undetectable		 2w98A-2vd5A:
21.78
2w98B-2vd5A:
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.
2vl7 XPD

(Sulfurisphaera
tokodaii) 		PF06733
(DEAD_2)
PF13307
(Helicase_C_2) 		4 ASP A 519
TYR A 516
PHE A 391
LEU A 376
 None
 1.16A 2w98A-2vl7A:
undetectable
2w98B-2vl7A:
3.4		 2w98A-2vl7A:
20.55
2w98B-2vl7A:
20.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vsv RHOPHILIN-2

(Homo sapiens) 		no annotation 4 ASP A 556
TYR A 557
PHE A 519
LEU A 578
 None
 1.17A 2w98A-2vsvA:
undetectable
2w98B-2vsvA:
undetectable		 2w98A-2vsvA:
14.04
2w98B-2vsvA:
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.
2vxr BOTULINUM NEUROTOXIN
TYPE G

(Clostridium
botulinum) 		PF07951
(Toxin_R_bind_C)
PF07953
(Toxin_R_bind_N) 		4 ASP A1172
TYR A1173
TYR A1175
LEU A1176
 None
 1.16A 2w98A-2vxrA:
undetectable
2w98B-2vxrA:
undetectable		 2w98A-2vxrA:
20.20
2w98B-2vxrA:
20.20
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.
2xr7 MALONYLTRANSFERASE

(Nicotiana
tabacum) 		PF02458
(Transferase) 		4 TYR A  92
PHE A 319
TYR A 201
LEU A  74
 None
 1.14A 2w98A-2xr7A:
undetectable
2w98B-2xr7A:
undetectable		 2w98A-2xr7A:
21.72
2w98B-2xr7A:
21.72
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.
2xrc HUMAN COMPLEMENT
FACTOR I

(Homo sapiens) 		PF00057
(Ldl_recept_a)
PF00089
(Trypsin)
PF00530
(SRCR) 		4 ASP A 411
TYR A 408
TYR A 486
TYR A 547
 None
 1.23A 2w98A-2xrcA:
undetectable
2w98B-2xrcA:
undetectable		 2w98A-2xrcA:
20.62
2w98B-2xrcA:
20.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xwx GLCNAC-BINDING
PROTEIN A

(Vibrio cholerae) 		PF03067
(LPMO_10) 		4 ASP A 185
TYR A 128
PHE A  72
LEU A 181
 None
 1.10A 2w98A-2xwxA:
undetectable
2w98B-2xwxA:
undetectable		 2w98A-2xwxA:
23.36
2w98B-2xwxA:
23.36
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.
3alx HEMAGGLUTININ,LINKER
,CDW150

(Measles
morbillivirus;
Saguinus
oedipus;
synthetic
construct) 		PF00423
(HN)
PF06214
(SLAM) 		4 ASP A 530
TYR A 529
TYR A 540
LEU A 526
 None
 0.98A 2w98A-3alxA:
undetectable
2w98B-3alxA:
undetectable		 2w98A-3alxA:
20.04
2w98B-3alxA:
20.04
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.
3b1e BETAC-S LYASE

(Streptococcus
anginosus) 		PF00155
(Aminotran_1_2) 		4 ASP A  87
TYR A 245
PHE A 257
LEU A 229
 None
 0.89A 2w98A-3b1eA:
3.2
2w98B-3b1eA:
2.9		 2w98A-3b1eA:
20.67
2w98B-3b1eA:
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.
3b3j HISTONE-ARGININE
METHYLTRANSFERASE
CARM1

(Rattus
norvegicus) 		PF06325
(PrmA) 		4 ASP A 393
TYR A 356
PHE A 390
LEU A 441
 None
 0.92A 2w98A-3b3jA:
8.0
2w98B-3b3jA:
8.1		 2w98A-3b3jA:
19.76
2w98B-3b3jA:
19.76
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.
3b3l KETOHEXOKINASE

(Homo sapiens) 		PF00294
(PfkB) 		4 ASP A 231
TYR A 212
PHE A 201
LEU A 211
 None
 1.15A 2w98A-3b3lA:
3.7
2w98B-3b3lA:
4.4		 2w98A-3b3lA:
21.22
2w98B-3b3lA:
21.22
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.
3cji POLYPROTEIN

(Senecavirus A) 		PF00073
(Rhv) 		4 TYR B  69
TYR B  72
PHE B 217
LEU C 243
 None
 1.17A 2w98A-3cjiB:
undetectable
2w98B-3cjiB:
undetectable		 2w98A-3cjiB:
22.22
2w98B-3cjiB:
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.
3ddl XANTHORHODOPSIN

(Salinibacter
ruber) 		PF01036
(Bac_rhodopsin) 		4 ASP A  96
TYR A 232
PHE A  20
TYR A  63
 None
 1.17A 2w98A-3ddlA:
undetectable
2w98B-3ddlA:
undetectable		 2w98A-3ddlA:
20.17
2w98B-3ddlA:
20.17
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.
3dhu ALPHA-AMYLASE

(Lactobacillus
plantarum) 		PF00128
(Alpha-amylase) 		4 ASP A 228
TYR A 231
PHE A 263
TYR A 224
 None
 1.13A 2w98A-3dhuA:
undetectable
2w98B-3dhuA:
undetectable		 2w98A-3dhuA:
21.60
2w98B-3dhuA:
21.60
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.
3e3q T-CELL RECEPTOR
ALPHA CHAIN V REGION
PHDS58

(Mus musculus) 		no annotation 4 ASP D  53
TYR D  50
PHE D  66
LEU D  32
 None
 1.16A 2w98A-3e3qD:
undetectable
2w98B-3e3qD:
undetectable		 2w98A-3e3qD:
15.13
2w98B-3e3qD:
15.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3efz 14-3-3 PROTEIN

(Cryptosporidium
parvum) 		PF00244
(14-3-3) 		4 TYR A 202
TYR A 195
PHE A 268
LEU A 244
 None
 0.96A 2w98A-3efzA:
undetectable
2w98B-3efzA:
undetectable		 2w98A-3efzA:
22.49
2w98B-3efzA:
22.49
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.
3ejn SUSD HOMOLOG

(Bacteroides
fragilis) 		PF12771
(SusD-like_2) 		4 ASP A 229
TYR A 336
TYR A 177
LEU A 333
 None
 1.03A 2w98A-3ejnA:
undetectable
2w98B-3ejnA:
undetectable		 2w98A-3ejnA:
22.80
2w98B-3ejnA:
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.
3fbs OXIDOREDUCTASE

(Agrobacterium
fabrum) 		PF07992
(Pyr_redox_2) 		4 ASP A 162
TYR A 137
PHE A 219
LEU A 139
 None
 1.05A 2w98A-3fbsA:
undetectable
2w98B-3fbsA:
3.1		 2w98A-3fbsA:
19.18
2w98B-3fbsA:
19.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fdh SUSD HOMOLOG

(Bacteroides
thetaiotaomicron) 		PF12771
(SusD-like_2) 		4 ASP A 257
TYR A 356
TYR A 208
LEU A 222
 None
 1.09A 2w98A-3fdhA:
undetectable
2w98B-3fdhA:
undetectable		 2w98A-3fdhA:
21.58
2w98B-3fdhA:
21.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ho8 PYRUVATE CARBOXYLASE

(Staphylococcus
aureus) 		PF00289
(Biotin_carb_N)
PF00682
(HMGL-like)
PF02436
(PYC_OADA)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		4 ASP A 475
TYR A 372
PHE A 471
TYR A 476
 None
 1.20A 2w98A-3ho8A:
4.6
2w98B-3ho8A:
4.6		 2w98A-3ho8A:
14.90
2w98B-3ho8A:
14.90
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.
3jb9 PRE-MRNA-SPLICING
FACTOR CWF10

(Schizosaccharomyces
pombe) 		PF00009
(GTP_EFTU)
PF00679
(EFG_C)
PF03144
(GTP_EFTU_D2)
PF03764
(EFG_IV)
PF16004
(EFTUD2) 		4 ASP B 358
PHE B 381
TYR B 287
LEU B 332
 None
 1.15A 2w98A-3jb9B:
undetectable
2w98B-3jb9B:
undetectable		 2w98A-3jb9B:
16.65
2w98B-3jb9B:
16.65
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.
3kfo NUCLEOPORIN NUP133

(Saccharomyces
cerevisiae) 		no annotation 4 ASP A1001
TYR A1006
PHE A 984
LEU A 964
 None
 1.02A 2w98A-3kfoA:
undetectable
2w98B-3kfoA:
undetectable		 2w98A-3kfoA:
21.22
2w98B-3kfoA:
21.22
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.
3ml0 PENICILLIN G
ACYLASE, ALPHA
SUBUNIT
PENICILLIN G
ACYLASE, BETA
SUBUNIT

(Alcaligenes
faecalis) 		PF01804
(Penicil_amidase) 		4 ASP A 134
TYR B  52
PHE A  95
LEU B 151
 None
 1.11A 2w98A-3ml0A:
undetectable
2w98B-3ml0A:
undetectable		 2w98A-3ml0A:
22.12
2w98B-3ml0A:
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.
3mpp BOTULINUM NEUROTOXIN
TYPE G

(Clostridium
botulinum) 		PF07951
(Toxin_R_bind_C)
PF07953
(Toxin_R_bind_N) 		4 ASP G1172
TYR G1173
TYR G1175
LEU G1176
 None
 1.14A 2w98A-3mppG:
undetectable
2w98B-3mppG:
undetectable		 2w98A-3mppG:
21.29
2w98B-3mppG:
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.
3p1w RABGDI PROTEIN

(Plasmodium
falciparum) 		PF00996
(GDI) 		4 ASP A 131
TYR A 220
PHE A 151
LEU A 193
 None
 1.17A 2w98A-3p1wA:
undetectable
2w98B-3p1wA:
undetectable		 2w98A-3p1wA:
20.37
2w98B-3p1wA:
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.
3p8a UNCHARACTERIZED
PROTEIN

(Staphylococcus
aureus) 		PF13468
(Glyoxalase_3) 		4 TYR A 184
TYR A  69
PHE A  40
LEU A  72
 None
GOL  A 275 (-4.5A)
None
None
 0.93A 2w98A-3p8aA:
undetectable
2w98B-3p8aA:
undetectable		 2w98A-3p8aA:
20.22
2w98B-3p8aA:
20.22
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.
3pta DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 1

(Homo sapiens) 		PF00145
(DNA_methylase)
PF01426
(BAH)
PF02008
(zf-CXXC) 		4 ASP A 937
TYR A 940
TYR A 933
LEU A 941
 None
 1.19A 2w98A-3ptaA:
5.6
2w98B-3ptaA:
5.6		 2w98A-3ptaA:
16.27
2w98B-3ptaA:
16.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3r18 SULFITE OXIDASE

(Gallus gallus) 		PF00174
(Oxidored_molyb)
PF03404
(Mo-co_dimer) 		4 ASP A 156
TYR A 258
PHE A 240
LEU A 219
 None
 0.90A 2w98A-3r18A:
undetectable
2w98B-3r18A:
undetectable		 2w98A-3r18A:
21.01
2w98B-3r18A:
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.
3t7s PUTATIVE
METHYLTRANSFERASE

(Bacteroides
vulgatus) 		PF13649
(Methyltransf_25) 		4 ASP A 116
TYR A 145
PHE A 110
LEU A  53
 None
 1.19A 2w98A-3t7sA:
7.0
2w98B-3t7sA:
6.7		 2w98A-3t7sA:
21.93
2w98B-3t7sA:
21.93
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.
3tk8 2,3,4,5-TETRAHYDROPY
RIDINE-2,6-DICARBOXY
LATE
N-SUCCINYLTRANSFERAS
E

(Burkholderia
pseudomallei) 		PF00132
(Hexapep)
PF14602
(Hexapep_2)
PF14805
(THDPS_N_2) 		4 ASP A 255
TYR A 254
TYR A 263
LEU A 247
 None
 1.01A 2w98A-3tk8A:
undetectable
2w98B-3tk8A:
undetectable		 2w98A-3tk8A:
20.56
2w98B-3tk8A:
20.56
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.
3ux4 ACID-ACTIVATED UREA
CHANNEL

(Helicobacter
pylori) 		PF02293
(AmiS_UreI) 		4 TYR A   8
TYR A  88
PHE A  34
LEU A  89
 None
 1.20A 2w98A-3ux4A:
undetectable
2w98B-3ux4A:
undetectable		 2w98A-3ux4A:
20.33
2w98B-3ux4A:
20.33
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.
3vlb XYLOGLUCAN-SPECIFIC
ENDO-BETA-1,4-GLUCAN
ASE A

(Aspergillus
aculeatus) 		PF01670
(Glyco_hydro_12) 		4 ASP B 187
TYR B 163
PHE B 182
LEU B 108
 None
 0.96A 2w98A-3vlbB:
undetectable
2w98B-3vlbB:
undetectable		 2w98A-3vlbB:
19.94
2w98B-3vlbB:
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.
4a05 CELLOBIOHYDROLASE
FAMILY 6

(Chaetomium
thermophilum) 		PF01341
(Glyco_hydro_6) 		4 ASP A 165
TYR A 200
PHE A 174
LEU A 247
 CBI  A 502 (-3.0A)
None
None
None
 1.04A 2w98A-4a05A:
undetectable
2w98B-4a05A:
undetectable		 2w98A-4a05A:
20.79
2w98B-4a05A:
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.
4are COLLAGENASE G

(Hathewaya
histolytica) 		PF01752
(Peptidase_M9)
PF08453
(Peptidase_M9_N) 		4 ASP A 456
TYR A 778
PHE A 782
LEU A 743
 None
 1.19A 2w98A-4areA:
undetectable
2w98B-4areA:
undetectable		 2w98A-4areA:
18.76
2w98B-4areA:
18.76
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.
4as3 PHOSPHORYLCHOLINE
PHOSPHATASE

(Pseudomonas
aeruginosa) 		no annotation 4 TYR A 128
TYR A  83
PHE A  69
LEU A  79
 None
 1.01A 2w98A-4as3A:
7.0
2w98B-4as3A:
7.3		 2w98A-4as3A:
21.08
2w98B-4as3A:
21.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bfr PHOSPHATIDYLINOSITOL
4,5-BISPHOSPHATE
3-KINASE CATALYTIC S
SUBUNIT BETA ISOFORM

(Mus musculus) 		PF00454
(PI3_PI4_kinase)
PF00613
(PI3Ka)
PF00792
(PI3K_C2)
PF00794
(PI3K_rbd) 		4 ASP A 605
TYR A 642
PHE A 998
LEU A1009
 None
 1.19A 2w98A-4bfrA:
undetectable
2w98B-4bfrA:
undetectable		 2w98A-4bfrA:
16.08
2w98B-4bfrA:
16.08
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.
4fgm AMINOPEPTIDASE N
FAMILY PROTEIN

(Idiomarina
loihiensis) 		PF05299
(Peptidase_M61)
PF13180
(PDZ_2) 		4 ASP A 314
TYR A 275
PHE A 267
LEU A 204
 None
 1.01A 2w98A-4fgmA:
undetectable
2w98B-4fgmA:
undetectable		 2w98A-4fgmA:
20.55
2w98B-4fgmA:
20.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4g4p AMINO ACID ABC
TRANSPORTER, AMINO
ACID-BINDING/PERMEAS
E PROTEIN

(Enterococcus
faecalis) 		PF00497
(SBP_bac_3) 		4 ASP A 108
TYR A 181
TYR A 206
LEU A 111
 None
None
GLN  A 302 (-4.8A)
None
 1.15A 2w98A-4g4pA:
undetectable
2w98B-4g4pA:
undetectable		 2w98A-4g4pA:
20.86
2w98B-4g4pA:
20.86
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.
4h7u PYRANOSE
DEHYDROGENASE

(Leucoagaricus
meleagris) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		4 ASP A 331
TYR A 417
PHE A 474
LEU A 423
 None
 1.07A 2w98A-4h7uA:
undetectable
2w98B-4h7uA:
undetectable		 2w98A-4h7uA:
20.63
2w98B-4h7uA:
20.63
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.
4iv9 TRYPTOPHAN
2-MONOOXYGENASE

(Pseudomonas
savastanoi) 		PF01593
(Amino_oxidase) 		4 ASP A 266
TYR A 263
PHE A  99
LEU A 106
 None
None
FAD  A 601 ( 4.6A)
None
 1.08A 2w98A-4iv9A:
undetectable
2w98B-4iv9A:
undetectable		 2w98A-4iv9A:
21.70
2w98B-4iv9A:
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.
4leh BILE ACID 7-ALPHA
DEHYDRATASE, BAIE

([Clostridium]
scindens) 		PF13577
(SnoaL_4) 		4 TYR A 147
PHE A  34
TYR A  33
LEU A 107
 SO4  A 203 (-4.7A)
None
None
None
 1.17A 2w98A-4lehA:
undetectable
2w98B-4lehA:
undetectable		 2w98A-4lehA:
19.34
2w98B-4lehA:
19.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ler PUTATIVE OUTER
MEMBRANE PROTEIN,
PROBABLY INVOLVED IN
NUTRIENT BINDING

(Bacteroides
vulgatus) 		PF12771
(SusD-like_2) 		4 ASP A 232
TYR A 341
TYR A 180
LEU A 338
 None
 1.03A 2w98A-4lerA:
undetectable
2w98B-4lerA:
undetectable		 2w98A-4lerA:
20.97
2w98B-4lerA:
20.97
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.
4m8u OLIGO-1,6-GLUCOSIDAS
E 1

(Bacillus
subtilis) 		PF00128
(Alpha-amylase)
PF16657
(Malt_amylase_C) 		4 ASP A 387
TYR A 385
TYR A 394
LEU A 397
 None
None
None
GOL  A 605 (-4.7A)
 1.19A 2w98A-4m8uA:
undetectable
2w98B-4m8uA:
undetectable		 2w98A-4m8uA:
20.82
2w98B-4m8uA:
20.82
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.
4n7r GLUTAMYL-TRNA
REDUCTASE 1,
CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF00745
(GlutR_dimer)
PF01488
(Shikimate_DH)
PF05201
(GlutR_N) 		4 ASP A 189
TYR A 186
PHE A 195
LEU A 235
 None
 1.14A 2w98A-4n7rA:
5.7
2w98B-4n7rA:
8.9		 2w98A-4n7rA:
22.09
2w98B-4n7rA:
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.
4pu5 TOXIN-ANTITOXIN
SYSTEM TOXIN HIPA
FAMILY

(Shewanella
oneidensis) 		PF07804
(HipA_C)
PF13657
(Couple_hipA) 		4 ASP A 430
TYR A 358
PHE A 424
LEU A 360
 None
 1.18A 2w98A-4pu5A:
undetectable
2w98B-4pu5A:
undetectable		 2w98A-4pu5A:
21.95
2w98B-4pu5A:
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.
4rev DISEASE RESISTANCE
RESPONSE PROTEIN 206

(Pisum sativum) 		PF03018
(Dirigent) 		4 ASP A  40
TYR A  37
PHE A 166
TYR A 171
 None
 1.21A 2w98A-4revA:
undetectable
2w98B-4revA:
undetectable		 2w98A-4revA:
20.17
2w98B-4revA:
20.17
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.
4woy MITOCHONDRIAL
DYNAMICS PROTEIN
MID49

(Mus musculus) 		PF03281
(Mab-21) 		4 ASP A 437
TYR A 441
PHE A 431
LEU A 373
 None
 0.92A 2w98A-4woyA:
undetectable
2w98B-4woyA:
undetectable		 2w98A-4woyA:
20.47
2w98B-4woyA:
20.47
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.
4xqk LLABIII

(Lactococcus
lactis) 		PF00271
(Helicase_C)
PF02384
(N6_Mtase)
PF04851
(ResIII)
PF13156
(Mrr_cat_2) 		4 TYR A1426
PHE A1416
TYR A1421
LEU A1339
 None
 1.21A 2w98A-4xqkA:
6.6
2w98B-4xqkA:
6.6		 2w98A-4xqkA:
13.43
2w98B-4xqkA:
13.43
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.
4zos PROTEIN YE0340 FROM
YERSINIA
ENTEROCOLITICA
SUBSP.
ENTEROCOLITICA 8081

(Yersinia
enterocolitica) 		PF03992
(ABM) 		4 ASP A  46
PHE A  32
TYR A  45
LEU A  15
 None
 1.20A 2w98A-4zosA:
undetectable
2w98B-4zosA:
undetectable		 2w98A-4zosA:
14.58
2w98B-4zosA:
14.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5b6k UNCHARACTERIZED
PROTEIN CGKR1

([Candida]
glabrata) 		PF01370
(Epimerase) 		4 ASP A 339
TYR A 338
PHE A 210
LEU A 285
 None
 1.23A 2w98A-5b6kA:
6.5
2w98B-5b6kA:
6.5		 2w98A-5b6kA:
22.91
2w98B-5b6kA:
22.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fhz ALDEHYDE
DEHYDROGENASE FAMILY
1 MEMBER A3

(Homo sapiens) 		PF00171
(Aldedh) 		4 TYR A 492
PHE A 144
TYR A 143
LEU A 494
 None
 1.23A 2w98A-5fhzA:
undetectable
2w98B-5fhzA:
undetectable		 2w98A-5fhzA:
21.36
2w98B-5fhzA:
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.
5frs SISTER CHROMATID
COHESION PROTEIN
PDS5

(Saccharomyces
cerevisiae) 		PF12717
(Cnd1) 		4 ASP A 214
TYR A 217
PHE A 156
LEU A 175
 None
 1.10A 2w98A-5frsA:
undetectable
2w98B-5frsA:
undetectable		 2w98A-5frsA:
18.70
2w98B-5frsA:
18.70
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.
5hn7 FARNESYL
PYROPHOSPHATE
SYNTHASE, PUTATIVE

(Plasmodium
vivax) 		PF00348
(polyprenyl_synt) 		4 ASP A  74
TYR A  68
PHE A  48
LEU A 158
 None
 1.17A 2w98A-5hn7A:
undetectable
2w98B-5hn7A:
undetectable		 2w98A-5hn7A:
20.33
2w98B-5hn7A:
20.33
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.
5i70 PLASMEPSIN IV

(Plasmodium
falciparum) 		no annotation 4 ASP B 214
TYR B 192
PHE B 305
LEU B 197
 None
 0.91A 2w98A-5i70B:
undetectable
2w98B-5i70B:
undetectable		 2w98A-5i70B:
23.88
2w98B-5i70B:
23.88
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.
5ja1 ENTEROBACTIN
SYNTHASE COMPONENT F

(Escherichia
coli) 		PF00501
(AMP-binding)
PF00550
(PP-binding)
PF00668
(Condensation)
PF00975
(Thioesterase)
PF13193
(AMP-binding_C) 		4 ASP A 542
TYR A 539
PHE A 566
LEU A 535
 None
 1.21A 2w98A-5ja1A:
undetectable
2w98B-5ja1A:
undetectable		 2w98A-5ja1A:
14.42
2w98B-5ja1A:
14.42
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.
5jsi BACTERIORHODOPSIN

(Candidatus
Actinomarina
minuta) 		PF01036
(Bac_rhodopsin) 		4 ASP A  72
TYR A 192
PHE A   9
TYR A  52
 LYR  A 200 ( 4.3A)
None
None
None
 1.21A 2w98A-5jsiA:
undetectable
2w98B-5jsiA:
undetectable		 2w98A-5jsiA:
22.95
2w98B-5jsiA:
22.95
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.
5n2g DNA POLYMERASE

(Vaccinia virus) 		no annotation 4 ASP A 268
TYR A 271
PHE A 328
LEU A 297
 MN  A1105 (-3.4A)
None
None
None
 1.20A 2w98A-5n2gA:
undetectable
2w98B-5n2gA:
undetectable		 2w98A-5n2gA:
12.90
2w98B-5n2gA:
12.90
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.
5n2g DNA POLYMERASE

(Vaccinia virus) 		no annotation 4 ASP A 330
TYR A 332
TYR A 473
PHE A 164
 None
None
DTT  A1110 (-4.7A)
None
 1.19A 2w98A-5n2gA:
undetectable
2w98B-5n2gA:
undetectable		 2w98A-5n2gA:
12.90
2w98B-5n2gA:
12.90
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.
5szs SPIKE GLYCOPROTEIN

(Human
coronavirus
NL63) 		PF01600
(Corona_S1)
PF01601
(Corona_S2) 		4 ASP A  67
TYR A 154
PHE A  64
LEU A  25
 None
 0.89A 2w98A-5szsA:
undetectable
2w98B-5szsA:
undetectable		 2w98A-5szsA:
13.99
2w98B-5szsA:
13.99
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.
5t1d GLYCOPROTEIN 42

(Human
gammaherpesvirus
4) 		no annotation 4 TYR C 117
TYR C 142
PHE C 129
LEU C 177
 None
 1.13A 2w98A-5t1dC:
undetectable
2w98B-5t1dC:
undetectable		 2w98A-5t1dC:
18.10
2w98B-5t1dC:
18.10
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.
5tte E3 UBIQUITIN-PROTEIN
LIGASE ARIH1

(Homo sapiens) 		PF01485
(IBR) 		4 TYR B 474
TYR B 481
TYR B 547
LEU B 482
 None
 1.14A 2w98A-5tteB:
undetectable
2w98B-5tteB:
undetectable		 2w98A-5tteB:
19.82
2w98B-5tteB:
19.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5udh E3 UBIQUITIN-PROTEIN
LIGASE ARIH1

(Homo sapiens) 		PF01485
(IBR) 		4 TYR A 474
TYR A 481
TYR A 547
LEU A 482
 None
 1.20A 2w98A-5udhA:
undetectable
2w98B-5udhA:
undetectable		 2w98A-5udhA:
20.32
2w98B-5udhA:
20.32
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.
5x7u TREHALOSE SYNTHASE

(Thermobaculum
terrenum) 		no annotation 4 TYR A 537
TYR A 476
PHE A 505
LEU A 466
 None
 1.20A 2w98A-5x7uA:
undetectable
2w98B-5x7uA:
undetectable		 2w98A-5x7uA:
12.09
2w98B-5x7uA:
12.09
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.
6c5v GLYCOPROTEIN 42

(Human
gammaherpesvirus
4) 		no annotation 4 TYR C 117
TYR C 142
PHE C 129
LEU C 177
 None
 0.96A 2w98A-6c5vC:
undetectable
2w98B-6c5vC:
undetectable		 2w98A-6c5vC:
11.48
2w98B-6c5vC:
11.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6dd3 CYTOSOLIC PURINE
5'-NUCLEOTIDASE

(Homo sapiens) 		no annotation 4 ASP A 351
TYR A  55
PHE A  51
LEU A 232
 PO4  A 601 ( 4.6A)
None
None
None
 1.23A 2w98A-6dd3A:
2.5
2w98B-6dd3A:
2.5		 2w98A-6dd3A:
12.38
2w98B-6dd3A:
12.38