SIMILAR PATTERNS OF AMINO ACIDS FOR 3WIP_J_ACHJ301_0

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.
1ae7 PHOSPHOLIPASE A2

(Notechis
scutatus) 		PF00068
(Phospholip_A2_1) 		4 TRP A  20
THR A  19
TYR A 111
TYR A  22
 None
 1.16A 3wipF-1ae7A:
0.0
3wipJ-1ae7A:
0.0		 3wipF-1ae7A:
16.50
3wipJ-1ae7A:
16.50
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.
1b2h PERIPLASMIC
OLIGOPEPTIDE-BINDING
PROTEIN

(Salmonella
enterica) 		PF00496
(SBP_bac_5) 		4 TYR A 420
THR A 429
TYR A 112
TYR A 115
 None
 1.11A 3wipF-1b2hA:
0.0
3wipJ-1b2hA:
0.0		 3wipF-1b2hA:
16.28
3wipJ-1b2hA:
16.28
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.
1bpl ALPHA-1,4-GLUCAN-4-G
LUCANOHYDROLASE
ALPHA-1,4-GLUCAN-4-G
LUCANOHYDROLASE

(Bacillus
licheniformis;
Bacillus
licheniformis) 		PF00128
(Alpha-amylase)
PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		4 ARG B 391
LEU A   3
TYR A  98
THR A   6
 None
 1.26A 3wipF-1bplB:
0.0
3wipJ-1bplB:
0.0		 3wipF-1bplB:
22.07
3wipJ-1bplB:
22.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1d6m DNA TOPOISOMERASE
III

(Escherichia
coli) 		PF01131
(Topoisom_bac)
PF01751
(Toprim) 		4 ARG A 208
LEU A 205
TYR A 172
THR A 566
 None
 1.19A 3wipF-1d6mA:
undetectable
3wipJ-1d6mA:
undetectable		 3wipF-1d6mA:
16.04
3wipJ-1d6mA:
16.04
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.
1dgs DNA LIGASE

(Thermus
filiformis) 		PF01653
(DNA_ligase_aden)
PF03120
(DNA_ligase_OB)
PF12826
(HHH_2)
PF14520
(HHH_5) 		4 LEU A 503
MET A 578
TYR A 470
TYR A 438
 None
 1.25A 3wipF-1dgsA:
0.0
3wipJ-1dgsA:
0.0		 3wipF-1dgsA:
13.79
3wipJ-1dgsA:
13.79
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.
1lnl HEMOCYANIN

(Rapana venosa) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		4 LEU A 343
TRP A 385
THR A 319
TYR A 201
 None
 1.26A 3wipF-1lnlA:
0.0
3wipJ-1lnlA:
0.0		 3wipF-1lnlA:
18.83
3wipJ-1lnlA:
18.83
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.
1m1c MAJOR COAT PROTEIN

(Saccharomyces
cerevisiae
virus L-A) 		PF09220
(LA-virus_coat) 		4 ARG A 517
TYR A 485
TRP A 510
THR A 546
 None
 1.15A 3wipF-1m1cA:
0.0
3wipJ-1m1cA:
0.0		 3wipF-1m1cA:
15.97
3wipJ-1m1cA:
15.97
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.
1pn3 GLYCOSYLTRANSFERASE
GTFA

(Amycolatopsis
orientalis) 		PF03033
(Glyco_transf_28) 		4 ARG A  23
LEU A  24
TRP A 201
THR A 376
 None
 1.07A 3wipF-1pn3A:
0.0
3wipJ-1pn3A:
0.0		 3wipF-1pn3A:
19.35
3wipJ-1pn3A:
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.
1qcw FLAVOCYTOCHROME B2

(Saccharomyces
cerevisiae) 		PF01070
(FMN_dh) 		4 ARG A 108
LEU A 112
THR A 137
TYR A 437
 None
 1.11A 3wipF-1qcwA:
undetectable
3wipJ-1qcwA:
undetectable		 3wipF-1qcwA:
20.90
3wipJ-1qcwA:
20.90
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.
1uyv ACETYL-COA
CARBOXYLASE

(Saccharomyces
cerevisiae) 		PF01039
(Carboxyl_trans) 		4 ARG A2125
LEU A2126
TYR A1988
TYR A2015
 None
 1.24A 3wipF-1uyvA:
undetectable
3wipJ-1uyvA:
undetectable		 3wipF-1uyvA:
14.27
3wipJ-1uyvA:
14.27
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.
1v9p DNA LIGASE

(Thermus
filiformis) 		PF01653
(DNA_ligase_aden)
PF03120
(DNA_ligase_OB)
PF12826
(HHH_2)
PF14520
(HHH_5) 		4 LEU A 506
MET A 581
TYR A 473
TYR A 441
 None
 1.28A 3wipF-1v9pA:
undetectable
3wipJ-1v9pA:
undetectable		 3wipF-1v9pA:
16.07
3wipJ-1v9pA:
16.07
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.
1vs3 TRNA PSEUDOURIDINE
SYNTHASE A

(Thermus
thermophilus) 		PF01416
(PseudoU_synth_1) 		4 LEU A 144
MET A 140
THR A 204
TYR A 112
 None
 1.21A 3wipF-1vs3A:
undetectable
3wipJ-1vs3A:
undetectable		 3wipF-1vs3A:
20.75
3wipJ-1vs3A:
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.
1vzo RIBOSOMAL PROTEIN S6
KINASE ALPHA 5

(Homo sapiens) 		PF00069
(Pkinase) 		4 ARG A 109
LEU A 105
TYR A  60
THR A 116
 None
 1.16A 3wipF-1vzoA:
undetectable
3wipJ-1vzoA:
undetectable		 3wipF-1vzoA:
19.56
3wipJ-1vzoA:
19.56
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.
1yfz HYPOXANTHINE-GUANINE
PHOSPHORIBOSYLTRANSF
ERASE

(Caldanaerobacter
subterraneus) 		PF00156
(Pribosyltran) 		4 ARG A 114
LEU A 110
TYR A  33
TYR A 145
 None
ACT  A1200 (-4.2A)
None
None
 0.94A 3wipF-1yfzA:
undetectable
3wipJ-1yfzA:
undetectable		 3wipF-1yfzA:
18.67
3wipJ-1yfzA:
18.67
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.
1yvl SIGNAL TRANSDUCER
AND ACTIVATOR OF
TRANSCRIPTION
1-ALPHA/BETA

(Homo sapiens) 		PF00017
(SH2)
PF01017
(STAT_alpha)
PF02864
(STAT_bind)
PF02865
(STAT_int) 		4 ARG A 602
TYR A 651
THR A 615
TYR A 634
 None
 1.24A 3wipF-1yvlA:
undetectable
3wipJ-1yvlA:
2.7		 3wipF-1yvlA:
13.60
3wipJ-1yvlA:
13.60
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.
2ayu NUCLEOSOME ASSEMBLY
PROTEIN

(Saccharomyces
cerevisiae) 		PF00956
(NAP) 		4 TYR A 254
THR A 251
TYR A 266
TYR A 252
 None
 1.28A 3wipF-2ayuA:
undetectable
3wipJ-2ayuA:
undetectable		 3wipF-2ayuA:
19.52
3wipJ-2ayuA:
19.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2bj0 ACETYLCHOLINE-BINDIN
G PROTEIN

(Bulinus
truncatus) 		PF02931
(Neur_chan_LBD) 		5 TYR A  88
TRP A 142
THR A 143
TYR A 184
TYR A 191
 None
CXS  A1204 (-3.6A)
CXS  A1204 ( 4.7A)
CXS  A1204 (-4.6A)
CXS  A1204 (-4.7A)
 0.66A 3wipF-2bj0A:
24.5
3wipJ-2bj0A:
25.0		 3wipF-2bj0A:
40.44
3wipJ-2bj0A:
40.44
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.
2e8g HYPOTHETICAL PROTEIN
PH0536

(Pyrococcus
horikoshii) 		PF01588
(tRNA_bind) 		4 LEU A 124
TRP A   2
THR A   4
TYR A   8
 None
 1.15A 3wipF-2e8gA:
undetectable
3wipJ-2e8gA:
undetectable		 3wipF-2e8gA:
19.92
3wipJ-2e8gA:
19.92
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.
2gpj SIDEROPHORE-INTERACT
ING PROTEIN

(Shewanella
putrefaciens) 		PF04954
(SIP)
PF08021
(FAD_binding_9) 		4 ARG A 206
LEU A 205
THR A 222
TYR A 225
 CL  A 254 (-4.4A)
None
None
FAD  A 500 (-3.6A)
 1.28A 3wipF-2gpjA:
undetectable
3wipJ-2gpjA:
undetectable		 3wipF-2gpjA:
21.40
3wipJ-2gpjA:
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.
2hk5 TYROSINE-PROTEIN
KINASE HCK

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		4 MET A 474
TYR A 441
TRP A 477
TYR A 457
 None
 1.27A 3wipF-2hk5A:
undetectable
3wipJ-2hk5A:
undetectable		 3wipF-2hk5A:
22.85
3wipJ-2hk5A:
22.85
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.
2id5 LEUCINE RICH REPEAT
NEURONAL 6A

(Homo sapiens) 		PF07679
(I-set)
PF13306
(LRR_5)
PF13855
(LRR_8) 		4 LEU A 213
MET A 216
TYR A 241
THR A 237
 None
 1.31A 3wipF-2id5A:
undetectable
3wipJ-2id5A:
undetectable		 3wipF-2id5A:
19.25
3wipJ-2id5A:
19.25
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.
2mfq FIBROBLAST GROWTH
FACTOR RECEPTOR
SUBSTRATE 2

(Homo sapiens) 		PF02174
(IRS) 		4 LEU A  97
MET A  38
THR A  41
TYR A  59
 None
 1.27A 3wipF-2mfqA:
undetectable
3wipJ-2mfqA:
undetectable		 3wipF-2mfqA:
17.07
3wipJ-2mfqA:
17.07
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.
2nyf NOSTOC PUNCTIFORME
PHENYLALANINE
AMMONIA LYASE

(Nostoc
punctiforme) 		PF00221
(Lyase_aromatic) 		4 ARG A 501
LEU A 504
THR A 513
TYR A 529
 None
 0.92A 3wipF-2nyfA:
undetectable
3wipJ-2nyfA:
undetectable		 3wipF-2nyfA:
16.87
3wipJ-2nyfA:
16.87
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.
2p3x POLYPHENOL OXIDASE,
CHLOROPLAST

(Vitis vinifera) 		PF00264
(Tyrosinase)
PF12142
(PPO1_DWL) 		4 ARG A 118
LEU A 121
TYR A 141
TYR A 330
 None
 1.29A 3wipF-2p3xA:
undetectable
3wipJ-2p3xA:
undetectable		 3wipF-2p3xA:
22.60
3wipJ-2p3xA:
22.60
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.
2r4f 3-HYDROXY-3-METHYLGL
UTARYL-COENZYME A
REDUCTASE

(Homo sapiens) 		PF00368
(HMG-CoA_red) 		4 LEU A 851
MET A 847
THR A 779
TYR A 792
 None
 1.23A 3wipF-2r4fA:
undetectable
3wipJ-2r4fA:
undetectable		 3wipF-2r4fA:
18.71
3wipJ-2r4fA:
18.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vvy PROTEIN B15

(Vaccinia virus) 		PF06227
(Poxvirus) 		4 LEU A  20
MET A 148
TYR A  33
TYR A  51
 None
 1.28A 3wipF-2vvyA:
undetectable
3wipJ-2vvyA:
undetectable		 3wipF-2vvyA:
18.18
3wipJ-2vvyA:
18.18
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.
2vx4 CELLVIBRIO JAPONICUS
MANNANASE CJMAN26C

(Cellvibrio
japonicus) 		PF02156
(Glyco_hydro_26) 		4 ARG A  66
LEU A  56
TYR A 145
THR A  62
 None
 1.02A 3wipF-2vx4A:
undetectable
3wipJ-2vx4A:
undetectable		 3wipF-2vx4A:
20.46
3wipJ-2vx4A:
20.46
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.
2wb7 PT26-6P

(Thermococcus
sp. 26-2) 		no annotation 4 LEU A 485
THR A 426
TYR A 498
TYR A 489
 None
 1.19A 3wipF-2wb7A:
undetectable
3wipJ-2wb7A:
undetectable		 3wipF-2wb7A:
17.84
3wipJ-2wb7A:
17.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wqs AGGLUTININ RECEPTOR

(Streptococcus
gordonii) 		PF16364
(Antigen_C) 		4 ARG A1142
TYR A1230
THR A1218
TYR A1105
 None
 1.28A 3wipF-2wqsA:
undetectable
3wipJ-2wqsA:
undetectable		 3wipF-2wqsA:
20.75
3wipJ-2wqsA:
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.
2wsx L-CARNITINE/GAMMA-BU
TYROBETAINE
ANTIPORTER

(Escherichia
coli) 		PF02028
(BCCT) 		4 LEU A 301
MET A 300
TYR A 115
THR A 317
 None
 1.18A 3wipF-2wsxA:
undetectable
3wipJ-2wsxA:
undetectable		 3wipF-2wsxA:
17.91
3wipJ-2wsxA:
17.91
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.
2yoc PULLULANASE

(Klebsiella
oxytoca) 		PF02922
(CBM_48)
PF03714
(PUD)
PF11852
(DUF3372) 		4 ARG A 904
MET A 902
TYR A 832
THR A 876
 None
 1.19A 3wipF-2yocA:
undetectable
3wipJ-2yocA:
undetectable		 3wipF-2yocA:
12.63
3wipJ-2yocA:
12.63
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.
3bg9 PYRUVATE
CARBOXYLASE,
MITOCHONDRIAL

(Homo sapiens) 		PF00682
(HMGL-like)
PF02436
(PYC_OADA) 		4 LEU A 642
MET A 641
TRP A 607
THR A 611
 None
 1.14A 3wipF-3bg9A:
undetectable
3wipJ-3bg9A:
undetectable		 3wipF-3bg9A:
14.21
3wipJ-3bg9A:
14.21
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.
3cih PUTATIVE
ALPHA-RHAMNOSIDASE

(Bacteroides
thetaiotaomicron) 		PF17389
(Bac_rhamnosid6H)
PF17390
(Bac_rhamnosid_C) 		4 LEU A 355
TYR A 293
THR A 326
TYR A 320
 None
 1.05A 3wipF-3cihA:
undetectable
3wipJ-3cihA:
undetectable		 3wipF-3cihA:
15.73
3wipJ-3cihA:
15.73
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.
3cwg SIGNAL TRANSDUCER
AND ACTIVATOR OF
TRANSCRIPTION 3

(Mus musculus) 		PF00017
(SH2)
PF01017
(STAT_alpha)
PF02864
(STAT_bind) 		4 ARG A 609
LEU A 608
THR A 622
TYR A 657
 None
 1.11A 3wipF-3cwgA:
2.7
3wipJ-3cwgA:
2.8		 3wipF-3cwgA:
19.67
3wipJ-3cwgA:
19.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3d3a BETA-GALACTOSIDASE

(Bacteroides
thetaiotaomicron) 		PF01301
(Glyco_hydro_35) 		4 ARG A 275
LEU A 280
TYR A 323
TYR A 297
 None
 1.26A 3wipF-3d3aA:
undetectable
3wipJ-3d3aA:
undetectable		 3wipF-3d3aA:
16.20
3wipJ-3d3aA:
16.20
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.
3egw RESPIRATORY NITRATE
REDUCTASE 1 ALPHA
CHAIN
RESPIRATORY NITRATE
REDUCTASE 1 BETA
CHAIN
RESPIRATORY NITRATE
REDUCTASE 1 GAMMA
CHAIN

(Escherichia
coli;
Escherichia
coli;
Escherichia
coli) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF14710
(Nitr_red_alph_N)
PF13247
(Fer4_11)
PF14711
(Nitr_red_bet_C)
PF02665
(Nitrate_red_gam) 		4 ARG B  81
LEU B  85
TYR A   9
THR C 215
 None
 1.21A 3wipF-3egwB:
undetectable
3wipJ-3egwB:
undetectable		 3wipF-3egwB:
17.29
3wipJ-3egwB:
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.
3ff6 ACETYL-COA
CARBOXYLASE 2

(Homo sapiens) 		PF01039
(Carboxyl_trans) 		4 ARG A2329
LEU A2330
TYR A2192
TYR A2219
 None
 1.27A 3wipF-3ff6A:
undetectable
3wipJ-3ff6A:
undetectable		 3wipF-3ff6A:
18.04
3wipJ-3ff6A:
18.04
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.
3g8k LECTIN-RELATED NK
CELL RECEPTOR LY49L1

(Mus musculus) 		PF00059
(Lectin_C) 		4 ARG A 242
LEU A 243
THR A 241
TYR A 198
 None
 1.21A 3wipF-3g8kA:
undetectable
3wipJ-3g8kA:
undetectable		 3wipF-3g8kA:
16.89
3wipJ-3g8kA:
16.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3h4i GLYCOSYLTRANSFERASE
GTFA,
GLYCOSYLTRANSFERASE

(Actinoplanes
teichomyceticus;
Amycolatopsis
orientalis) 		PF03033
(Glyco_transf_28)
PF04101
(Glyco_tran_28_C) 		4 ARG A  23
LEU A  24
TRP A 201
THR A 370
 None
 1.07A 3wipF-3h4iA:
undetectable
3wipJ-3h4iA:
undetectable		 3wipF-3h4iA:
17.38
3wipJ-3h4iA:
17.38
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.
3hdx SUSD SUPERFAMILY
PROTEIN

(Bacteroides
thetaiotaomicron) 		PF07980
(SusD_RagB)
PF14322
(SusD-like_3) 		4 LEU A 403
TYR A 158
THR A 395
TYR A 466
 None
 0.98A 3wipF-3hdxA:
undetectable
3wipJ-3hdxA:
undetectable		 3wipF-3hdxA:
18.43
3wipJ-3hdxA:
18.43
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.
3mqt MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN

(Shewanella
pealeana) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 LEU A 229
MET A 203
TYR A 156
TYR A 189
 None
 1.17A 3wipF-3mqtA:
undetectable
3wipJ-3mqtA:
undetectable		 3wipF-3mqtA:
19.15
3wipJ-3mqtA:
19.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tqx 2-AMINO-3-KETOBUTYRA
TE COENZYME A LIGASE

(Coxiella
burnetii) 		PF00155
(Aminotran_1_2) 		4 LEU A 120
THR A 252
TYR A 269
TYR A 106
 None
 1.30A 3wipF-3tqxA:
undetectable
3wipJ-3tqxA:
undetectable		 3wipF-3tqxA:
19.19
3wipJ-3tqxA:
19.19
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.
3v0w WN1 222-5 FAB
(IGG2A) HEAVY CHAIN
WN1 222-5 FAB
(IGG2A) LIGHT CHAIN

(Mus musculus;
Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set)
PF07654
(C1-set)
PF07686
(V-set) 		4 LEU H  80
TYR L  94
TRP H  47
THR H  35
 None
GM0  H 306 (-4.5A)
None
None
 0.98A 3wipF-3v0wH:
undetectable
3wipJ-3v0wH:
undetectable		 3wipF-3v0wH:
20.49
3wipJ-3v0wH:
20.49
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.
3v7i PUTATIVE POLYKETIDE
SYNTHASE

(Streptomyces
coelicolor) 		PF00195
(Chal_sti_synt_N) 		4 ARG A 296
LEU A 293
MET A 289
TRP A 250
 None
 1.30A 3wipF-3v7iA:
undetectable
3wipJ-3v7iA:
undetectable		 3wipF-3v7iA:
19.25
3wipJ-3v7iA:
19.25
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.
3vkg DYNEIN HEAVY CHAIN,
CYTOPLASMIC

(Dictyostelium
discoideum) 		PF03028
(Dynein_heavy)
PF07728
(AAA_5)
PF08393
(DHC_N2)
PF12774
(AAA_6)
PF12775
(AAA_7)
PF12777
(MT)
PF12780
(AAA_8)
PF12781
(AAA_9) 		4 ARG A3620
LEU A3621
TYR A3601
TRP A3617
 None
 0.95A 3wipF-3vkgA:
undetectable
3wipJ-3vkgA:
undetectable		 3wipF-3vkgA:
5.57
3wipJ-3vkgA:
5.57
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.
3waj TRANSMEMBRANE
OLIGOSACCHARYL
TRANSFERASE

(Archaeoglobus
fulgidus) 		PF02516
(STT3) 		4 LEU A 507
TYR A 832
TRP A 509
TYR A 607
 None
 1.16A 3wipF-3wajA:
undetectable
3wipJ-3wajA:
undetectable		 3wipF-3wajA:
13.05
3wipJ-3wajA:
13.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wjo OCTAPRENYL
DIPHOSPHATE SYNTHASE

(Escherichia
coli) 		PF00348
(polyprenyl_synt) 		4 ARG A 308
LEU A 311
TRP A 307
THR A 305
 None
 1.10A 3wipF-3wjoA:
undetectable
3wipJ-3wjoA:
undetectable		 3wipF-3wjoA:
20.36
3wipJ-3wjoA:
20.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3zdh ACETYLCHOLINE
BINDING PROTEIN

(Lymnaea
stagnalis) 		PF02931
(Neur_chan_LBD) 		5 TYR A  89
TRP A 143
THR A 144
TYR A 185
TYR A 192
 None
XRS  A 301 (-3.6A)
XRS  A 301 ( 4.4A)
XRS  A 301 ( 4.1A)
XRS  A 301 (-3.8A)
 0.39A 3wipF-3zdhA:
32.0
3wipJ-3zdhA:
32.8		 3wipF-3zdhA:
100.00
3wipJ-3zdhA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4aod ACETYLCHOLINE-BINDIN
G PROTEIN TYPE 1

(Biomphalaria
glabrata) 		PF02931
(Neur_chan_LBD) 		4 TRP A 146
THR A 147
TYR A 186
TYR A 193
 None
 0.83A 3wipF-4aodA:
24.5
3wipJ-4aodA:
24.8		 3wipF-4aodA:
37.99
3wipJ-4aodA:
37.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4aoe ACETYLCHOLINE-BINDIN
G PROTEIN TYPE 2

(Biomphalaria
glabrata) 		PF02931
(Neur_chan_LBD) 		4 TYR A  92
TRP A 146
THR A 147
TYR A 186
 None
 0.80A 3wipF-4aoeA:
24.5
3wipJ-4aoeA:
24.8		 3wipF-4aoeA:
33.76
3wipJ-4aoeA:
33.76
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.
4aqt LAMININ SUBUNIT
GAMMA-1

(Mus musculus) 		PF00053
(Laminin_EGF)
PF00055
(Laminin_N) 		4 ARG A 253
TYR A 161
TYR A 175
TYR A 184
 None
NAG  A3001 ( 4.1A)
None
None
 1.24A 3wipF-4aqtA:
undetectable
3wipJ-4aqtA:
undetectable		 3wipF-4aqtA:
20.00
3wipJ-4aqtA:
20.00
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.
4asi ACETYL-COA
CARBOXYLASE 1

(Homo sapiens) 		PF01039
(Carboxyl_trans) 		4 ARG A2255
LEU A2256
TYR A2118
TYR A2145
 None
 1.27A 3wipF-4asiA:
undetectable
3wipJ-4asiA:
undetectable		 3wipF-4asiA:
15.49
3wipJ-4asiA:
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.
4b60 FIBRONECTIN-BINDING
PROTEIN A

(Staphylococcus
aureus) 		PF10425
(SdrG_C_C) 		4 LEU A 348
THR A 381
TYR A 457
TYR A 442
 None
 1.05A 3wipF-4b60A:
2.1
3wipJ-4b60A:
undetectable		 3wipF-4b60A:
21.90
3wipJ-4b60A:
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.
4e14 KYNURENINE
FORMAMIDASE

(Drosophila
melanogaster) 		PF07859
(Abhydrolase_3) 		4 ARG A 194
LEU A 193
TRP A 223
TYR A 255
 None
 1.13A 3wipF-4e14A:
undetectable
3wipJ-4e14A:
undetectable		 3wipF-4e14A:
22.73
3wipJ-4e14A:
22.73
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.
4e69 2-DEHYDRO-3-DEOXYGLU
CONOKINASE

(Oceanicola
granulosus) 		PF00294
(PfkB) 		4 ARG A 141
LEU A 144
TYR A 212
THR A 178
 CL  A 404 (-3.2A)
None
None
None
 1.29A 3wipF-4e69A:
undetectable
3wipJ-4e69A:
undetectable		 3wipF-4e69A:
20.36
3wipJ-4e69A:
20.36
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.
4f41 PROTELOMERASE

(Agrobacterium
fabrum) 		PF16684
(Telomere_res) 		4 LEU A 191
MET A 190
THR A 195
TYR A 176
 None
 1.17A 3wipF-4f41A:
undetectable
3wipJ-4f41A:
undetectable		 3wipF-4f41A:
21.02
3wipJ-4f41A:
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.
4fbv MYXOBACTERIAL
HEMAGGLUTININ

(Myxococcus
xanthus) 		no annotation 4 LEU A  22
TRP A 224
THR A 161
TYR A 138
 None
 1.26A 3wipF-4fbvA:
undetectable
3wipJ-4fbvA:
undetectable		 3wipF-4fbvA:
21.60
3wipJ-4fbvA:
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.
4fgm AMINOPEPTIDASE N
FAMILY PROTEIN

(Idiomarina
loihiensis) 		PF05299
(Peptidase_M61)
PF13180
(PDZ_2) 		4 LEU A 245
THR A 224
TYR A 275
TYR A 223
 None
 1.22A 3wipF-4fgmA:
undetectable
3wipJ-4fgmA:
undetectable		 3wipF-4fgmA:
16.19
3wipJ-4fgmA:
16.19
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.
4gdf LARGE T ANTIGEN

(Macaca mulatta
polyomavirus 1) 		PF02217
(T_Ag_DNA_bind)
PF06431
(Polyoma_lg_T_C) 		4 LEU A 287
MET A 291
TYR A 314
THR A 280
 None
 1.30A 3wipF-4gdfA:
undetectable
3wipJ-4gdfA:
undetectable		 3wipF-4gdfA:
17.10
3wipJ-4gdfA:
17.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4hqp ALPHA7 NICOTINIC
RECEPTOR CHIMERA

(Lymnaea
stagnalis;
Homo sapiens) 		PF02931
(Neur_chan_LBD) 		4 TYR A  91
TRP A 145
THR A 146
TYR A 191
 None
 0.63A 3wipF-4hqpA:
26.8
3wipJ-4hqpA:
26.2		 3wipF-4hqpA:
57.52
3wipJ-4hqpA:
57.52
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.
4igl YENC2

(Yersinia
entomophaga) 		no annotation 4 LEU B 492
TYR B 507
THR B 489
TYR B 651
 None
 1.13A 3wipF-4iglB:
undetectable
3wipJ-4iglB:
undetectable		 3wipF-4iglB:
15.16
3wipJ-4iglB:
15.16
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.
4j6r HEAVY CHAIN OF
ANTIBODY VRC23
LIGHT CHAIN OF
ANTIBODY VRC23

(Homo sapiens;
Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set)
PF07654
(C1-set)
PF07686
(V-set) 		4 ARG H  94
LEU H  34
TYR L  36
TRP H 103
 EDO  H 304 (-2.7A)
None
None
None
 1.26A 3wipF-4j6rH:
undetectable
3wipJ-4j6rH:
undetectable		 3wipF-4j6rH:
23.11
3wipJ-4j6rH:
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.
4k17 LEUCINE-RICH
REPEAT-CONTAINING
PROTEIN 16A

(Mus musculus) 		PF13516
(LRR_6) 		4 ARG A 116
LEU A 150
TRP A 145
THR A 112
 None
 1.18A 3wipF-4k17A:
undetectable
3wipJ-4k17A:
undetectable		 3wipF-4k17A:
15.84
3wipJ-4k17A:
15.84
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.
4kpr THIOREDOXIN
REDUCTASE 1,
CYTOPLASMIC

(Rattus
norvegicus) 		no annotation 4 ARG E 434
LEU E 456
TYR E 402
THR E 461
 None
 1.27A 3wipF-4kprE:
undetectable
3wipJ-4kprE:
undetectable		 3wipF-4kprE:
17.43
3wipJ-4kprE:
17.43
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.
4log MALTOSE ABC
TRANSPORTER
PERIPLASMIC PROTEIN
AND NR2E3 PROTEIN
CHIMERIC CONSTRUCT

(Escherichia
coli;
Homo sapiens) 		PF00104
(Hormone_recep)
PF13416
(SBP_bac_8) 		4 ARG A  68
MET A 338
TYR A 157
TRP A 342
 None
 1.24A 3wipF-4logA:
undetectable
3wipJ-4logA:
undetectable		 3wipF-4logA:
16.73
3wipJ-4logA:
16.73
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.
4n0i GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT A,
MITOCHONDRIAL

(Saccharomyces
cerevisiae) 		PF01425
(Amidase) 		4 ARG A 156
LEU A 432
MET A 434
THR A 392
 None
 1.27A 3wipF-4n0iA:
undetectable
3wipJ-4n0iA:
undetectable		 3wipF-4n0iA:
20.00
3wipJ-4n0iA:
20.00
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.
4n0i GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT A,
MITOCHONDRIAL

(Saccharomyces
cerevisiae) 		PF01425
(Amidase) 		4 LEU A 432
MET A 434
TYR A 256
THR A 392
 None
 1.31A 3wipF-4n0iA:
undetectable
3wipJ-4n0iA:
undetectable		 3wipF-4n0iA:
20.00
3wipJ-4n0iA:
20.00
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.
4o9x TCDB2, TCCC3

(Photorhabdus
luminescens) 		PF03534
(SpvB)
PF12255
(TcdB_toxin_midC)
PF12256
(TcdB_toxin_midN) 		4 TYR A1522
THR A1869
TYR A1874
TYR A1870
 None
 1.31A 3wipF-4o9xA:
undetectable
3wipJ-4o9xA:
undetectable		 3wipF-4o9xA:
6.98
3wipJ-4o9xA:
6.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4oli NON-RECEPTOR
TYROSINE-PROTEIN
KINASE TYK2

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		4 ARG A 952
TYR A1013
THR A 953
TYR A 955
 None
 1.22A 3wipF-4oliA:
undetectable
3wipJ-4oliA:
undetectable		 3wipF-4oliA:
16.43
3wipJ-4oliA:
16.43
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.
4r3f SPLICEOSOMAL PROTEIN
CWC27

(Chaetomium
thermophilum) 		PF00160
(Pro_isomerase) 		4 LEU A 124
MET A 126
TYR A  79
THR A  33
 None
 0.96A 3wipF-4r3fA:
undetectable
3wipJ-4r3fA:
undetectable		 3wipF-4r3fA:
20.80
3wipJ-4r3fA:
20.80
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.
4tn5 FRUCTOSE-LIKE
PHOSPHOTRANSFERASE
ENZYME IIB COMPONENT
3

(Escherichia
coli) 		PF02302
(PTS_IIB) 		4 ARG A  48
LEU A  49
TYR A  18
THR A  45
 None
 0.95A 3wipF-4tn5A:
undetectable
3wipJ-4tn5A:
undetectable		 3wipF-4tn5A:
18.50
3wipJ-4tn5A:
18.50
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.
4uhi STEROL 14-ALPHA
DEMETHYLASE

(Homo sapiens) 		PF00067
(p450) 		4 ARG A 410
LEU A 411
TYR A 426
TYR A 439
 None
 1.22A 3wipF-4uhiA:
undetectable
3wipJ-4uhiA:
undetectable		 3wipF-4uhiA:
17.23
3wipJ-4uhiA:
17.23
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.
4zgv FERREDOXIN RECEPTOR

(Pectobacterium
atrosepticum) 		PF07715
(Plug) 		4 TYR A 362
THR A 416
TYR A 341
TYR A 364
 None
None
BOG  A 903 (-4.1A)
None
 1.26A 3wipF-4zgvA:
undetectable
3wipJ-4zgvA:
undetectable		 3wipF-4zgvA:
14.07
3wipJ-4zgvA:
14.07
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.
5c70 GLUCURONIDASE

(Aspergillus
oryzae) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N) 		4 LEU A 136
THR A  90
TYR A 333
TYR A 109
 None
 1.28A 3wipF-5c70A:
undetectable
3wipJ-5c70A:
undetectable		 3wipF-5c70A:
18.62
3wipJ-5c70A:
18.62
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.
5dl6 PUTATIVE PORIN FOR
VANILLATE
TRAFFICKING (VANP)

(Acinetobacter
baumannii) 		PF03573
(OprD) 		4 ARG A 124
LEU A 125
THR A  74
TYR A  17
 None
 1.21A 3wipF-5dl6A:
undetectable
3wipJ-5dl6A:
undetectable		 3wipF-5dl6A:
19.63
3wipJ-5dl6A:
19.63
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.
5do8 LMO0184 PROTEIN

(Listeria
monocytogenes) 		no annotation 4 ARG B  92
LEU B  89
TYR B 420
TYR B  13
 None
 1.29A 3wipF-5do8B:
undetectable
3wipJ-5do8B:
undetectable		 3wipF-5do8B:
17.30
3wipJ-5do8B:
17.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fjv NEURONAL
ACETYLCHOLINE
RECEPTOR SUBUNIT
ALPHA-2

(Homo sapiens) 		PF02931
(Neur_chan_LBD) 		5 TYR A 122
TRP A 178
THR A 179
TYR A 219
TYR A 226
 EPJ  A 300 (-4.6A)
EPJ  A 300 (-3.7A)
EPJ  A 300 (-3.3A)
EPJ  A 300 (-3.7A)
EPJ  A 300 (-3.7A)
 0.65A 3wipF-5fjvA:
22.6
3wipJ-5fjvA:
23.0		 3wipF-5fjvA:
27.35
3wipJ-5fjvA:
27.35
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.
5ftx SURFACE LAYER
PROTEIN

(Geobacillus
stearothermophilus) 		no annotation 4 LEU A 454
TYR A 583
THR A 548
TYR A 465
 None
 1.30A 3wipF-5ftxA:
undetectable
3wipJ-5ftxA:
undetectable		 3wipF-5ftxA:
17.74
3wipJ-5ftxA:
17.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5k2y PROBABLE PERIPLASMIC
SUGAR-BINDING
LIPOPROTEIN USPC

(Mycobacterium
tuberculosis) 		PF01547
(SBP_bac_1) 		4 ARG A  44
LEU A  74
TRP A  98
TYR A  77
 None
 1.19A 3wipF-5k2yA:
undetectable
3wipJ-5k2yA:
undetectable		 3wipF-5k2yA:
17.39
3wipJ-5k2yA:
17.39
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.
5kxi NEURONAL
ACETYLCHOLINE
RECEPTOR SUBUNIT
ALPHA-4

(Homo sapiens) 		PF02931
(Neur_chan_LBD)
PF02932
(Neur_chan_memb) 		5 TYR A 100
TRP A 156
THR A 157
TYR A 197
TYR A 204
 NCT  A 402 (-4.8A)
NCT  A 402 (-3.9A)
NCT  A 402 (-4.6A)
NCT  A 402 ( 4.9A)
NCT  A 402 (-3.8A)
 0.74A 3wipF-5kxiA:
23.2
3wipJ-5kxiA:
23.5		 3wipF-5kxiA:
20.93
3wipJ-5kxiA:
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.
5lx8 SUSD HOMOLOG

(Bacteroides
thetaiotaomicron) 		PF07980
(SusD_RagB)
PF14322
(SusD-like_3) 		4 ARG A 432
LEU A 429
THR A 255
TYR A 265
 None
 1.20A 3wipF-5lx8A:
undetectable
3wipJ-5lx8A:
undetectable		 3wipF-5lx8A:
15.95
3wipJ-5lx8A:
15.95
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.
5mm4 KINESIN-5

(Ustilago maydis) 		no annotation 4 LEU K 331
TYR K 367
THR K 309
TYR K 108
 None
 1.02A 3wipF-5mm4K:
undetectable
3wipJ-5mm4K:
undetectable		 3wipF-5mm4K:
undetectable
3wipJ-5mm4K:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mpq TRANSGLYCOSYLASE

(Neisseria
meningitidis) 		PF01464
(SLT)
PF14718
(SLT_L) 		4 ARG A 515
LEU A 516
TYR A 527
TYR A 508
 None
None
BLG  A 601 (-3.6A)
BLG  A 601 (-4.2A)
 1.10A 3wipF-5mpqA:
undetectable
3wipJ-5mpqA:
undetectable		 3wipF-5mpqA:
15.85
3wipJ-5mpqA:
15.85
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.
5nug CYTOPLASMIC DYNEIN 1
HEAVY CHAIN 1

(Homo sapiens) 		PF03028
(Dynein_heavy)
PF07728
(AAA_5)
PF08393
(DHC_N2)
PF12774
(AAA_6)
PF12775
(AAA_7)
PF12777
(MT)
PF12780
(AAA_8)
PF12781
(AAA_9) 		4 ARG A2383
LEU A2382
THR A2421
TYR A2426
 None
 1.12A 3wipF-5nugA:
undetectable
3wipJ-5nugA:
undetectable		 3wipF-5nugA:
4.18
3wipJ-5nugA:
4.18
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.
5nx2 GLUCAGON-LIKE
PEPTIDE 1 RECEPTOR

(Homo sapiens) 		PF00002
(7tm_2)
PF02793
(HRM) 		4 ARG A 215
TYR A  88
TRP A 214
TYR A  69
 None
 1.29A 3wipF-5nx2A:
undetectable
3wipJ-5nx2A:
undetectable		 3wipF-5nx2A:
19.46
3wipJ-5nx2A:
19.46
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.
5oko PHOSPHATIDYLINOSITOL
3,4,5-TRISPHOSPHATE
5-PHOSPHATASE 2

(Homo sapiens) 		PF03372
(Exo_endo_phos) 		4 LEU A 451
TRP A 688
THR A 660
TYR A 671
 None
 1.05A 3wipF-5okoA:
undetectable
3wipJ-5okoA:
undetectable		 3wipF-5okoA:
23.29
3wipJ-5okoA:
23.29
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.
5swi SUGAR HYDROLASE

(Streptococcus
pneumoniae) 		no annotation 4 LEU B 269
TYR B 625
TRP B 610
THR B 312
 None
 1.31A 3wipF-5swiB:
undetectable
3wipJ-5swiB:
undetectable		 3wipF-5swiB:
15.21
3wipJ-5swiB:
15.21
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.
5u7z ACID CERAMIDASE

(Homo sapiens) 		no annotation 4 ARG B 333
LEU B 364
THR B 144
TYR B 370
 SO4  B 406 (-3.7A)
None
None
None
 1.10A 3wipF-5u7zB:
undetectable
3wipJ-5u7zB:
undetectable		 3wipF-5u7zB:
undetectable
3wipJ-5u7zB:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5uao TRYPTOPHANE-5-HALOGE
NASE

(Microbispora
sp. ATCC
PTA-5024) 		PF04820
(Trp_halogenase) 		4 ARG A 338
LEU A 239
MET A 342
TRP A 337
 None
 1.05A 3wipF-5uaoA:
undetectable
3wipJ-5uaoA:
undetectable		 3wipF-5uaoA:
18.47
3wipJ-5uaoA:
18.47
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.
5vbu CYTOCHROME P450
21-HYDROXYLASE

(Homo sapiens) 		PF00067
(p450) 		4 ARG A 480
LEU A 481
MET A 151
THR A 157
 None
 1.18A 3wipF-5vbuA:
undetectable
3wipJ-5vbuA:
undetectable		 3wipF-5vbuA:
17.72
3wipJ-5vbuA:
17.72
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.
5x06 DNAA REGULATORY
INACTIVATOR HDA

(Escherichia
coli) 		no annotation 4 ARG E  56
LEU E 162
TYR E  45
THR E 135
 ADP  E1001 (-4.1A)
None
None
None
 1.07A 3wipF-5x06E:
undetectable
3wipJ-5x06E:
undetectable		 3wipF-5x06E:
undetectable
3wipJ-5x06E:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xyi RIBOSOMAL PROTEIN
S3, PUTATIVE
PLECTIN/S10 DOMAIN
CONTAINING PROTEIN

(Trichomonas
vaginalis;
Trichomonas
vaginalis) 		PF00189
(Ribosomal_S3_C)
PF07650
(KH_2)
PF03501
(S10_plectin) 		4 ARG D  28
LEU D  25
TYR K  42
TYR K  65
 A  21245 ( 3.9A)
None
None
None
 1.09A 3wipF-5xyiD:
undetectable
3wipJ-5xyiD:
undetectable		 3wipF-5xyiD:
20.66
3wipJ-5xyiD:
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.
5y1i CYTOCHROME P450

(Streptomyces
graminofaciens) 		PF00067
(p450) 		4 LEU A 373
MET A 256
THR A 261
TYR A 293
 None
HEM  A 501 (-4.8A)
None
None
 1.14A 3wipF-5y1iA:
undetectable
3wipJ-5y1iA:
undetectable		 3wipF-5y1iA:
19.69
3wipJ-5y1iA:
19.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5y3r DNA-DEPENDENT
PROTEIN KINASE
CATALYTIC SUBUNIT

(Homo sapiens) 		PF00454
(PI3_PI4_kinase)
PF02259
(FAT)
PF02260
(FATC)
PF08163
(NUC194) 		4 ARG C 964
LEU C1009
THR C 965
TYR C 984
 None
 1.19A 3wipF-5y3rC:
undetectable
3wipJ-5y3rC:
undetectable		 3wipF-5y3rC:
4.75
3wipJ-5y3rC:
4.75
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.
5zzn


(;
) 		no annotation
no annotation 		4 ARG U  39
THR V  63
TYR U  42
TYR V  82
 None
None
None
HEM  V 201 (-4.6A)
 1.29A 3wipF-5zznU:
undetectable
3wipJ-5zznU:
undetectable		 3wipF-5zznU:
undetectable
3wipJ-5zznU:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6dd3 CYTOSOLIC PURINE
5'-NUCLEOTIDASE

(Homo sapiens) 		no annotation 4 ARG A  98
THR A 155
TYR A  65
TYR A  55
 None
 1.26A 3wipF-6dd3A:
undetectable
3wipJ-6dd3A:
undetectable		 3wipF-6dd3A:
undetectable
3wipJ-6dd3A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6eon BETA-GALACTOSIDASE

(Bacteroides
thetaiotaomicron) 		no annotation 4 ARG A 275
LEU A 280
TYR A 323
TYR A 297
 None
None
None
GLA  A 801 (-4.5A)
 1.30A 3wipF-6eonA:
undetectable
3wipJ-6eonA:
undetectable		 3wipF-6eonA:
14.25
3wipJ-6eonA:
14.25
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.
6fm9 UDP-N-ACETYLGLUCOSAM
INE--DOLICHYL-PHOSPH
ATE
N-ACETYLGLUCOSAMINEP
HOSPHOTRANSFERASE

(Homo sapiens) 		no annotation 4 ARG A 303
MET A 316
THR A 362
TYR A 288
 None
 1.20A 3wipF-6fm9A:
undetectable
3wipJ-6fm9A:
undetectable		 3wipF-6fm9A:
undetectable
3wipJ-6fm9A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6g72 NADH-UBIQUINONE
OXIDOREDUCTASE CHAIN
1
NADH DEHYDROGENASE
[UBIQUINONE] 1 ALPHA
SUBCOMPLEX SUBUNIT
13

(Mus musculus;
Mus musculus) 		no annotation
no annotation 		4 ARG Z  56
LEU Z  59
TYR H 248
THR H 167
 None
 1.17A 3wipF-6g72Z:
undetectable
3wipJ-6g72Z:
undetectable		 3wipF-6g72Z:
undetectable
3wipJ-6g72Z:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6g72 NADH DEHYDROGENASE
[UBIQUINONE] 1 BETA
SUBCOMPLEX SUBUNIT 6
NADH DEHYDROGENASE
[UBIQUINONE] 1 BETA
SUBCOMPLEX SUBUNIT 4
NADH DEHYDROGENASE
[UBIQUINONE] 1 BETA
SUBCOMPLEX SUBUNIT 9

(Mus musculus;
Mus musculus;
Mus musculus) 		no annotation
no annotation
no annotation 		4 ARG i  18
LEU i  14
TYR m  50
THR n 171
 None
 1.22A 3wipF-6g72i:
undetectable
3wipJ-6g72i:
undetectable		 3wipF-6g72i:
undetectable
3wipJ-6g72i:
undetectable