SIMILAR PATTERNS OF AMINO ACIDS FOR 1K5Q_B_PACB559

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.
1a1s ORNITHINE
CARBAMOYLTRANSFERASE

(Pyrococcus
furiosus) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		4 ALA A 173
TYR A 142
SER A 209
ALA A 199
 None
 0.88A 1k5qA-1a1sA:
0.0
1k5qB-1a1sA:
0.0		 1k5qA-1a1sA:
24.34
1k5qB-1a1sA:
20.35
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.
1c0n PROTEIN (CSDB
PROTEIN)

(Escherichia
coli) 		PF00266
(Aminotran_5) 		4 SER A 381
ALA A 383
TYR A 385
ALA A  30
 None
None
None
ACY  A 550 ( 4.9A)
 0.89A 1k5qA-1c0nA:
0.2
1k5qB-1c0nA:
undetectable		 1k5qA-1c0nA:
20.35
1k5qB-1c0nA:
21.44
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.
1cp9 PENICILLIN G AMIDASE

(Providencia
rettgeri) 		PF01804
(Penicil_amidase) 		4 SER B   1
PRO B  22
SER B  67
ALA B  69
 None
 0.89A 1k5qA-1cp9B:
0.0
1k5qB-1cp9B:
57.6		 1k5qA-1cp9B:
18.64
1k5qB-1cp9B:
64.09
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.
1cp9 PENICILLIN G AMIDASE

(Providencia
rettgeri) 		PF01804
(Penicil_amidase) 		4 SER B   1
TYR B  31
SER B  67
ALA B  69
 None
 0.84A 1k5qA-1cp9B:
0.0
1k5qB-1cp9B:
57.6		 1k5qA-1cp9B:
18.64
1k5qB-1cp9B:
64.09
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.
1fi4 MEVALONATE
5-DIPHOSPHATE
DECARBOXYLASE

(Saccharomyces
cerevisiae) 		PF00288
(GHMP_kinases_N) 		4 SER A 146
ALA A 156
SER A 178
ALA A 180
 None
 1.05A 1k5qA-1fi4A:
0.0
1k5qB-1fi4A:
0.1		 1k5qA-1fi4A:
19.66
1k5qB-1fi4A:
22.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1for IGG2A-KAPPA 17-IA
FAB (HEAVY CHAIN)

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 SER H 208
PRO H 206
ALA H 204
ALA H 124
 None
 1.01A 1k5qA-1forH:
undetectable
1k5qB-1forH:
undetectable		 1k5qA-1forH:
19.31
1k5qB-1forH:
17.06
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.
1gxn PECTATE LYASE

(Cellvibrio
japonicus) 		PF09492
(Pec_lyase) 		4 ALA A 447
TYR A 494
SER A 536
ALA A 511
 None
 0.94A 1k5qA-1gxnA:
0.3
1k5qB-1gxnA:
undetectable		 1k5qA-1gxnA:
18.86
1k5qB-1gxnA:
21.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hju BETA-1,4-GALACTANASE

(Thermothelomyces
thermophila) 		PF07745
(Glyco_hydro_53) 		4 PRO A  52
ALA A  53
SER A  83
ALA A  96
 None
 1.06A 1k5qA-1hjuA:
0.0
1k5qB-1hjuA:
0.0		 1k5qA-1hjuA:
20.18
1k5qB-1hjuA:
21.46
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.
1k5s PENICILLIN G ACYLASE
BETA SUBUNIT

(Escherichia
coli) 		PF01804
(Penicil_amidase) 		6 SER B   1
PRO B  22
ALA B  24
TYR B  31
SER B  67
ALA B  69
 GRO  B 601 (-2.3A)
None
GRO  B 601 ( 4.0A)
None
GRO  B 601 (-4.6A)
GRO  B 601 (-3.0A)
 0.35A 1k5qA-1k5sB:
0.0
1k5qB-1k5sB:
61.9		 1k5qA-1k5sB:
15.99
1k5qB-1k5sB:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kcv PC282 IMMUNOGLOBULIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 SER H 205
PRO H 203
ALA H 208
ALA H 121
 None
 0.98A 1k5qA-1kcvH:
undetectable
1k5qB-1kcvH:
0.0		 1k5qA-1kcvH:
19.42
1k5qB-1kcvH:
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.
1lbq FERROCHELATASE

(Saccharomyces
cerevisiae) 		PF00762
(Ferrochelatase) 		4 PRO A 249
ALA A 253
SER A 236
ALA A 234
 None
 0.91A 1k5qA-1lbqA:
undetectable
1k5qB-1lbqA:
undetectable		 1k5qA-1lbqA:
23.01
1k5qB-1lbqA:
20.25
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.
1ndg IMMUNOGLOBULIN GAMMA
1 CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 SER B 513
PRO B 511
ALA B 516
ALA B 418
 None
 1.00A 1k5qA-1ndgB:
undetectable
1k5qB-1ndgB:
undetectable		 1k5qA-1ndgB:
19.83
1k5qB-1ndgB:
16.52
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.
1qlb FUMARATE REDUCTASE
FLAVOPROTEIN SUBUNIT

(Wolinella
succinogenes) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C) 		4 MET A 399
TYR A 370
SER A 411
ALA A 416
 None
FAD  A1656 (-4.3A)
None
None
 0.91A 1k5qA-1qlbA:
undetectable
1k5qB-1qlbA:
undetectable		 1k5qA-1qlbA:
15.51
1k5qB-1qlbA:
22.33
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.
1vmi PUTATIVE PHOSPHATE
ACETYLTRANSFERASE

(Escherichia
coli) 		PF01515
(PTA_PTB) 		4 PRO A 291
ALA A 288
TYR A 277
SER A 304
 None
None
None
GOL  A 344 (-3.3A)
 1.02A 1k5qA-1vmiA:
undetectable
1k5qB-1vmiA:
undetectable		 1k5qA-1vmiA:
23.30
1k5qB-1vmiA:
19.23
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.
1yqe HYPOTHETICAL UPF0204
PROTEIN AF0625

(Archaeoglobus
fulgidus) 		PF04414
(tRNA_deacylase) 		4 SER A 148
PRO A 147
SER A 145
ALA A 106
 None
 0.98A 1k5qA-1yqeA:
undetectable
1k5qB-1yqeA:
1.0		 1k5qA-1yqeA:
21.65
1k5qB-1yqeA:
19.12
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.
2gdu SUCROSE
PHOSPHORYLASE

(Bifidobacterium
adolescentis) 		PF00128
(Alpha-amylase)
PF09244
(DUF1964) 		4 ALA A 364
TYR A 350
SER A 264
ALA A 262
 None
 1.07A 1k5qA-2gduA:
undetectable
1k5qB-2gduA:
undetectable		 1k5qA-2gduA:
16.67
1k5qB-2gduA:
22.30
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.
2gwm 65 KDA VIRULENCE
PROTEIN

(Salmonella
enterica) 		PF03496
(ADPrib_exo_Tox) 		4 ALA A 423
TYR A 418
SER A 448
ALA A 446
 None
 0.87A 1k5qA-2gwmA:
undetectable
1k5qB-2gwmA:
undetectable		 1k5qA-2gwmA:
24.89
1k5qB-2gwmA:
17.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hk3 DIPHOSPHOMEVALONATE
DECARBOXYLASE

(Staphylococcus
aureus) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C) 		4 SER A 132
ALA A 142
SER A 162
ALA A 164
 None
 0.81A 1k5qA-2hk3A:
undetectable
1k5qB-2hk3A:
undetectable		 1k5qA-2hk3A:
23.56
1k5qB-2hk3A:
20.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2iqt FRUCTOSE-BISPHOSPHAT
E ALDOLASE CLASS 1

(Porphyromonas
gingivalis) 		PF00274
(Glycolytic) 		4 SER A 237
ALA A 257
SER A 241
ALA A 262
 None
 1.07A 1k5qA-2iqtA:
undetectable
1k5qB-2iqtA:
undetectable		 1k5qA-2iqtA:
20.26
1k5qB-2iqtA:
21.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wnp FICOLIN-1

(Homo sapiens) 		PF00147
(Fibrinogen_C) 		4 ALA F 189
TYR F 191
SER F 278
ALA F 280
 None
 1.07A 1k5qA-2wnpF:
undetectable
1k5qB-2wnpF:
undetectable		 1k5qA-2wnpF:
22.31
1k5qB-2wnpF:
15.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2x9p PIMD PROTEIN

(Streptomyces
natalensis) 		PF00067
(p450) 		4 MET A 359
PRO A 148
ALA A 150
ALA A 124
 None
 1.00A 1k5qA-2x9pA:
1.3
1k5qB-2x9pA:
0.6		 1k5qA-2x9pA:
19.19
1k5qB-2x9pA:
21.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yeq ALKALINE PHOSPHATASE
D

(Bacillus
subtilis) 		PF09423
(PhoD)
PF16655
(PhoD_N) 		4 ALA A 454
TYR A 456
SER A 387
ALA A 403
 None
 1.04A 1k5qA-2yeqA:
undetectable
1k5qB-2yeqA:
undetectable		 1k5qA-2yeqA:
17.49
1k5qB-2yeqA:
20.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yet GH61 ISOZYME A

(Thermoascus
aurantiacus) 		PF03443
(Glyco_hydro_61) 		4 SER A  85
PRO A  83
ALA A 162
TYR A 175
 None
HIC  A   1 ( 4.8A)
None
HIC  A   1 (-4.7A)
 1.02A 1k5qA-2yetA:
undetectable
1k5qB-2yetA:
undetectable		 1k5qA-2yetA:
23.83
1k5qB-2yetA:
18.09
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.
2yfq NAD-SPECIFIC
GLUTAMATE
DEHYDROGENASE

(Peptoniphilus
asaccharolyticus) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		4 SER A  69
ALA A  65
SER A  88
ALA A  61
 None
 1.02A 1k5qA-2yfqA:
undetectable
1k5qB-2yfqA:
undetectable		 1k5qA-2yfqA:
16.63
1k5qB-2yfqA:
21.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3a14 1-DEOXY-D-XYLULOSE
5-PHOSPHATE
REDUCTOISOMERASE

(Thermotoga
maritima) 		PF02670
(DXP_reductoisom)
PF08436
(DXP_redisom_C)
PF13288
(DXPR_C) 		4 MET A 254
PRO A 140
ALA A 261
ALA A 115
 NDP  A3001 ( 4.2A)
None
None
NDP  A3001 (-3.9A)
 1.03A 1k5qA-3a14A:
undetectable
1k5qB-3a14A:
undetectable		 1k5qA-3a14A:
19.59
1k5qB-3a14A:
20.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3co8 ALANINE RACEMASE

(Oenococcus oeni) 		PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N) 		4 SER A  29
ALA A 205
SER A 218
ALA A 220
 None
 0.98A 1k5qA-3co8A:
undetectable
1k5qB-3co8A:
undetectable		 1k5qA-3co8A:
19.73
1k5qB-3co8A:
21.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3csk PROBABLE
DIPEPTIDYL-PEPTIDASE
3

(Saccharomyces
cerevisiae) 		PF03571
(Peptidase_M49) 		4 SER A  13
PRO A  11
SER A 428
ALA A 424
 None
 1.08A 1k5qA-3cskA:
undetectable
1k5qB-3cskA:
undetectable		 1k5qA-3cskA:
14.78
1k5qB-3cskA:
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.
3ctz XAA-PRO
AMINOPEPTIDASE 1

(Homo sapiens) 		PF00557
(Peptidase_M24)
PF01321
(Creatinase_N)
PF16188
(Peptidase_M24_C)
PF16189
(Creatinase_N_2) 		4 SER A 416
ALA A 418
TYR A 420
ALA A 366
 None
 1.02A 1k5qA-3ctzA:
undetectable
1k5qB-3ctzA:
undetectable		 1k5qA-3ctzA:
16.75
1k5qB-3ctzA:
22.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3f0n MEVALONATE
PYROPHOSPHATE
DECARBOXYLASE

(Mus musculus) 		PF00288
(GHMP_kinases_N) 		4 SER A 149
ALA A 159
SER A 181
ALA A 183
 None
 1.06A 1k5qA-3f0nA:
undetectable
1k5qB-3f0nA:
undetectable		 1k5qA-3f0nA:
19.18
1k5qB-3f0nA:
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.
3f7q INTEGRIN BETA-4

(Homo sapiens) 		PF00041
(fn3) 		4 SER A1221
PRO A1220
TYR A1253
ALA A1244
 None
 0.93A 1k5qA-3f7qA:
undetectable
1k5qB-3f7qA:
undetectable		 1k5qA-3f7qA:
19.07
1k5qB-3f7qA:
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.
3g0o 3-HYDROXYISOBUTYRATE
DEHYDROGENASE

(Salmonella
enterica) 		PF03446
(NAD_binding_2)
PF14833
(NAD_binding_11) 		4 MET A 122
SER A 175
ALA A 143
ALA A 108
 None
 1.06A 1k5qA-3g0oA:
undetectable
1k5qB-3g0oA:
undetectable		 1k5qA-3g0oA:
22.22
1k5qB-3g0oA:
20.83
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.
3h1l MITOCHONDRIAL
UBIQUINOL-CYTOCHROME
-C REDUCTASE COMPLEX
CORE PROTEIN I

(Gallus gallus) 		PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C) 		4 ALA A  96
TYR A  89
SER A  45
ALA A  43
 None
 1.07A 1k5qA-3h1lA:
undetectable
1k5qB-3h1lA:
1.0		 1k5qA-3h1lA:
18.78
1k5qB-3h1lA:
22.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ieh PUTATIVE
METALLOPEPTIDASE

(Shewanella
baltica) 		PF04952
(AstE_AspA) 		4 SER A  67
ALA A 159
SER A  63
ALA A  61
 None
 0.94A 1k5qA-3iehA:
undetectable
1k5qB-3iehA:
undetectable		 1k5qA-3iehA:
20.42
1k5qB-3iehA:
19.71
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.
3kdj PROTEIN PHOSPHATASE
2C 56

(Arabidopsis
thaliana) 		PF00481
(PP2C) 		4 SER B 276
ALA B 257
SER B 262
ALA B 264
 None
 0.95A 1k5qA-3kdjB:
undetectable
1k5qB-3kdjB:
undetectable		 1k5qA-3kdjB:
20.82
1k5qB-3kdjB:
21.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kor POSSIBLE TRP
REPRESSOR

(Staphylococcus
aureus) 		PF01371
(Trp_repressor) 		4 ALA A  50
TYR A  87
SER A  42
ALA A  68
 None
 0.90A 1k5qA-3korA:
undetectable
1k5qB-3korA:
undetectable		 1k5qA-3korA:
20.28
1k5qB-3korA:
12.66
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.
3l2k EHPF

(Pantoea
agglomerans) 		PF00501
(AMP-binding) 		4 SER A 289
ALA A  15
SER A 340
ALA A 343
 None
 1.02A 1k5qA-3l2kA:
undetectable
1k5qB-3l2kA:
undetectable		 1k5qA-3l2kA:
20.95
1k5qB-3l2kA:
22.86
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.
3lew SUSD-LIKE
CARBOHYDRATE BINDING
PROTEIN

(Bacteroides
vulgatus) 		PF07980
(SusD_RagB)
PF14322
(SusD-like_3) 		4 SER A 158
ALA A 160
SER A 190
ALA A 167
 None
 1.06A 1k5qA-3lewA:
undetectable
1k5qB-3lewA:
undetectable		 1k5qA-3lewA:
17.40
1k5qB-3lewA:
22.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ml0 PENICILLIN G
ACYLASE, ALPHA
SUBUNIT
PENICILLIN G
ACYLASE, BETA
SUBUNIT

(Alcaligenes
faecalis;
Alcaligenes
faecalis) 		PF01804
(Penicil_amidase)
PF01804
(Penicil_amidase) 		4 MET A 143
SER B   1
PRO B  22
ALA B  69
 None
 0.66A 1k5qA-3ml0A:
22.2
1k5qB-3ml0A:
undetectable		 1k5qA-3ml0A:
48.04
1k5qB-3ml0A:
16.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ml0 PENICILLIN G
ACYLASE, ALPHA
SUBUNIT
PENICILLIN G
ACYLASE, BETA
SUBUNIT

(Alcaligenes
faecalis;
Alcaligenes
faecalis) 		PF01804
(Penicil_amidase)
PF01804
(Penicil_amidase) 		4 MET A 143
SER B   1
TYR B  31
ALA B  69
 None
 0.80A 1k5qA-3ml0A:
22.2
1k5qB-3ml0A:
undetectable		 1k5qA-3ml0A:
48.04
1k5qB-3ml0A:
16.57
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.
3mq3 PYRUVATE
DEHYDROGENASE
PHOSPHATASE 1

(Bos taurus) 		PF00481
(PP2C) 		4 SER A 240
ALA A 216
SER A 221
ALA A 223
 None
 0.96A 1k5qA-3mq3A:
0.0
1k5qB-3mq3A:
undetectable		 1k5qA-3mq3A:
18.55
1k5qB-3mq3A:
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.
3t58 SULFHYDRYL OXIDASE 1

(Mus musculus) 		PF00085
(Thioredoxin)
PF04777
(Evr1_Alr) 		4 SER A 425
ALA A 421
TYR A 343
ALA A 433
 None
 1.03A 1k5qA-3t58A:
undetectable
1k5qB-3t58A:
undetectable		 1k5qA-3t58A:
17.73
1k5qB-3t58A:
22.00
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.
3u0f BETA-KETOACYL
SYNTHASE

(Brucella
abortus) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		4 SER A 104
PRO A 107
SER A 138
ALA A 140
 None
 1.02A 1k5qA-3u0fA:
undetectable
1k5qB-3u0fA:
undetectable		 1k5qA-3u0fA:
20.72
1k5qB-3u0fA:
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.
3ujk PROTEIN PHOSPHATASE
2C 77

(Arabidopsis
thaliana) 		PF00481
(PP2C) 		4 SER A 266
ALA A 247
SER A 252
ALA A 254
 None
 0.91A 1k5qA-3ujkA:
undetectable
1k5qB-3ujkA:
2.5		 1k5qA-3ujkA:
19.45
1k5qB-3ujkA:
21.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3upn PENICILLIN-BINDING
PROTEIN A

(Mycobacterium
tuberculosis) 		PF00905
(Transpeptidase) 		4 PRO A  81
ALA A  85
TYR A 181
ALA A  63
 None
 1.03A 1k5qA-3upnA:
undetectable
1k5qB-3upnA:
undetectable		 1k5qA-3upnA:
19.95
1k5qB-3upnA:
24.15
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.
3v57 PHYCOERYTHRIN ALPHA
SUBUNIT

(Porphyridium
purpureum) 		PF00502
(Phycobilisome) 		4 ALA A 113
TYR A 117
SER A 164
ALA A 162
 None
 0.96A 1k5qA-3v57A:
undetectable
1k5qB-3v57A:
undetectable		 1k5qA-3v57A:
21.33
1k5qB-3v57A:
14.23
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.
3vse PUTATIVE
UNCHARACTERIZED
PROTEIN

(Staphylococcus
aureus) 		PF10672
(Methyltrans_SAM) 		4 ALA A 227
TYR A 185
SER A 234
ALA A 232
 SAH  A 401 ( 4.7A)
None
None
None
 0.94A 1k5qA-3vseA:
undetectable
1k5qB-3vseA:
undetectable		 1k5qA-3vseA:
22.29
1k5qB-3vseA:
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.
3zhy 1-DEOXY-D-XYLULOSE
5-PHOSPHATE
REDUCTOISOMERASE

(Mycobacterium
tuberculosis) 		PF02670
(DXP_reductoisom)
PF08436
(DXP_redisom_C)
PF13288
(DXPR_C) 		4 MET A 267
PRO A 149
ALA A 274
ALA A 126
 FM6  A 501 (-3.8A)
None
None
NDP  A 601 (-3.4A)
 1.00A 1k5qA-3zhyA:
undetectable
1k5qB-3zhyA:
2.5		 1k5qA-3zhyA:
19.19
1k5qB-3zhyA:
23.52
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.
3zyv AOX3

(Mus musculus) 		PF00111
(Fer2)
PF00941
(FAD_binding_5)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2)
PF03450
(CO_deh_flav_C) 		4 PRO A1156
ALA A1143
TYR A1020
SER A1011
 None
 1.06A 1k5qA-3zyvA:
undetectable
1k5qB-3zyvA:
undetectable		 1k5qA-3zyvA:
9.16
1k5qB-3zyvA:
17.01
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.
4aq1 SBSB PROTEIN

(Geobacillus
stearothermophilus) 		no annotation 4 SER C 452
PRO C 455
ALA C 479
ALA C 460
 None
 1.07A 1k5qA-4aq1C:
undetectable
1k5qB-4aq1C:
undetectable		 1k5qA-4aq1C:
12.50
1k5qB-4aq1C:
21.89
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.
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima) 		PF03030
(H_PPase) 		4 SER A 459
ALA A 464
SER A 127
ALA A  98
 None
 1.07A 1k5qA-4av6A:
0.6
1k5qB-4av6A:
1.7		 1k5qA-4av6A:
14.41
1k5qB-4av6A:
21.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4b8e E3 UBIQUITIN/ISG15
LIGASE TRIM25

(Mus musculus) 		PF00622
(SPRY)
PF13765
(PRY) 		4 ALA A 471
TYR A 493
SER A 478
ALA A 484
 None
 1.02A 1k5qA-4b8eA:
undetectable
1k5qB-4b8eA:
undetectable		 1k5qA-4b8eA:
21.28
1k5qB-4b8eA:
16.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dpy MEVALONATE
DIPHOSPHATE
DECARBOXYLASE

(Staphylococcus
epidermidis) 		PF00288
(GHMP_kinases_N) 		4 SER A 132
ALA A 142
SER A 162
ALA A 164
 None
 0.85A 1k5qA-4dpyA:
undetectable
1k5qB-4dpyA:
undetectable		 1k5qA-4dpyA:
22.39
1k5qB-4dpyA:
19.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4eis POLYSACCHARIDE
MONOOXYGENASE-3

(Neurospora
crassa) 		PF03443
(Glyco_hydro_61) 		4 SER B  81
PRO B  79
ALA B 158
TYR B 171
 None
HIC  B   1 ( 3.7A)
None
HIC  B   1 (-3.5A)
 0.98A 1k5qA-4eisB:
undetectable
1k5qB-4eisB:
undetectable		 1k5qA-4eisB:
22.13
1k5qB-4eisB:
17.99
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.
4fmf POLIOVIRUS
RECEPTOR-RELATED
PROTEIN 1

(Homo sapiens) 		PF07686
(V-set)
PF08205
(C2-set_2)
PF13927
(Ig_3) 		4 SER A 209
ALA A 170
SER A 184
ALA A 193
 None
 1.02A 1k5qA-4fmfA:
undetectable
1k5qB-4fmfA:
undetectable		 1k5qA-4fmfA:
22.57
1k5qB-4fmfA:
20.89
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.
4fmv GLUCURONOARABINOXYLA
N
ENDO-1,4-BETA-XYLANA
SE

([Clostridium]
papyrosolvens) 		PF02055
(Glyco_hydro_30)
PF17189
(Glyco_hydro_30C) 		4 MET A  34
ALA A 274
SER A  23
ALA A  21
 None
 0.92A 1k5qA-4fmvA:
undetectable
1k5qB-4fmvA:
undetectable		 1k5qA-4fmvA:
18.21
1k5qB-4fmvA:
21.35
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.
4fqd NIKO PROTEIN

(Streptomyces
tendae) 		PF00275
(EPSP_synthase) 		4 SER A 252
PRO A 250
ALA A  47
ALA A 233
 None
 1.02A 1k5qA-4fqdA:
undetectable
1k5qB-4fqdA:
undetectable		 1k5qA-4fqdA:
16.11
1k5qB-4fqdA:
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.
4j0k TANNASE

(Lactobacillus
plantarum) 		no annotation 4 PRO A 130
ALA A 393
TYR A 180
ALA A 386
 None
 1.06A 1k5qA-4j0kA:
undetectable
1k5qB-4j0kA:
undetectable		 1k5qA-4j0kA:
19.21
1k5qB-4j0kA:
23.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jsb ENOYL-COA HYDRATASE

(Thermobifida
fusca) 		PF00378
(ECH_1) 		4 MET A  43
SER A  72
ALA A 136
ALA A  38
 None
 1.06A 1k5qA-4jsbA:
undetectable
1k5qB-4jsbA:
undetectable		 1k5qA-4jsbA:
20.13
1k5qB-4jsbA:
20.35
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.
4m5p NADPH DEHYDROGENASE

(Scheffersomyces
stipitis) 		PF00724
(Oxidored_FMN) 		4 PRO A 131
ALA A 147
SER A 133
ALA A 136
 None
 1.05A 1k5qA-4m5pA:
undetectable
1k5qB-4m5pA:
undetectable		 1k5qA-4m5pA:
18.93
1k5qB-4m5pA:
21.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mbg CAAX
FARNESYLTRANSFERASE
BETA SUBUNIT RAM1

(Aspergillus
fumigatus) 		PF00432
(Prenyltrans) 		4 PRO B 152
ALA B 149
SER B 203
ALA B 201
 None
None
None
K  B 605 (-3.4A)
 1.04A 1k5qA-4mbgB:
undetectable
1k5qB-4mbgB:
undetectable		 1k5qA-4mbgB:
19.29
1k5qB-4mbgB:
23.97
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.
4mt1 DRUG EFFLUX PROTEIN

(Neisseria
gonorrhoeae) 		PF00873
(ACR_tran) 		5 SER A 752
PRO A  50
ALA A  52
TYR A  49
SER A 754
 None
 1.27A 1k5qA-4mt1A:
1.2
1k5qB-4mt1A:
undetectable		 1k5qA-4mt1A:
11.48
1k5qB-4mt1A:
19.91
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.
4n2x DL-2-HALOACID
DEHALOGENASE

(Methylobacterium
sp. CPA1) 		PF10778
(DehI) 		4 PRO A  89
ALA A 208
TYR A 204
SER A 289
 None
 0.82A 1k5qA-4n2xA:
undetectable
1k5qB-4n2xA:
undetectable		 1k5qA-4n2xA:
20.90
1k5qB-4n2xA:
20.72
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.
4ng3 5-CARBOXYVANILLATE
DECARBOXYLASE

(Sphingomonas
paucimobilis) 		PF04909
(Amidohydro_2) 		4 SER A 144
PRO A 174
ALA A 176
SER A 202
 None
 1.04A 1k5qA-4ng3A:
undetectable
1k5qB-4ng3A:
undetectable		 1k5qA-4ng3A:
22.55
1k5qB-4ng3A:
21.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4oic PROBABLE PROTEIN
PHOSPHATASE 2C 6

(Oryza sativa) 		PF00481
(PP2C) 		4 SER B 315
ALA B 296
SER B 301
ALA B 303
 None
 0.95A 1k5qA-4oicB:
0.0
1k5qB-4oicB:
undetectable		 1k5qA-4oicB:
17.06
1k5qB-4oicB:
21.88
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.
4p2l SULFHYDRYL OXIDASE 1

(Rattus
norvegicus) 		PF00085
(Thioredoxin)
PF04777
(Evr1_Alr) 		4 SER A 425
ALA A 421
TYR A 343
ALA A 433
 None
 1.04A 1k5qA-4p2lA:
undetectable
1k5qB-4p2lA:
undetectable		 1k5qA-4p2lA:
17.93
1k5qB-4p2lA:
21.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4pel PENICILLIN G ACYLASE
SUBUNIT ALPHA
PENICILLIN G ACYLASE
SUBUNIT BETA

(Kluyvera
cryocrescens;
Kluyvera
cryocrescens) 		PF01804
(Penicil_amidase)
PF01804
(Penicil_amidase) 		5 MET A 142
PRO B  22
TYR B  31
SER B  67
ALA B  69
 None
 0.61A 1k5qA-4pelA:
25.6
1k5qB-4pelA:
undetectable		 1k5qA-4pelA:
76.13
1k5qB-4pelA:
17.70
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.
4q58 INTEGRIN BETA-4

(Homo sapiens) 		PF00041
(fn3) 		4 SER C1221
PRO C1220
TYR C1253
ALA C1244
 None
 0.99A 1k5qA-4q58C:
undetectable
1k5qB-4q58C:
undetectable		 1k5qA-4q58C:
19.18
1k5qB-4q58C:
15.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4v12 MAOC LIKE DOMAIN
PROTEIN

(Mycolicibacterium
smegmatis) 		PF01575
(MaoC_dehydratas)
PF13452
(MaoC_dehydrat_N) 		4 SER A 326
ALA A 324
TYR A 304
ALA A 293
 None
 1.00A 1k5qA-4v12A:
undetectable
1k5qB-4v12A:
undetectable		 1k5qA-4v12A:
19.13
1k5qB-4v12A:
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.
4w8p TALIN-1

(Mus musculus) 		no annotation 4 PRO A1464
ALA A1468
SER A1582
ALA A1576
 None
 0.79A 1k5qA-4w8pA:
0.7
1k5qB-4w8pA:
undetectable		 1k5qA-4w8pA:
19.16
1k5qB-4w8pA:
20.40
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.
4zn6 1-DEOXY-D-XYLULOSE
5-PHOSPHATE
REDUCTOISOMERASE

(Acinetobacter
baumannii) 		PF02670
(DXP_reductoisom)
PF08436
(DXP_redisom_C)
PF13288
(DXPR_C) 		4 MET A 284
PRO A 157
ALA A 291
ALA A 132
 None
EDO  A 503 (-4.5A)
None
None
 0.97A 1k5qA-4zn6A:
undetectable
1k5qB-4zn6A:
2.4		 1k5qA-4zn6A:
20.79
1k5qB-4zn6A:
23.42
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.
4zq8 ISOPRENOID SYNTHASE

(Streptomyces
lydicus) 		no annotation 4 SER A 161
PRO A 158
ALA A 132
ALA A 103
 None
 1.03A 1k5qA-4zq8A:
undetectable
1k5qB-4zq8A:
undetectable		 1k5qA-4zq8A:
20.05
1k5qB-4zq8A:
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.
4zqg 1-DEOXY-D-XYLULOSE
5-PHOSPHATE
REDUCTOISOMERASE

(Moraxella
catarrhalis) 		PF02670
(DXP_reductoisom)
PF08436
(DXP_redisom_C)
PF13288
(DXPR_C) 		4 MET A 279
PRO A 151
ALA A 286
ALA A 126
 NAD  A 501 (-3.8A)
None
None
NAD  A 501 (-3.1A)
 1.01A 1k5qA-4zqgA:
undetectable
1k5qB-4zqgA:
undetectable		 1k5qA-4zqgA:
19.66
1k5qB-4zqgA:
20.57
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.
5bxp LACTO-N-BIOSIDASE

(Bifidobacterium
bifidum) 		PF00728
(Glyco_hydro_20)
PF02838
(Glyco_hydro_20b)
PF14200
(RicinB_lectin_2) 		4 SER A 421
PRO A 466
SER A 468
ALA A 424
 LOG  A 702 ( 4.5A)
GAL  A 701 (-3.7A)
None
SO4  A 705 (-3.5A)
 0.99A 1k5qA-5bxpA:
undetectable
1k5qB-5bxpA:
undetectable		 1k5qA-5bxpA:
14.93
1k5qB-5bxpA:
20.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cxp POSSIBLE XYLAN
DEGRADATION ENZYME
(GLYCOSYL HYDROLASE
FAMILY 30-LIKE
DOMAIN AND RICIN
B-LIKE DOMAIN)

(Clostridium
acetobutylicum) 		PF02055
(Glyco_hydro_30) 		4 MET A 177
ALA A 219
TYR A 216
ALA A 198
 None
 1.07A 1k5qA-5cxpA:
undetectable
1k5qB-5cxpA:
undetectable		 1k5qA-5cxpA:
19.18
1k5qB-5cxpA:
20.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ft6 CYSTEINE DESULFURASE
CSDA

(Escherichia
coli) 		PF00266
(Aminotran_5) 		4 SER A 375
ALA A 377
TYR A 379
ALA A  26
 None
 0.82A 1k5qA-5ft6A:
undetectable
1k5qB-5ft6A:
undetectable		 1k5qA-5ft6A:
20.31
1k5qB-5ft6A:
23.86
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.
5fxe EUGENOL OXIDASE

(Rhodococcus
jostii) 		PF01565
(FAD_binding_4)
PF02913
(FAD-oxidase_C) 		4 SER A  99
PRO A  54
ALA A  95
ALA A  51
 None
 1.02A 1k5qA-5fxeA:
undetectable
1k5qB-5fxeA:
undetectable		 1k5qA-5fxeA:
17.59
1k5qB-5fxeA:
22.33
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.
5gka CAPSID PROTEIN VP0

(Aichivirus A) 		PF00073
(Rhv) 		4 PRO B 129
ALA B 131
SER B 143
ALA B 145
 None
 1.06A 1k5qA-5gkaB:
undetectable
1k5qB-5gkaB:
undetectable		 1k5qA-5gkaB:
21.65
1k5qB-5gkaB:
21.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5h1q INNEXIN-6

(Caenorhabditis
elegans) 		PF00876
(Innexin) 		4 MET A 342
ALA A 140
TYR A 135
SER A 170
 None
 1.08A 1k5qA-5h1qA:
undetectable
1k5qB-5h1qA:
undetectable		 1k5qA-5h1qA:
19.90
1k5qB-5h1qA:
21.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5h3b UNCHARACTERIZED
PROTEIN HI_1552

(Haemophilus
influenzae) 		PF04301
(DUF452) 		4 ALA A  26
TYR A 133
SER A  65
ALA A  18
 None
None
IPA  A 302 (-2.6A)
None
 0.97A 1k5qA-5h3bA:
undetectable
1k5qB-5h3bA:
undetectable		 1k5qA-5h3bA:
23.39
1k5qB-5h3bA:
16.49
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.
5hcc COMPLEMENT C5

(Homo sapiens) 		PF00207
(A2M)
PF01759
(NTR)
PF01821
(ANATO)
PF07677
(A2M_recep)
PF07678
(A2M_comp) 		4 MET A1057
SER A1103
ALA A1082
SER A1099
 EDO  A2003 (-4.2A)
None
None
EDO  A2003 (-3.4A)
 1.04A 1k5qA-5hccA:
undetectable
1k5qB-5hccA:
undetectable		 1k5qA-5hccA:
12.93
1k5qB-5hccA:
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.
5htp PROBABLE SUGAR
KINASE

(Synechococcus
elongatus) 		PF02782
(FGGY_C) 		4 SER A 146
ALA A  67
SER A 156
ALA A 142
 None
 1.05A 1k5qA-5htpA:
undetectable
1k5qB-5htpA:
undetectable		 1k5qA-5htpA:
19.75
1k5qB-5htpA:
22.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5j57 VHH SINGLE CHAIN
ANTIBODY V5E1

(Vicugna pacos) 		PF07686
(V-set) 		4 ALA B  49
TYR B  60
SER B  52
ALA B  34
 None
 1.02A 1k5qA-5j57B:
undetectable
1k5qB-5j57B:
undetectable		 1k5qA-5j57B:
17.54
1k5qB-5j57B:
14.02
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.
5l2r FUMARATE HYDRATASE

(Leishmania
major) 		PF05681
(Fumerase)
PF05683
(Fumerase_C) 		4 SER A 132
PRO A 131
ALA A 517
ALA A 348
 None
None
None
SF4  A 608 (-3.5A)
 1.01A 1k5qA-5l2rA:
undetectable
1k5qB-5l2rA:
undetectable		 1k5qA-5l2rA:
14.61
1k5qB-5l2rA:
21.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5msy GLYCOSIDE HYDROLASE

(Bacteroides
thetaiotaomicron) 		PF12904
(Collagen_bind_2)
PF13204
(DUF4038) 		4 MET A 158
SER A 203
ALA A 165
ALA A 199
 None
 0.97A 1k5qA-5msyA:
undetectable
1k5qB-5msyA:
undetectable		 1k5qA-5msyA:
18.57
1k5qB-5msyA:
20.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5oet GLUTATHIONE
SYNTHETASE-LIKE
EFFECTOR 30
(GPA-GSS30-APO)

(Globodera
pallida) 		no annotation 4 MET B 111
ALA B 104
TYR B 169
ALA B 376
 None
 0.95A 1k5qA-5oetB:
undetectable
1k5qB-5oetB:
undetectable		 1k5qA-5oetB:
undetectable
1k5qB-5oetB:
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.
5v2m MEVALONATE
DIPHOSPHATE
DECARBOXYLASE

(Enterococcus
faecalis) 		no annotation 4 SER A 131
ALA A 141
SER A 161
ALA A 163
 None
 0.84A 1k5qA-5v2mA:
undetectable
1k5qB-5v2mA:
undetectable		 1k5qA-5v2mA:
20.78
1k5qB-5v2mA:
22.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vgr ATLASTIN-3

(Homo sapiens) 		PF02263
(GBP)
PF02841
(GBP_C) 		4 ALA A 350
TYR A 324
SER A 358
ALA A 356
 None
 0.90A 1k5qA-5vgrA:
undetectable
1k5qB-5vgrA:
undetectable		 1k5qA-5vgrA:
17.41
1k5qB-5vgrA:
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.
5vpr CYSTEINE DESULFURASE

(Elizabethkingia
anophelis) 		PF00266
(Aminotran_5) 		4 SER A 381
ALA A 383
TYR A 385
ALA A  29
 None
 0.85A 1k5qA-5vprA:
undetectable
1k5qB-5vprA:
undetectable		 1k5qA-5vprA:
20.29
1k5qB-5vprA:
21.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5x1n VANILLATE/3-O-METHYL
GALLATE
O-DEMETHYLASE

(Sphingobium sp.
SYK-6) 		PF01571
(GCV_T)
PF08669
(GCV_T_C) 		4 PRO A 368
ALA A 370
SER A 397
ALA A 403
 None
 1.06A 1k5qA-5x1nA:
undetectable
1k5qB-5x1nA:
undetectable		 1k5qA-5x1nA:
16.30
1k5qB-5x1nA:
22.30
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.
5x49 PROBABLE XAA-PRO
AMINOPEPTIDASE 3

(Homo sapiens) 		PF00557
(Peptidase_M24)
PF05195
(AMP_N) 		4 ALA A 299
TYR A 300
SER A 263
ALA A 258
 None
01B  A 604 (-3.5A)
None
None
 1.07A 1k5qA-5x49A:
undetectable
1k5qB-5x49A:
undetectable		 1k5qA-5x49A:
19.34
1k5qB-5x49A:
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.
5x6a ENDOGLUCANASE,
PUTATIVE

(Aspergillus
fumigatus) 		no annotation 4 SER A  85
PRO A  83
ALA A 162
TYR A 175
 None
 1.02A 1k5qA-5x6aA:
undetectable
1k5qB-5x6aA:
undetectable		 1k5qA-5x6aA:
undetectable
1k5qB-5x6aA:
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.
5xde THERMOPHILIC
DIBENZOTHIOPHENE
DESULFURIZATION
ENZYME C

(Paenibacillus
sp. A11-2) 		PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N)
PF08028
(Acyl-CoA_dh_2) 		4 SER A 278
ALA A 362
TYR A 299
SER A 276
 None
 1.06A 1k5qA-5xdeA:
0.7
1k5qB-5xdeA:
undetectable		 1k5qA-5xdeA:
19.81
1k5qB-5xdeA:
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.
5xfs PPE FAMILY PROTEIN
PPE15

(Mycobacterium
tuberculosis) 		PF00823
(PPE) 		4 MET B  24
ALA B  86
SER B 158
ALA B  92
 None
 0.96A 1k5qA-5xfsB:
undetectable
1k5qB-5xfsB:
undetectable		 1k5qA-5xfsB:
17.94
1k5qB-5xfsB:
16.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xmj FUMARATE REDUCTASE
FLAVOPROTEIN SUBUNIT

(Desulfovibrio
gigas) 		no annotation 4 MET A 248
SER A 391
ALA A 383
ALA A 396
 None
 1.07A 1k5qA-5xmjA:
undetectable
1k5qB-5xmjA:
undetectable		 1k5qA-5xmjA:
undetectable
1k5qB-5xmjA:
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.
5y2z LEUCINE-RICH
GLIOMA-INACTIVATED
PROTEIN 1

(Homo sapiens) 		no annotation 4 ALA B 434
TYR B 433
SER B 351
ALA B 349
 None
 1.06A 1k5qA-5y2zB:
undetectable
1k5qB-5y2zB:
undetectable		 1k5qA-5y2zB:
undetectable
1k5qB-5y2zB:
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.
6bpd MONOCLONAL ANTIBODY
10B12 FAB HEAVY
CHAIN

(Mus musculus) 		no annotation 4 ALA A  43
TYR A  46
SER A  73
ALA A  91
 None
 1.02A 1k5qA-6bpdA:
undetectable
1k5qB-6bpdA:
undetectable		 1k5qA-6bpdA:
undetectable
1k5qB-6bpdA:
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.
6cr0 (S)-6-HYDROXYNICOTIN
E OXIDASE

(Shinella sp.
HZN7) 		no annotation 4 SER A  25
ALA A  20
SER A  30
ALA A 223
 None
 0.83A 1k5qA-6cr0A:
undetectable
1k5qB-6cr0A:
undetectable		 1k5qA-6cr0A:
19.56
1k5qB-6cr0A:
22.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6cyz HOMOSERINE KINASE

(Mycobacteroides
abscessus) 		no annotation 4 SER A  18
ALA A  20
SER A 102
ALA A 104
 None
None
ANP  A 401 (-1.8A)
None
 0.99A 1k5qA-6cyzA:
undetectable
1k5qB-6cyzA:
undetectable		 1k5qA-6cyzA:
undetectable
1k5qB-6cyzA:
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.
6flm E3 UBIQUITIN/ISG15
LIGASE TRIM25

(Homo sapiens) 		no annotation 4 ALA A 466
TYR A 488
SER A 473
ALA A 479
 None
 0.99A 1k5qA-6flmA:
undetectable
1k5qB-6flmA:
undetectable		 1k5qA-6flmA:
undetectable
1k5qB-6flmA:
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.
6fln E3 UBIQUITIN/ISG15
LIGASE TRIM25

(Homo sapiens) 		no annotation 4 ALA A 466
TYR A 488
SER A 473
ALA A 479
 None
 1.02A 1k5qA-6flnA:
undetectable
1k5qB-6flnA:
undetectable		 1k5qA-6flnA:
undetectable
1k5qB-6flnA:
undetectable