SIMILAR PATTERNS OF AMINO ACIDS FOR 4KYK_B_IMNB300

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.
1ct9 ASPARAGINE
SYNTHETASE B

(Escherichia
coli) 		PF00733
(Asn_synthase)
PF13537
(GATase_7) 		5 PHE A 436
ALA A 438
LEU A 432
PHE A 408
LYS A 248
 None
 1.03A 4kykA-1ct9A:
0.0
4kykB-1ct9A:
0.0		 4kykA-1ct9A:
17.53
4kykB-1ct9A:
17.53
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.
1fy2 ASPARTYL DIPEPTIDASE

(Salmonella
enterica) 		PF03575
(Peptidase_S51) 		5 ALA A 123
PHE A 150
LEU A 152
GLY A 207
LEU A 223
 None
 1.03A 4kykA-1fy2A:
0.8
4kykB-1fy2A:
0.9		 4kykA-1fy2A:
20.25
4kykB-1fy2A:
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.
1h7w DIHYDROPYRIMIDINE
DEHYDROGENASE

(Sus scrofa) 		PF01180
(DHO_dh)
PF07992
(Pyr_redox_2)
PF14691
(Fer4_20)
PF14697
(Fer4_21) 		5 ALA A 198
LEU A 261
GLY A 484
LEU A 442
PHE A 456
 FAD  A1031 (-3.4A)
FAD  A1031 (-4.5A)
None
None
None
 1.06A 4kykA-1h7wA:
0.0
4kykB-1h7wA:
0.0		 4kykA-1h7wA:
11.31
4kykB-1h7wA:
11.31
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.
1hfu LACCASE 1

(Coprinopsis
cinerea) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 PHE A 450
PHE A 466
LEU A 385
GLY A 461
LEU A 333
 None
 1.28A 4kykA-1hfuA:
0.0
4kykB-1hfuA:
0.0		 4kykA-1hfuA:
16.85
4kykB-1hfuA:
16.85
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.
1ka9 IMIDAZOLE GLYCEROL
PHOSPHATE SYNTHASE

(Thermus
thermophilus) 		PF00977
(His_biosynth) 		5 ALA F 217
PHE F 215
LEU F 242
GLY F 203
PHE F 228
 None
 1.23A 4kykA-1ka9F:
0.0
4kykB-1ka9F:
0.0		 4kykA-1ka9F:
21.24
4kykB-1ka9F:
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.
1ka9 IMIDAZOLE GLYCEROL
PHOSPHATE SYNTHASE

(Thermus
thermophilus) 		PF00977
(His_biosynth) 		5 ALA F 217
PHE F 215
LEU F 242
GLY F 204
PHE F 228
 None
 1.19A 4kykA-1ka9F:
0.0
4kykB-1ka9F:
0.0		 4kykA-1ka9F:
21.24
4kykB-1ka9F:
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.
1qqg INSULIN RECEPTOR
SUBSTRATE 1

(Homo sapiens) 		PF00169
(PH)
PF02174
(IRS) 		5 PHE A 194
ALA A 203
LEU A 185
PHE A 221
GLY A 232
 None
 1.28A 4kykA-1qqgA:
0.3
4kykB-1qqgA:
0.1		 4kykA-1qqgA:
19.53
4kykB-1qqgA:
19.53
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.
1r4a ADP-RIBOSYLATION
FACTOR-LIKE PROTEIN
1

(Rattus
norvegicus) 		PF00025
(Arf) 		5 ALA A 109
MET A 110
LEU A 143
LYS A  30
GLY A  70
 None
None
None
GNP  A1201 (-2.9A)
GNP  A1201 (-3.9A)
 1.29A 4kykA-1r4aA:
0.2
4kykB-1r4aA:
0.4		 4kykA-1r4aA:
22.66
4kykB-1r4aA:
22.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1slc BOVINE GALECTIN-1

(Bos taurus) 		PF00337
(Gal-bind_lectin) 		5 PHE A  30
ALA A 122
PHE A  77
LEU A 100
PHE A 106
 None
 1.29A 4kykA-1slcA:
0.0
4kykB-1slcA:
0.1		 4kykA-1slcA:
22.46
4kykB-1slcA:
22.46
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.
1sp8 4-HYDROXYPHENYLPYRUV
ATE DIOXYGENASE

(Zea mays) 		PF00903
(Glyoxalase) 		5 PHE A  66
PHE A 101
LEU A  54
LEU A 304
PHE A 217
 None
 1.19A 4kykA-1sp8A:
0.5
4kykB-1sp8A:
5.8		 4kykA-1sp8A:
18.48
4kykB-1sp8A:
18.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tuh HYPOTHETICAL PROTEIN
EGC068

(uncultured
bacterium) 		PF12680
(SnoaL_2) 		5 PHE A  72
ALA A  70
PHE A  75
LEU A  43
PHE A 124
 None
 1.27A 4kykA-1tuhA:
1.6
4kykB-1tuhA:
1.5		 4kykA-1tuhA:
21.74
4kykB-1tuhA:
21.74
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.
1tuh HYPOTHETICAL PROTEIN
EGC068

(uncultured
bacterium) 		PF12680
(SnoaL_2) 		5 PHE A  75
ALA A  73
PHE A 124
GLY A  63
PHE A 138
 None
 1.07A 4kykA-1tuhA:
1.6
4kykB-1tuhA:
1.5		 4kykA-1tuhA:
21.74
4kykB-1tuhA:
21.74
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.
1tw6 BACULOVIRAL IAP
REPEAT-CONTAINING
PROTEIN 7

(Homo sapiens) 		PF00653
(BIR) 		5 ALA A 110
PHE A 113
LEU A 131
GLY A 159
LYS A 158
 None
 1.12A 4kykA-1tw6A:
undetectable
4kykB-1tw6A:
undetectable		 4kykA-1tw6A:
20.74
4kykB-1tw6A:
20.74
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.
1w5d PENICILLIN-BINDING
PROTEIN

(Bacillus
subtilis) 		PF02113
(Peptidase_S13) 		5 ALA A 456
LEU A 365
PHE A 374
LYS A 297
GLY A 392
 None
 1.16A 4kykA-1w5dA:
undetectable
4kykB-1w5dA:
undetectable		 4kykA-1w5dA:
18.74
4kykB-1w5dA:
18.74
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.
1wvv CHITINASE C

(Streptomyces
griseus) 		PF00182
(Glyco_hydro_19) 		5 PHE A  98
ALA A  96
GLY A  90
LEU A 118
PHE A 124
 None
 1.23A 4kykA-1wvvA:
undetectable
4kykB-1wvvA:
undetectable		 4kykA-1wvvA:
20.85
4kykB-1wvvA:
20.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2a81 CARB

(Pectobacterium
carotovorum) 		PF00378
(ECH_1) 		5 PHE A 112
ALA A 105
PHE A  24
LEU A  86
GLY A  53
 None
 1.15A 4kykA-2a81A:
undetectable
4kykB-2a81A:
undetectable		 4kykA-2a81A:
21.54
4kykB-2a81A:
21.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bri URIDYLATE KINASE

(Pyrococcus
furiosus) 		PF00696
(AA_kinase) 		5 PHE A   5
ALA A  39
LEU A 210
GLY A  43
PHE A  21
 None
None
None
ANP  A1226 (-3.6A)
None
 1.27A 4kykA-2briA:
undetectable
4kykB-2briA:
undetectable		 4kykA-2briA:
23.66
4kykB-2briA:
23.66
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.
2d5r CCR4-NOT
TRANSCRIPTION
COMPLEX SUBUNIT 7

(Homo sapiens) 		PF04857
(CAF1) 		5 PHE A 136
LEU A 140
PHE A 189
GLY A 228
PHE A  81
 None
 0.99A 4kykA-2d5rA:
1.2
4kykB-2d5rA:
1.3		 4kykA-2d5rA:
20.00
4kykB-2d5rA:
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.
2fel 3-CARBOXY-CIS,CIS-MU
CONATE LACTONIZING
ENZYME

(Agrobacterium
tumefaciens) 		PF00206
(Lyase_1) 		5 ALA A 186
LEU A 241
MET A 117
LEU A 116
PHE A  24
 None
 1.19A 4kykA-2felA:
undetectable
4kykB-2felA:
undetectable		 4kykA-2felA:
20.17
4kykB-2felA:
20.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gh9 MALTOSE/MALTODEXTRIN
-BINDING PROTEIN

(Thermus
thermophilus) 		PF13416
(SBP_bac_8) 		5 PHE A 162
ALA A 165
PHE A 198
LEU A 202
LEU A 117
 None
 1.24A 4kykA-2gh9A:
undetectable
4kykB-2gh9A:
undetectable		 4kykA-2gh9A:
20.47
4kykB-2gh9A:
20.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gsz TWITCHING MOTILITY
PROTEIN PILT

(Aquifex
aeolicus) 		PF00437
(T2SSE) 		5 ALA A 230
LEU A 269
GLY A 216
MET A 218
LEU A 241
 None
 1.21A 4kykA-2gszA:
undetectable
4kykB-2gszA:
undetectable		 4kykA-2gszA:
18.13
4kykB-2gszA:
18.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gsz TWITCHING MOTILITY
PROTEIN PILT

(Aquifex
aeolicus) 		PF00437
(T2SSE) 		5 ALA A 230
LEU A 273
GLY A 216
MET A 218
LEU A 241
 None
 1.15A 4kykA-2gszA:
undetectable
4kykB-2gszA:
undetectable		 4kykA-2gszA:
18.13
4kykB-2gszA:
18.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2h21 RIBULOSE-1,5
BISPHOSPHATE
CARBOXYLASE/OXYGENAS
E

(Pisum sativum) 		PF00856
(SET)
PF09273
(Rubis-subs-bind) 		5 ALA A  53
PHE A  57
LEU A  61
GLY A  81
LEU A  84
 None
None
None
SAM  A 801 (-3.7A)
None
 1.24A 4kykA-2h21A:
undetectable
4kykB-2h21A:
undetectable		 4kykA-2h21A:
17.95
4kykB-2h21A:
17.95
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.
2ix8 ELONGATION FACTOR 3A

(Saccharomyces
cerevisiae) 		PF00005
(ABC_tran) 		5 MET A1880
PHE A1647
PHE A1954
GLY A1909
LEU A1919
 None
 1.22A 4kykA-2ix8A:
undetectable
4kykB-2ix8A:
undetectable		 4kykA-2ix8A:
11.72
4kykB-2ix8A:
11.72
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.
2k7n PEPTIDYL-PROLYL
CIS-TRANS
ISOMERASE-LIKE 1

(Homo sapiens) 		PF00160
(Pro_isomerase) 		5 PHE A 112
ALA A 101
MET A 100
LEU A  25
GLY A  74
 None
 1.23A 4kykA-2k7nA:
undetectable
4kykB-2k7nA:
undetectable		 4kykA-2k7nA:
20.75
4kykB-2k7nA:
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.
2o62 HYPOTHETICAL PROTEIN

(Nostoc
punctiforme) 		PF12204
(DUF3598) 		5 PHE A  78
PHE A  72
LEU A  70
GLY A  13
LEU A  49
 None
 1.18A 4kykA-2o62A:
undetectable
4kykB-2o62A:
undetectable		 4kykA-2o62A:
21.26
4kykB-2o62A:
21.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pz1 RHO GUANINE
NUCLEOTIDE EXCHANGE
FACTOR 4

(Homo sapiens) 		PF00018
(SH3_1)
PF00169
(PH)
PF00621
(RhoGEF) 		5 PHE A 573
LEU A 506
GLY A 551
MET A 549
LEU A 547
 None
 1.28A 4kykA-2pz1A:
undetectable
4kykB-2pz1A:
undetectable		 4kykA-2pz1A:
17.20
4kykB-2pz1A:
17.20
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.
2q0l THIOREDOXIN
REDUCTASE

(Helicobacter
pylori) 		PF07992
(Pyr_redox_2) 		5 ALA A 293
LEU A  30
PHE A  70
GLY A  58
MET A  62
 FAD  A 400 (-3.6A)
None
None
None
None
 1.29A 4kykA-2q0lA:
undetectable
4kykB-2q0lA:
undetectable		 4kykA-2q0lA:
21.86
4kykB-2q0lA:
21.86
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.
2uv8 FATTY ACID SYNTHASE
SUBUNIT BETA (FAS1)

(Saccharomyces
cerevisiae) 		PF00698
(Acyl_transf_1)
PF01575
(MaoC_dehydratas)
PF08354
(DUF1729)
PF13452
(MaoC_dehydrat_N)
PF16073
(SAT) 		5 PHE G 548
ALA G 103
LEU G 256
GLY G 542
LEU G 502
 None
 1.25A 4kykA-2uv8G:
undetectable
4kykB-2uv8G:
undetectable		 4kykA-2uv8G:
6.51
4kykB-2uv8G:
6.51
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.
2vsq SURFACTIN SYNTHETASE
SUBUNIT 3

(Bacillus
subtilis) 		PF00501
(AMP-binding)
PF00550
(PP-binding)
PF00668
(Condensation)
PF00975
(Thioesterase)
PF13193
(AMP-binding_C) 		5 PHE A 215
ALA A 216
PHE A 413
LEU A 417
GLY A 804
 None
 1.21A 4kykA-2vsqA:
undetectable
4kykB-2vsqA:
undetectable		 4kykA-2vsqA:
8.93
4kykB-2vsqA:
8.93
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.
2vsu P-HYDROXYCINNAMOYL
COA HYDRATASE/LYASE

(Pseudomonas
fluorescens) 		PF00378
(ECH_1) 		5 ALA C  62
LEU C 197
GLY C  69
LEU C 125
PHE C 139
 None
 1.14A 4kykA-2vsuC:
undetectable
4kykB-2vsuC:
undetectable		 4kykA-2vsuC:
20.64
4kykB-2vsuC:
20.64
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.
2xxl GRAM-POSITIVE
SPECIFIC SERINE
PROTEASE, ISOFORM B

(Drosophila
melanogaster) 		PF00089
(Trypsin)
PF12032
(CLIP) 		5 ALA A 134
LEU A 226
GLY A 112
LEU A 244
PHE A 104
 None
 1.16A 4kykA-2xxlA:
undetectable
4kykB-2xxlA:
undetectable		 4kykA-2xxlA:
18.25
4kykB-2xxlA:
18.25
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.
2z1k (NEO)PULLULANASE

(Thermus
thermophilus) 		PF00128
(Alpha-amylase) 		5 ALA A   7
LEU A  59
PHE A  17
GLY A 198
LEU A  69
 None
 1.22A 4kykA-2z1kA:
undetectable
4kykB-2z1kA:
undetectable		 4kykA-2z1kA:
16.28
4kykB-2z1kA:
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.
2zfd CALCINEURIN B-LIKE
PROTEIN 2
PUTATIVE
UNCHARACTERIZED
PROTEIN T20L15_90

(Arabidopsis
thaliana) 		PF03822
(NAF)
PF13499
(EF-hand_7)
PF13833
(EF-hand_8) 		5 PHE A  42
LEU A 207
PHE B 328
GLY A 103
PHE A  94
 None
 1.20A 4kykA-2zfdA:
undetectable
4kykB-2zfdA:
undetectable		 4kykA-2zfdA:
21.52
4kykB-2zfdA:
21.52
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.
3amj ZINC PEPTIDASE
INACTIVE SUBUNIT

(Sphingomonas
sp. A1) 		PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C) 		5 ALA B 223
LEU B 130
GLY B  32
LEU B 234
PHE B  52
 None
 1.17A 4kykA-3amjB:
undetectable
4kykB-3amjB:
undetectable		 4kykA-3amjB:
18.38
4kykB-3amjB:
18.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ddu PROLYL ENDOPEPTIDASE

(Homo sapiens) 		PF00326
(Peptidase_S9)
PF02897
(Peptidase_S9_N) 		5 PHE A 476
PHE A 586
GLY A 552
LEU A 558
PHE A 527
 552  A 901 (-3.5A)
None
None
None
None
 1.16A 4kykA-3dduA:
2.7
4kykB-3dduA:
1.5		 4kykA-3dduA:
13.66
4kykB-3dduA:
13.66
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.
3e4f AMINOGLYCOSIDE
N3-ACETYLTRANSFERASE

(Bacillus
anthracis) 		PF02522
(Antibiotic_NAT) 		5 PHE A 133
ALA A 134
LEU A 159
GLY A 111
MET A 110
 None
None
None
CIT  A 267 (-3.6A)
None
 1.14A 4kykA-3e4fA:
undetectable
4kykB-3e4fA:
undetectable		 4kykA-3e4fA:
19.78
4kykB-3e4fA:
19.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ij3 CYTOSOL
AMINOPEPTIDASE

(Coxiella
burnetii) 		PF00883
(Peptidase_M17) 		5 PHE A 352
ALA A 422
LEU A 376
GLY A 252
LEU A 336
 None
 1.24A 4kykA-3ij3A:
0.4
4kykB-3ij3A:
undetectable		 4kykA-3ij3A:
19.68
4kykB-3ij3A:
19.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3jvv TWITCHING MOBILITY
PROTEIN

(Pseudomonas
aeruginosa) 		PF00437
(T2SSE) 		5 ALA A 217
LEU A 256
GLY A 203
MET A 205
LEU A 228
 None
 1.22A 4kykA-3jvvA:
undetectable
4kykB-3jvvA:
undetectable		 4kykA-3jvvA:
19.06
4kykB-3jvvA:
19.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3k7y ASPARTATE
AMINOTRANSFERASE

(Plasmodium
falciparum) 		PF00155
(Aminotran_1_2) 		5 PHE A 234
ALA A 240
PHE A 212
LEU A 230
LEU A 168
 None
 1.23A 4kykA-3k7yA:
undetectable
4kykB-3k7yA:
undetectable		 4kykA-3k7yA:
17.15
4kykB-3k7yA:
17.15
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.
3kzx HAD-SUPERFAMILY
HYDROLASE, SUBFAMILY
IA, VARIANT 1

(Ehrlichia
chaffeensis) 		PF13419
(HAD_2) 		5 ALA A   6
LEU A 207
GLY A 163
LEU A 192
PHE A 194
 None
 1.25A 4kykA-3kzxA:
undetectable
4kykB-3kzxA:
undetectable		 4kykA-3kzxA:
24.48
4kykB-3kzxA:
24.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3m2m GALECTIN-1

(Rattus
norvegicus) 		PF00337
(Gal-bind_lectin) 		5 PHE A  30
ALA A 122
PHE A  77
LEU A 100
PHE A 106
 None
 1.24A 4kykA-3m2mA:
undetectable
4kykB-3m2mA:
undetectable		 4kykA-3m2mA:
21.74
4kykB-3m2mA:
21.74
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.
3ndp ADENYLATE KINASE
ISOENZYME 4

(Homo sapiens) 		PF00406
(ADK)
PF05191
(ADK_lid) 		5 ALA A  26
PHE A 210
LEU A 108
GLY A  17
PHE A 194
 None
None
None
SO4  A 501 (-3.0A)
None
 1.15A 4kykA-3ndpA:
undetectable
4kykB-3ndpA:
undetectable		 4kykA-3ndpA:
25.21
4kykB-3ndpA:
25.21
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.
3qsg NAD-BINDING
PHOSPHOGLUCONATE
DEHYDROGENASE-LIKE
PROTEIN

(Alicyclobacillus
acidocaldarius) 		PF03807
(F420_oxidored)
PF09130
(DUF1932) 		5 PHE A   5
LEU A  66
GLY A 152
LEU A 134
PHE A 144
 None
 1.12A 4kykA-3qsgA:
undetectable
4kykB-3qsgA:
undetectable		 4kykA-3qsgA:
15.26
4kykB-3qsgA:
15.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ryl PROTEIN VPA1370

(Vibrio
parahaemolyticus) 		no annotation 5 PHE A 457
LEU A 453
GLY A 414
MET A 412
LEU A 409
 None
 1.21A 4kykA-3rylA:
undetectable
4kykB-3rylA:
undetectable		 4kykA-3rylA:
19.92
4kykB-3rylA:
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.
3sma FRBF

(Streptomyces
rubellomurinus) 		PF02522
(Antibiotic_NAT) 		5 PHE A 143
ALA A 144
LEU A 169
GLY A 121
MET A 120
 None
None
None
ACO  A 300 (-3.4A)
ACO  A 300 (-4.1A)
 0.99A 4kykA-3smaA:
undetectable
4kykB-3smaA:
undetectable		 4kykA-3smaA:
19.93
4kykB-3smaA:
19.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3sma FRBF

(Streptomyces
rubellomurinus) 		PF02522
(Antibiotic_NAT) 		5 PHE A 143
ALA A 144
MET A  77
LEU A 169
GLY A 119
 None
 1.22A 4kykA-3smaA:
undetectable
4kykB-3smaA:
undetectable		 4kykA-3smaA:
19.93
4kykB-3smaA:
19.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3uw4 BACULOVIRAL IAP
REPEAT-CONTAINING
PROTEIN 2,
BACULOVIRAL IAP
REPEAT-CONTAINING
PROTEIN 4

(Homo sapiens) 		PF00653
(BIR) 		5 ALA A 278
PHE A 281
LEU A 299
GLY A 327
LYS A 326
 None
 1.00A 4kykA-3uw4A:
undetectable
4kykB-3uw4A:
undetectable		 4kykA-3uw4A:
18.38
4kykB-3uw4A:
18.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3uw5 BACULOVIRAL IAP
REPEAT-CONTAINING
PROTEIN 7,
BACULOVIRAL IAP
REPEAT-CONTAINING
PROTEIN 4

(Homo sapiens) 		PF00653
(BIR) 		5 ALA A 110
PHE A 113
LEU A 131
GLY A 159
LYS A 158
 None
 1.09A 4kykA-3uw5A:
undetectable
4kykB-3uw5A:
undetectable		 4kykA-3uw5A:
18.38
4kykB-3uw5A:
18.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vot L-AMINO ACID LIGASE,
BL00235

(Bacillus
licheniformis) 		PF13535
(ATP-grasp_4) 		5 PHE A  89
LEU A  54
GLY A 101
LEU A  97
PHE A  76
 None
 1.11A 4kykA-3votA:
undetectable
4kykB-3votA:
undetectable		 4kykA-3votA:
17.10
4kykB-3votA:
17.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vxc PUTATIVE
SUGAR-BINDING
LIPOPROTEIN

(Streptomyces
thermoviolaceus) 		PF01547
(SBP_bac_1) 		5 PHE A 196
ALA A 197
PHE A 255
LEU A 249
GLY A 284
 None
 1.11A 4kykA-3vxcA:
undetectable
4kykB-3vxcA:
undetectable		 4kykA-3vxcA:
18.43
4kykB-3vxcA:
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.
3w3e COTYLEDONEOUS
YIELDIN-LIKE PROTEIN

(Vigna
unguiculata) 		PF00182
(Glyco_hydro_19) 		5 PHE A  61
ALA A  59
PHE A  45
LEU A 154
GLY A   8
 None
 1.28A 4kykA-3w3eA:
undetectable
4kykB-3w3eA:
undetectable		 4kykA-3w3eA:
24.89
4kykB-3w3eA:
24.89
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.
4b6j PHOSPHOSERINE
PHOSPHATASE

(Thermococcus
onnurineus) 		PF12710
(HAD) 		5 PHE A 188
LEU A 177
LYS A   3
GLY A  88
LYS A  87
 None
 0.92A 4kykA-4b6jA:
undetectable
4kykB-4b6jA:
undetectable		 4kykA-4b6jA:
22.90
4kykB-4b6jA:
22.90
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.
4bl3 PENICILLIN BINDING
PROTEIN 2 PRIME

(Staphylococcus
aureus) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer)
PF05223
(MecA_N) 		5 ALA A 458
LEU A 414
GLY A 596
LYS A 597
LEU A 538
 None
 1.23A 4kykA-4bl3A:
undetectable
4kykB-4bl3A:
undetectable		 4kykA-4bl3A:
15.73
4kykB-4bl3A:
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.
4bru ATP-DEPENDENT RNA
HELICASE DHH1

(Saccharomyces
cerevisiae) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		5 PHE A 192
ALA A 117
LEU A 213
PHE A 236
GLY A  83
 None
 1.25A 4kykA-4bruA:
undetectable
4kykB-4bruA:
undetectable		 4kykA-4bruA:
18.48
4kykB-4bruA:
18.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bvu PROTEIN KINASE OSPG

(Shigella
flexneri) 		no annotation 5 PHE A  79
PHE A 158
LEU A 129
GLY A 103
LEU A 153
 None
 1.06A 4kykA-4bvuA:
undetectable
4kykB-4bvuA:
undetectable		 4kykA-4bvuA:
18.69
4kykB-4bvuA:
18.69
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.
4cf3 L-HALOACID
DEHALOGENASE

(Rhodobacteraceae) 		PF00702
(Hydrolase) 		5 PHE A 144
ALA A 146
LEU A  23
GLY A  13
LEU A 113
 None
None
ASB  A  18 ( 3.8A)
None
None
 1.22A 4kykA-4cf3A:
undetectable
4kykB-4cf3A:
undetectable		 4kykA-4cf3A:
23.29
4kykB-4cf3A:
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.
4crm TRANSLATION
INITIATION FACTOR
RLI1

(Saccharomyces
cerevisiae) 		PF00005
(ABC_tran)
PF00037
(Fer4)
PF04068
(RLI) 		5 ALA P  81
LEU P  94
GLY P 149
LEU P 152
PHE P 156
 None
 1.20A 4kykA-4crmP:
undetectable
4kykB-4crmP:
undetectable		 4kykA-4crmP:
14.57
4kykB-4crmP:
14.57
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.
4d72 GLYCOSIDE HYDROLASE

(Streptococcus
pneumoniae) 		PF08306
(Glyco_hydro_98M)
PF08307
(Glyco_hydro_98C) 		5 ALA A 845
PHE A 880
LEU A 899
PHE A 999
MET A 876
 None
 1.05A 4kykA-4d72A:
undetectable
4kykB-4d72A:
undetectable		 4kykA-4d72A:
17.98
4kykB-4d72A:
17.98
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.
4kqk NICOTINATE-NUCLEOTID
E--DIMETHYLBENZIMIDA
ZOLE
PHOSPHORIBOSYLTRANSF
ERASE

(Salmonella
enterica) 		PF02277
(DBI_PRT) 		5 ALA A 183
MET A 186
LEU A 303
GLY A 245
MET A 246
 None
 1.27A 4kykA-4kqkA:
undetectable
4kykB-4kqkA:
undetectable		 4kykA-4kqkA:
16.71
4kykB-4kqkA:
16.71
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.
4l0o CYSTATHIONINE
GAMMA-SYNTHASE

(Helicobacter
pylori) 		no annotation 5 MET H 296
LEU H 263
PHE H 376
GLY H 320
LEU H 314
 None
 1.15A 4kykA-4l0oH:
undetectable
4kykB-4l0oH:
undetectable		 4kykA-4l0oH:
19.33
4kykB-4l0oH:
19.33
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.
4l11 AGAP007709-PA

(Anopheles
gambiae) 		PF00027
(cNMP_binding) 		5 PHE A 648
ALA A 650
LEU A 646
PHE A 719
LEU A 621
 None
 1.28A 4kykA-4l11A:
undetectable
4kykB-4l11A:
undetectable		 4kykA-4l11A:
21.00
4kykB-4l11A:
21.00
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.
4oso REDUCTASE HOMOLOG

(Streptomyces
cyanogenus) 		PF13561
(adh_short_C2) 		5 ALA A 232
PHE A  75
LYS A   7
LEU A  82
PHE A  59
 None
 1.24A 4kykA-4osoA:
undetectable
4kykB-4osoA:
undetectable		 4kykA-4osoA:
20.97
4kykB-4osoA:
20.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ou2 2-AMINOMUCONATE
6-SEMIALDEHYDE
DEHYDROGENASE

(Pseudomonas
fluorescens) 		PF00171
(Aldedh) 		5 ALA A  93
PHE A  98
LEU A 172
GLY A 212
PHE A 218
 None
 1.25A 4kykA-4ou2A:
undetectable
4kykB-4ou2A:
undetectable		 4kykA-4ou2A:
15.46
4kykB-4ou2A:
15.46
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.
4pq0 FACT COMPLEX SUBUNIT
POB3

(Saccharomyces
cerevisiae) 		PF08512
(Rtt106) 		5 PHE A 450
ALA A 451
PHE A 388
LEU A 410
LEU A 441
 None
 1.25A 4kykA-4pq0A:
undetectable
4kykB-4pq0A:
undetectable		 4kykA-4pq0A:
20.82
4kykB-4pq0A:
20.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4pv5 LACTOYLGLUTATHIONE
LYASE

(Mus musculus) 		PF00903
(Glyoxalase) 		5 LYS A 151
GLY A 156
LYS A 157
LEU A 161
PHE A 163
 CBW  A 202 (-4.4A)
CBW  A 202 (-3.5A)
None
None
CBW  A 202 ( 4.6A)
 0.42A 4kykA-4pv5A:
25.8
4kykB-4pv5A:
25.4		 4kykA-4pv5A:
100.00
4kykB-4pv5A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4pv5 LACTOYLGLUTATHIONE
LYASE

(Mus musculus) 		PF00903
(Glyoxalase) 		5 LYS A 151
GLY A 156
LYS A 157
MET A 158
LEU A 161
 CBW  A 202 (-4.4A)
CBW  A 202 (-3.5A)
None
None
None
 0.81A 4kykA-4pv5A:
25.8
4kykB-4pv5A:
25.4		 4kykA-4pv5A:
100.00
4kykB-4pv5A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4pv5 LACTOYLGLUTATHIONE
LYASE

(Mus musculus) 		PF00903
(Glyoxalase) 		5 PHE A  63
ALA A  65
PHE A  68
LEU A  70
PHE A  93
 None
 0.23A 4kykA-4pv5A:
25.8
4kykB-4pv5A:
25.4		 4kykA-4pv5A:
100.00
4kykB-4pv5A:
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.
4q2b ENDO-1,4-BETA-D-GLUC
ANASE

(Pseudomonas
putida) 		PF01270
(Glyco_hydro_8) 		5 ALA A  27
PHE A  63
PHE A 354
GLY A 299
LEU A 249
 None
 1.19A 4kykA-4q2bA:
undetectable
4kykB-4q2bA:
undetectable		 4kykA-4q2bA:
19.55
4kykB-4q2bA:
19.55
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.
4q5h PROTEIN KINASE OSPG

(Shigella sonnei) 		no annotation 5 PHE A  79
PHE A 158
LEU A 129
GLY A 103
LEU A 153
 None
 1.02A 4kykA-4q5hA:
undetectable
4kykB-4q5hA:
undetectable		 4kykA-4q5hA:
24.63
4kykB-4q5hA:
24.63
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.
4qpb LYSOSTAPHIN

(Staphylococcus
simulans) 		PF01551
(Peptidase_M23) 		5 ALA A 375
MET A 366
LEU A 382
GLY A 310
LEU A 361
 None
 1.23A 4kykA-4qpbA:
undetectable
4kykB-4qpbA:
undetectable		 4kykA-4qpbA:
18.23
4kykB-4qpbA:
18.23
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.
4tpn PUTATIVE P450-LIKE
PROTEIN

(Streptomyces
scabiei) 		PF00067
(p450) 		5 PHE A 262
ALA A 263
PHE A 337
LEU A 339
GLY A 253
 None
 1.14A 4kykA-4tpnA:
undetectable
4kykB-4tpnA:
undetectable		 4kykA-4tpnA:
18.89
4kykB-4tpnA:
18.89
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.
4url DNA TOPOISOMERASE
IV, B SUBUNIT

(Staphylococcus
aureus) 		PF00204
(DNA_gyraseB)
PF02518
(HATPase_c) 		5 PHE A 247
GLY A 371
LYS A 370
LEU A 377
PHE A 297
 None
 1.28A 4kykA-4urlA:
undetectable
4kykB-4urlA:
undetectable		 4kykA-4urlA:
17.16
4kykB-4urlA:
17.16
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.
4whb PHENYLUREA HYDROLASE
B

(Mycolicibacterium
brisbanense) 		no annotation 5 ALA E 317
PHE E 224
LEU E 278
GLY E  77
MET E  75
 None
 1.19A 4kykA-4whbE:
undetectable
4kykB-4whbE:
undetectable		 4kykA-4whbE:
16.20
4kykB-4whbE:
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.
4wj3 ASPARTYL/GLUTAMYL-TR
NA(ASN/GLN)
AMIDOTRANSFERASE
SUBUNIT B

(Pseudomonas
aeruginosa) 		PF02637
(GatB_Yqey)
PF02934
(GatB_N) 		5 PHE B  62
ALA B  59
MET B  58
LEU B 176
LEU B 192
 None
 1.27A 4kykA-4wj3B:
undetectable
4kykB-4wj3B:
undetectable		 4kykA-4wj3B:
20.98
4kykB-4wj3B:
20.98
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.
4wjl INACTIVE DIPEPTIDYL
PEPTIDASE 10

(Homo sapiens) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		5 ALA A 657
PHE A 668
LEU A 645
GLY A 601
LEU A 547
 None
 1.11A 4kykA-4wjlA:
2.9
4kykB-4wjlA:
2.9		 4kykA-4wjlA:
13.80
4kykB-4wjlA:
13.80
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.
4xvx ACYL-[ACYL-CARRIER-P
ROTEIN]
DEHYDROGENASE MBTN

(Mycobacterium
tuberculosis) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 ALA A  77
LEU A  39
PHE A  49
GLY A 243
LEU A  67
 P33  A 401 ( 3.7A)
None
None
None
None
 1.17A 4kykA-4xvxA:
undetectable
4kykB-4xvxA:
undetectable		 4kykA-4xvxA:
16.92
4kykB-4xvxA:
16.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4y1y GALECTIN-1

(Homo sapiens) 		PF00337
(Gal-bind_lectin) 		5 PHE A  30
ALA A 122
PHE A  77
LEU A 100
PHE A 106
 None
None
None
None
CSO  A  60 ( 3.8A)
 1.28A 4kykA-4y1yA:
undetectable
4kykB-4y1yA:
undetectable		 4kykA-4y1yA:
22.55
4kykB-4y1yA:
22.55
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.
4y9s EPOXIDE HYDROLASE

(Solanum
tuberosum) 		PF00561
(Abhydrolase_1) 		5 PHE A 158
PHE A 301
GLY A 172
LEU A 177
PHE A 223
 None
 1.05A 4kykA-4y9sA:
undetectable
4kykB-4y9sA:
undetectable		 4kykA-4y9sA:
20.38
4kykB-4y9sA:
20.38
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.
4z6g MICROTUBULE-ACTIN
CROSS-LINKING FACTOR
1, ISOFORMS 1/2/3/5

(Homo sapiens) 		PF00307
(CH) 		5 PHE A 186
LEU A 167
GLY A 193
MET A 195
LEU A 199
 None
 1.28A 4kykA-4z6gA:
undetectable
4kykB-4z6gA:
undetectable		 4kykA-4z6gA:
18.84
4kykB-4z6gA:
18.84
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.
5bq3 RHAMNOSE ABC
TRANSPORTER,
RHAMNOSE-BINDING
PROTEIN

(Actinomyces
odontolyticus) 		PF13407
(Peripla_BP_4) 		5 PHE A 352
ALA A 292
PHE A  61
PHE A 286
GLY A 337
 None
 1.21A 4kykA-5bq3A:
undetectable
4kykB-5bq3A:
undetectable		 4kykA-5bq3A:
18.84
4kykB-5bq3A:
18.84
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.
5ci5 EXTRACELLULAR
SOLUTE-BINDING
PROTEIN FAMILY 1

(Pseudothermotoga
lettingae) 		PF13416
(SBP_bac_8) 		5 PHE A 196
ALA A 200
PHE A 225
LEU A 229
LEU A 138
 None
 1.25A 4kykA-5ci5A:
undetectable
4kykB-5ci5A:
undetectable		 4kykA-5ci5A:
19.76
4kykB-5ci5A:
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.
5d5u HEAT SHOCK FACTOR
PROTEIN 1

(Homo sapiens) 		PF00447
(HSF_DNA-bind) 		5 PHE B  18
ALA B  17
LEU B  73
LEU B  57
PHE B  52
 None
 1.26A 4kykA-5d5uB:
undetectable
4kykB-5d5uB:
undetectable		 4kykA-5d5uB:
18.62
4kykB-5d5uB:
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.
5fl3 PILI RETRACTION
PROTEIN PILT

(Thermus
thermophilus) 		PF00437
(T2SSE) 		5 ALA A 227
LEU A 266
GLY A 213
MET A 215
LEU A 238
 None
 1.13A 4kykA-5fl3A:
undetectable
4kykB-5fl3A:
undetectable		 4kykA-5fl3A:
19.02
4kykB-5fl3A:
19.02
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.
5fw4 DYE-DECOLORIZING
PEROXIDASE TFU_3078

(Thermobifida
fusca) 		PF04261
(Dyp_perox) 		5 PHE A 145
ALA A  47
MET A 146
LEU A  69
LEU A 112
 None
 1.10A 4kykA-5fw4A:
undetectable
4kykB-5fw4A:
undetectable		 4kykA-5fw4A:
17.36
4kykB-5fw4A:
17.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5g5z ABC TRANSPORTER,
SUBSTRATE-BINDING
PROTEIN

(Streptococcus
pneumoniae) 		PF01547
(SBP_bac_1) 		5 PHE A 277
LEU A 241
GLY A 285
LYS A 284
LEU A 208
 None
 1.19A 4kykA-5g5zA:
undetectable
4kykB-5g5zA:
undetectable		 4kykA-5g5zA:
16.43
4kykB-5g5zA:
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.
5gsz KINESIN-LIKE PROTEIN
KIF19

(Mus musculus) 		PF00225
(Kinesin) 		5 ALA A 227
PHE A 247
LEU A 307
GLY A 183
LEU A 171
 None
 1.04A 4kykA-5gszA:
1.1
4kykB-5gszA:
1.2		 4kykA-5gszA:
19.78
4kykB-5gszA:
19.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gzh ENDO-BETA-1,2-GLUCAN
ASE

(Chitinophaga
pinensis) 		PF10091
(Glycoamylase) 		5 ALA A 116
PHE A 180
GLY A  76
LEU A 151
PHE A 420
 None
 1.26A 4kykA-5gzhA:
undetectable
4kykB-5gzhA:
undetectable		 4kykA-5gzhA:
15.96
4kykB-5gzhA:
15.96
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.
5hci GPN-LOOP GTPASE 1

(Saccharomyces
cerevisiae) 		PF03029
(ATP_bind_1) 		5 PHE A 193
ALA A 195
PHE A 190
LEU A 225
GLY A 212
 None
 1.26A 4kykA-5hciA:
undetectable
4kykB-5hciA:
undetectable		 4kykA-5hciA:
17.49
4kykB-5hciA:
17.49
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.
5hdg HEAT SHOCK FACTOR
PROTEIN 1

(Homo sapiens) 		PF00447
(HSF_DNA-bind) 		5 PHE A  18
ALA A  17
LEU A  73
LEU A  57
PHE A  52
 None
 1.25A 4kykA-5hdgA:
undetectable
4kykB-5hdgA:
undetectable		 4kykA-5hdgA:
19.02
4kykB-5hdgA:
19.02
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.
5l0l UNCHARACTERIZED
PROTEIN

(Legionella
pneumophila) 		no annotation 5 PHE A 279
ALA A 277
MET A 278
GLY A 237
LEU A 240
 None
 1.19A 4kykA-5l0lA:
undetectable
4kykB-5l0lA:
undetectable		 4kykA-5l0lA:
21.52
4kykB-5l0lA:
21.52
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.
5lqd ALPHA,ALPHA-TREHALOS
E-PHOSPHATE SYNTHASE

(Streptomyces
venezuelae) 		PF00982
(Glyco_transf_20) 		5 ALA A 211
PHE A 175
LEU A 178
GLY A 192
LEU A 147
 None
 1.26A 4kykA-5lqdA:
undetectable
4kykB-5lqdA:
undetectable		 4kykA-5lqdA:
15.48
4kykB-5lqdA:
15.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5w6l RTX
REPEAT-CONTAINING
CYTOTOXIN

(Vibrio
vulnificus) 		no annotation 5 ALA A4009
LEU A3932
PHE A3968
GLY A3899
LEU A3909
 ALA  A4009 ( 0.0A)
LEU  A3932 ( 0.6A)
PHE  A3968 ( 1.3A)
GLY  A3899 ( 0.0A)
LEU  A3909 ( 0.6A)
 1.12A 4kykA-5w6lA:
undetectable
4kykB-5w6lA:
undetectable		 4kykA-5w6lA:
19.13
4kykB-5w6lA:
19.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5yvf -

(-) 		no annotation 5 PHE A 160
PHE A  65
LEU A 162
PHE A 219
GLY A  71
 None
 1.18A 4kykA-5yvfA:
undetectable
4kykB-5yvfA:
undetectable		 4kykA-5yvfA:
undetectable
4kykB-5yvfA:
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.
6ams BETA SLIDING CLAMP

(Pseudomonas
aeruginosa) 		no annotation 5 ALA A 205
LEU A 167
GLY A 157
MET A 158
LEU A 159
 None
 1.23A 4kykA-6amsA:
undetectable
4kykB-6amsA:
undetectable		 4kykA-6amsA:
20.99
4kykB-6amsA:
20.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6b5v TRANSIENT RECEPTOR
POTENTIAL CATION
CHANNEL SUBFAMILY V
MEMBER 5

(Oryctolagus
cuniculus) 		no annotation 5 PHE A 468
ALA A 469
PHE A 329
LEU A 332
GLY A 422
 None
 1.15A 4kykA-6b5vA:
undetectable
4kykB-6b5vA:
undetectable		 4kykA-6b5vA:
19.21
4kykB-6b5vA:
19.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6bld CYTOCHROME P450
268A2 CYP268A2

(Mycobacterium
marinum) 		no annotation 5 ALA A 378
PHE A 121
LEU A 231
LEU A 256
PHE A 102
 HEM  A 501 (-3.4A)
HEM  A 501 (-4.8A)
None
HEM  A 501 ( 4.8A)
HEM  A 501 (-4.6A)
 1.21A 4kykA-6bldA:
undetectable
4kykB-6bldA:
undetectable		 4kykA-6bldA:
20.53
4kykB-6bldA:
20.53
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.
6ekt P-47 PROTEIN

(Clostridium
botulinum) 		no annotation 5 PHE A 344
PHE A 355
LEU A 399
PHE A 403
GLY A  21
 None
 1.13A 4kykA-6ektA:
undetectable
4kykB-6ektA:
undetectable		 4kykA-6ektA:
18.54
4kykB-6ektA:
18.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6eoq DIPEPTIDYL PEPTIDASE
9

(Homo sapiens) 		no annotation 5 ALA A 320
PHE A 386
LEU A 338
GLY A 255
PHE A 368
 None
 1.25A 4kykA-6eoqA:
undetectable
4kykB-6eoqA:
1.2		 4kykA-6eoqA:
19.88
4kykB-6eoqA:
19.88
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.
6f0k ACTD
ACTF

(Rhodothermus
marinus) 		no annotation 5 PHE D  78
GLY F 272
LYS F 273
LEU F 333
PHE F 329
 None
 1.08A 4kykA-6f0kD:
undetectable
4kykB-6f0kD:
undetectable		 4kykA-6f0kD:
18.48
4kykB-6f0kD:
18.48