SIMILAR PATTERNS OF AMINO ACIDS FOR 5KOC_B_SAMB401

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.
1a27 17-BETA-HYDROXYSTERO
ID-DEHYDROGENASE

(Homo sapiens) 		PF00106
(adh_short) 		5 GLY A  15
GLY A  13
VAL A  88
VAL A  20
LEU A  18
 None
NAP  A 360 (-3.3A)
None
None
None
 1.10A 5kocB-1a27A:
5.3		 5kocB-1a27A:
22.17
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.
1dcu FRUCTOSE-1,6-BISPHOS
PHATASE

(Pisum sativum) 		PF00316
(FBPase) 		5 PHE A 311
SER A 310
GLY A 181
VAL A 175
LEU A 303
 None
 1.20A 5kocB-1dcuA:
undetectable		 5kocB-1dcuA:
20.29
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.
1ei6 PHOSPHONOACETATE
HYDROLASE

(Pseudomonas
fluorescens) 		PF01663
(Phosphodiest) 		5 GLY A 343
GLY A 315
THR A 347
VAL A 319
LEU A 342
 None
 1.19A 5kocB-1ei6A:
undetectable		 5kocB-1ei6A:
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.
1fy1 HEPARIN-BINDING
PROTEIN

(Homo sapiens) 		PF00089
(Trypsin) 		5 GLY A 187
THR A 204
VAL A 159
VAL A 180
LEU A 179
 None
 1.19A 5kocB-1fy1A:
undetectable		 5kocB-1fy1A:
17.25
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.
1h4o PEROXIREDOXIN 5

(Homo sapiens) 		PF08534
(Redoxin) 		5 PHE A 128
GLY A 148
GLY A 146
LEU A 149
HIS A  51
 None
 1.17A 5kocB-1h4oA:
undetectable		 5kocB-1h4oA:
18.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1icp 12-OXOPHYTODIENOATE
REDUCTASE 1

(Solanum
lycopersicum) 		PF00724
(Oxidored_FMN) 		5 PHE A  25
GLY A 104
GLY A  61
THR A  59
HIS A 101
 None
 1.07A 5kocB-1icpA:
undetectable		 5kocB-1icpA:
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.
1j17 TRYPSIN II, ANIONIC

(Rattus
norvegicus) 		PF00089
(Trypsin) 		5 GLY T 211
SER T  45
THR T 229
VAL T 181
VAL T 200
 None
 1.15A 5kocB-1j17T:
undetectable		 5kocB-1j17T:
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.
1j17 TRYPSIN II, ANIONIC

(Rattus
norvegicus) 		PF00089
(Trypsin) 		5 SER T 139
GLY T 211
SER T  45
THR T 229
VAL T 181
 None
 1.13A 5kocB-1j17T:
undetectable		 5kocB-1j17T:
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.
1kph CYCLOPROPANE-FATTY-A
CYL-PHOSPHOLIPID
SYNTHASE 1

(Mycobacterium
tuberculosis) 		PF02353
(CMAS) 		6 SER A  34
GLY A  72
GLY A  74
THR A  94
GLN A  99
HIS A 141
 SAH  A1900 ( 3.6A)
SAH  A1900 (-3.1A)
SAH  A1900 (-3.2A)
SAH  A1900 (-4.0A)
SAH  A1900 (-2.9A)
SAH  A1900 (-4.4A)
 0.72A 5kocB-1kphA:
27.6		 5kocB-1kphA:
21.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kpi CYCLOPROPANE-FATTY-A
CYL-PHOSPHOLIPID
SYNTHASE 2

(Mycobacterium
tuberculosis) 		PF02353
(CMAS) 		6 SER A  42
GLY A  80
GLY A  82
SER A  85
THR A 102
GLN A 107
 SAH  A 900 ( 2.8A)
SAH  A 900 (-3.3A)
SAH  A 900 (-3.1A)
SAH  A 900 ( 4.4A)
SAH  A 900 (-4.0A)
SAH  A 900 (-2.9A)
 0.65A 5kocB-1kpiA:
28.0		 5kocB-1kpiA:
22.57
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.
1kpi CYCLOPROPANE-FATTY-A
CYL-PHOSPHOLIPID
SYNTHASE 2

(Mycobacterium
tuberculosis) 		PF02353
(CMAS) 		6 SER A  42
GLY A  80
GLY A  82
THR A 102
GLN A 107
HIS A 149
 SAH  A 900 ( 2.8A)
SAH  A 900 (-3.3A)
SAH  A 900 (-3.1A)
SAH  A 900 (-4.0A)
SAH  A 900 (-2.9A)
SAH  A 900 (-4.3A)
 0.75A 5kocB-1kpiA:
28.0		 5kocB-1kpiA:
22.57
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.
1l1e MYCOLIC ACID
SYNTHASE

(Mycobacterium
tuberculosis) 		PF02353
(CMAS) 		6 SER A  34
GLY A  72
GLY A  74
THR A  94
GLN A  99
HIS A 141
 SAH  A 900 ( 2.7A)
SAH  A 900 (-3.1A)
SAH  A 900 (-3.4A)
SAH  A 900 (-4.4A)
SAH  A 900 (-3.1A)
SAH  A 900 ( 4.8A)
 0.52A 5kocB-1l1eA:
28.2		 5kocB-1l1eA:
22.44
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.
1moz ADP-RIBOSYLATION
FACTOR-LIKE PROTEIN
1

(Saccharomyces
cerevisiae) 		PF00025
(Arf) 		5 SER A  95
GLY A  30
SER A 159
THR A  33
VAL A  93
 None
GDP  A 184 (-2.8A)
None
GDP  A 184 (-3.9A)
None
 1.15A 5kocB-1mozA:
undetectable		 5kocB-1mozA:
18.02
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.
1pfx FACTOR IXA

(Sus scrofa) 		PF00089
(Trypsin) 		5 SER C 139
GLY C 211
SER C  45
THR C 229
VAL C 200
 None
 0.88A 5kocB-1pfxC:
undetectable		 5kocB-1pfxC:
17.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1r9j TRANSKETOLASE

(Leishmania
mexicana) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		5 GLY A 418
VAL A 111
VAL A 124
LEU A 126
HIS A 422
 None
 1.18A 5kocB-1r9jA:
undetectable		 5kocB-1r9jA:
19.97
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.
1sqi 4-HYDROXYPHENYLPYRUV
IC ACID DIOXYGENASE

(Rattus
norvegicus) 		PF00903
(Glyoxalase) 		5 GLY A 360
GLY A 362
SER A 366
VAL A 324
LEU A 332
 869  A1501 ( 4.4A)
None
None
None
None
 1.12A 5kocB-1sqiA:
undetectable		 5kocB-1sqiA:
21.94
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.
1tpy METHOXY MYCOLIC ACID
SYNTHASE 2

(Mycobacterium
tuberculosis) 		PF02353
(CMAS) 		5 GLY A  72
GLY A  74
THR A  94
GLN A  99
VAL A 134
 SAH  A1900 (-3.2A)
SAH  A1900 (-3.3A)
SAH  A1900 (-4.1A)
SAH  A1900 (-3.0A)
None
 0.96A 5kocB-1tpyA:
27.7		 5kocB-1tpyA:
22.72
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.
1tpy METHOXY MYCOLIC ACID
SYNTHASE 2

(Mycobacterium
tuberculosis) 		PF02353
(CMAS) 		6 SER A  34
GLY A  72
GLY A  74
THR A  94
GLN A  99
HIS A 141
 SAH  A1900 ( 2.7A)
SAH  A1900 (-3.2A)
SAH  A1900 (-3.3A)
SAH  A1900 (-4.1A)
SAH  A1900 (-3.0A)
16A  A1901 ( 4.2A)
 0.69A 5kocB-1tpyA:
27.7		 5kocB-1tpyA:
22.72
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.
1ufv PANTOATE-BETA-ALANIN
E LIGASE

(Thermus
thermophilus) 		PF02569
(Pantoate_ligase) 		5 SER A  49
GLN A 149
VAL A 169
LEU A  35
HIS A  32
 None
GOL  A1400 (-3.1A)
None
None
GOL  A1300 (-4.6A)
 1.17A 5kocB-1ufvA:
undetectable		 5kocB-1ufvA:
20.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1uy4 ENDO-1,4-BETA-XYLANA
SE A

([Clostridium]
stercorarium) 		PF03422
(CBM_6) 		5 SER A 142
THR A 112
ASN A 111
VAL A  76
LEU A  99
 None
 1.18A 5kocB-1uy4A:
undetectable		 5kocB-1uy4A:
16.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1y25 PROBABLE THIOL
PEROXIDASE

(Mycobacterium
tuberculosis) 		PF08534
(Redoxin) 		5 PHE A  27
GLY A 116
GLY A 112
THR A 118
LEU A  17
 None
 1.17A 5kocB-1y25A:
undetectable		 5kocB-1y25A:
17.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1y3t HYPOTHETICAL PROTEIN
YXAG

(Bacillus
subtilis) 		PF07883
(Cupin_2) 		5 GLY A 288
SER A 223
THR A 242
VAL A 269
HIS A 239
 None
 1.09A 5kocB-1y3tA:
undetectable		 5kocB-1y3tA:
20.70
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.
1yt8 THIOSULFATE
SULFURTRANSFERASE

(Pseudomonas
aeruginosa) 		PF00581
(Rhodanese) 		5 GLY A 202
SER A 340
VAL A 191
VAL A 175
LEU A 174
 None
 1.19A 5kocB-1yt8A:
undetectable		 5kocB-1yt8A:
19.39
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.
2a5l TRP REPRESSOR
BINDING PROTEIN WRBA

(Pseudomonas
aeruginosa) 		PF03358
(FMN_red) 		5 PHE A 112
GLY A 161
THR A 158
GLN A 126
LEU A 181
 None
 1.09A 5kocB-2a5lA:
undetectable		 5kocB-2a5lA:
19.95
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.
2bwm PSATHYRELLA VELUTINA
LECTIN PVL

(Lacrymaria
velutina) 		PF13517
(VCBS) 		5 PHE A 326
GLY A 301
GLY A 327
GLN A 330
VAL A 283
 None
SNG  A1407 (-3.4A)
None
None
None
 1.01A 5kocB-2bwmA:
undetectable		 5kocB-2bwmA:
21.51
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.
2cfv HUMAN PROTEIN
TYROSINE PHOSPHATASE
RECEPTOR TYPE J

(Homo sapiens) 		PF00102
(Y_phosphatase) 		5 GLY A1247
GLY A1244
THR A1248
GLN A1287
LEU A1274
 None
 1.09A 5kocB-2cfvA:
undetectable		 5kocB-2cfvA:
23.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2dkd PHOSPHOACETYLGLUCOSA
MINE MUTASE

(Candida
albicans) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I) 		5 GLY A 392
GLY A 433
SER A 437
VAL A 394
HIS A 374
 None
 1.10A 5kocB-2dkdA:
undetectable		 5kocB-2dkdA:
22.38
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.
2eh6 ACETYLORNITHINE
AMINOTRANSFERASE

(Aquifex
aeolicus) 		PF00202
(Aminotran_3) 		5 GLY A 219
GLY A 217
THR A 221
VAL A 295
VAL A 285
 None
 0.95A 5kocB-2eh6A:
undetectable		 5kocB-2eh6A:
22.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2eq9 PYRUVATE
DEHYDROGENASE
COMPLEX,
DIHYDROLIPOAMIDE
DEHYDROGENASE E3
COMPONENT

(Thermus
thermophilus) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 GLY A  18
GLY A  20
VAL A 103
VAL A  46
LEU A  48
 FAD  A8482 (-3.6A)
FAD  A8482 (-3.5A)
None
FAD  A8482 ( 3.9A)
None
 1.18A 5kocB-2eq9A:
undetectable		 5kocB-2eq9A:
21.92
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.
2fk7 METHOXY MYCOLIC ACID
SYNTHASE 4

(Mycobacterium
tuberculosis) 		PF02353
(CMAS) 		5 GLY A  81
GLY A  83
THR A 103
GLN A 108
VAL A 143
 None
 1.04A 5kocB-2fk7A:
24.5		 5kocB-2fk7A:
23.47
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.
2fk7 METHOXY MYCOLIC ACID
SYNTHASE 4

(Mycobacterium
tuberculosis) 		PF02353
(CMAS) 		5 SER A  43
GLY A  81
GLY A  83
THR A 103
GLN A 108
 None
 0.55A 5kocB-2fk7A:
24.5		 5kocB-2fk7A:
23.47
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.
2fxv XANTHINE
PHOSPHORIBOSYLTRANSF
ERASE

(Bacillus
subtilis) 		PF00156
(Pribosyltran) 		5 GLY A 130
GLN A 131
VAL A 137
VAL A 166
LEU A 168
 5GP  A 200 (-3.4A)
None
None
None
None
 1.10A 5kocB-2fxvA:
undetectable		 5kocB-2fxvA:
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.
2kfu RV1827 PTHR 22

(Mycobacterium
tuberculosis) 		PF00498
(FHA) 		5 PHE A  88
GLY A  80
VAL A 110
VAL A  60
LEU A  58
 None
 1.10A 5kocB-2kfuA:
undetectable		 5kocB-2kfuA:
18.64
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.
2l6f FOCAL ADHESION
KINASE 1, LINKER1,
PAXILLIN, LINKER2,
PAXILLIN

(Gallus gallus;
unidentified) 		PF03535
(Paxillin)
PF03623
(Focal_AT) 		5 SER A  68
ASN A  11
VAL A  14
VAL A 127
LEU A 125
 None
 0.84A 5kocB-2l6fA:
undetectable		 5kocB-2l6fA:
21.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2l6h FOCAL ADHESION
KINASE 1, LINKER,
PAXILLIN

(Gallus gallus;
unidentified) 		PF03623
(Focal_AT) 		5 SER A  68
ASN A  11
VAL A  14
VAL A 127
LEU A 125
 None
 1.05A 5kocB-2l6hA:
undetectable		 5kocB-2l6hA:
20.96
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.
2nmb PROTEIN (NUMB
PROTEIN)

(Drosophila
melanogaster) 		PF00640
(PID) 		5 SER A 112
GLY A 176
GLY A  89
VAL A 108
LEU A 106
 None
 0.99A 5kocB-2nmbA:
undetectable		 5kocB-2nmbA:
17.11
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.
2ohh TYPE A FLAVOPROTEIN
FPRA

(Methanothermobacter
thermautotrophicus) 		PF00258
(Flavodoxin_1)
PF00753
(Lactamase_B) 		5 GLY A 314
GLY A 350
VAL A 326
VAL A 261
LEU A 313
 None
 1.20A 5kocB-2ohhA:
undetectable		 5kocB-2ohhA:
23.28
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.
2ppy ENOYL-COA HYDRATASE

(Geobacillus
kaustophilus) 		PF00378
(ECH_1) 		5 GLY A 150
GLY A 147
THR A 151
ASN A 167
LEU A 121
 None
 1.20A 5kocB-2ppyA:
undetectable		 5kocB-2ppyA:
18.66
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.
2q0x UNCHARACTERIZED
PROTEIN

(Trypanosoma
brucei) 		PF08538
(DUF1749) 		6 PHE A 197
GLY A 118
VAL A  75
VAL A 122
LEU A 121
HIS A  87
 None
 1.31A 5kocB-2q0xA:
undetectable		 5kocB-2q0xA:
21.10
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.
2qny 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3

(Mycobacterium
tuberculosis) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		5 PHE A 171
GLY A   4
GLY A 173
GLN A 172
LEU A   6
 None
 1.15A 5kocB-2qnyA:
undetectable		 5kocB-2qnyA:
21.84
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.
2vsa MOSQUITOCIDAL TOXIN

(Lysinibacillus
sphaericus) 		PF05588
(Botulinum_HA-17)
PF14200
(RicinB_lectin_2) 		5 SER A 425
GLY A 414
THR A 416
VAL A 423
LEU A 422
 None
 1.20A 5kocB-2vsaA:
undetectable		 5kocB-2vsaA:
18.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wk8 CAI-1 AUTOINDUCER
SYNTHASE

(Vibrio cholerae) 		PF00155
(Aminotran_1_2) 		5 SER A 259
SER A 105
VAL A 171
VAL A 113
LEU A 116
 None
 0.93A 5kocB-2wk8A:
2.5		 5kocB-2wk8A:
20.76
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.
2wpm COAGULATION FACTOR
IXA HEAVY CHAIN

(Homo sapiens) 		PF00089
(Trypsin) 		5 SER S 139
GLY S 211
SER S  45
THR S 229
VAL S 200
 None
 0.98A 5kocB-2wpmS:
undetectable		 5kocB-2wpmS:
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.
2wqd PHOSPHOENOLPYRUVATE-
PROTEIN
PHOSPHOTRANSFERASE

(Staphylococcus
aureus) 		PF00391
(PEP-utilizers)
PF02896
(PEP-utilizers_C)
PF05524
(PEP-utilisers_N) 		5 SER A 494
GLY A 521
ASN A 552
VAL A 555
VAL A 490
 None
 1.02A 5kocB-2wqdA:
undetectable		 5kocB-2wqdA:
20.30
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.
2x7i MEVALONATE KINASE

(Staphylococcus
aureus) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C) 		5 GLY A 269
GLY A 271
THR A 266
LEU A 238
HIS A 235
 None
CL  A1308 ( 4.9A)
CL  A1308 (-4.2A)
None
None
 1.10A 5kocB-2x7iA:
undetectable		 5kocB-2x7iA:
23.83
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.
2zyg 6-PHOSPHOGLUCONATE
DEHYDROGENASE,
DECARBOXYLATING

(Klebsiella
pneumoniae) 		PF00393
(6PGD)
PF03446
(NAD_binding_2) 		5 PHE A  32
GLY A   7
SER A  63
VAL A  52
LEU A  51
 None
 1.11A 5kocB-2zygA:
4.1		 5kocB-2zygA:
24.07
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.
3ch7 6-PHOSPHOGLUCONOLACT
ONASE

(Leishmania
braziliensis) 		PF01182
(Glucosamine_iso) 		5 GLY A 162
SER A  44
VAL A 231
VAL A 216
LEU A 255
 None
 1.03A 5kocB-3ch7A:
undetectable		 5kocB-3ch7A:
19.65
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.
3co8 ALANINE RACEMASE

(Oenococcus oeni) 		PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N) 		5 SER A  65
GLY A 223
THR A 224
VAL A 226
LEU A  36
 None
PLP  A 401 (-3.6A)
PLP  A 401 (-3.8A)
None
None
 1.19A 5kocB-3co8A:
undetectable		 5kocB-3co8A:
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.
3h4i GLYCOSYLTRANSFERASE
GTFA,
GLYCOSYLTRANSFERASE

(Actinoplanes
teichomyceticus;
Amycolatopsis
orientalis) 		PF03033
(Glyco_transf_28)
PF04101
(Glyco_tran_28_C) 		5 SER A 230
GLY A 295
GLY A 293
THR A 297
HIS A 278
 U2F  A 547 (-2.6A)
U2F  A 547 (-3.3A)
U2F  A 547 (-3.4A)
None
U2F  A 547 (-3.5A)
 0.99A 5kocB-3h4iA:
2.0		 5kocB-3h4iA:
19.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i36 VASCULAR PROTEIN
TYROSINE PHOSPHATASE
1

(Rattus
norvegicus) 		PF00102
(Y_phosphatase) 		5 GLY A1126
GLY A1123
THR A1127
GLN A1166
LEU A1153
 None
 1.11A 5kocB-3i36A:
undetectable		 5kocB-3i36A:
19.95
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.
3inn PANTOTHENATE
SYNTHETASE

(Brucella
melitensis) 		PF02569
(Pantoate_ligase) 		5 SER A  54
GLN A 153
VAL A 173
LEU A  40
HIS A  37
 None
ATP  A 300 (-2.9A)
None
ATP  A 300 (-4.7A)
ATP  A 300 (-4.0A)
 1.20A 5kocB-3innA:
undetectable		 5kocB-3innA:
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.
3lxd FAD-DEPENDENT
PYRIDINE
NUCLEOTIDE-DISULPHID
E OXIDOREDUCTASE

(Novosphingobium
aromaticivorans) 		PF07992
(Pyr_redox_2)
PF14759
(Reductase_C) 		5 SER A  54
GLY A 161
GLY A 246
VAL A 187
LEU A 165
 FAD  A 416 (-3.2A)
None
None
None
None
 1.20A 5kocB-3lxdA:
undetectable		 5kocB-3lxdA:
20.71
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.
3mg9 TEG12

(uncultured soil
bacterium) 		PF00685
(Sulfotransfer_1) 		5 GLY A  14
SER A  98
THR A  16
VAL A  18
LEU A  88
 None
None
FMT  A 289 ( 4.7A)
None
None
 1.13A 5kocB-3mg9A:
undetectable		 5kocB-3mg9A:
20.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mnz ANTI-HIV-1 ANTIBODY
13H11 HEAVY CHAIN

(Homo sapiens;
Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		5 GLY B 106
VAL B  34
VAL B   5
LEU B   4
HIS B 102
 None
 1.20A 5kocB-3mnzB:
undetectable		 5kocB-3mnzB:
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.
3mue PANTOTHENATE
SYNTHETASE

(Salmonella
enterica) 		PF02569
(Pantoate_ligase) 		5 SER A  54
GLN A 155
VAL A 175
LEU A  40
HIS A  37
 None
GOL  A 291 (-3.4A)
None
None
None
 1.20A 5kocB-3mueA:
undetectable		 5kocB-3mueA:
22.52
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.
3odm PHOSPHOENOLPYRUVATE
CARBOXYLASE

(Clostridium
perfringens) 		PF14010
(PEPcase_2) 		5 GLY A 247
SER A 201
ASN A 253
LEU A 273
HIS A 277
 None
MLI  A 901 (-2.4A)
None
None
None
 1.05A 5kocB-3odmA:
undetectable		 5kocB-3odmA:
23.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3q75 FARNESYLTRANSFERASE
BETA SUBUNIT

(Cryptococcus
neoformans) 		PF00432
(Prenyltrans) 		5 SER B 146
GLY B 131
GLN B 136
VAL B  92
LEU B  91
 None
 1.07A 5kocB-3q75B:
undetectable		 5kocB-3q75B:
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.
3q9o EXOTOXIN A

(Vibrio cholerae) 		PF09009
(Exotox-A_cataly)
PF09101
(Exotox-A_bind)
PF09102
(Exotox-A_target) 		5 ASN A 463
GLN A 356
VAL A 527
LEU A 529
HIS A 460
 NAD  A 700 ( 4.6A)
NAD  A 700 (-3.6A)
None
None
NAD  A 700 (-3.8A)
 1.19A 5kocB-3q9oA:
undetectable		 5kocB-3q9oA:
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.
3rao PUTATIVE
LUCIFERASE-LIKE
MONOOXYGENASE

(Bacillus cereus) 		PF00296
(Bac_luciferase) 		5 GLY A 205
GLY A 292
SER A 289
VAL A 211
LEU A 235
 None
None
SO4  A 353 ( 3.2A)
None
None
 1.18A 5kocB-3raoA:
undetectable		 5kocB-3raoA:
22.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3svl PROTEIN YIEF

(Escherichia
coli) 		PF03358
(FMN_red) 		5 GLY A 149
THR A 115
GLN A 127
VAL A  23
HIS A 171
 None
 1.11A 5kocB-3svlA:
undetectable		 5kocB-3svlA:
18.52
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.
3u9s METHYLCROTONYL-COA
CARBOXYLASE,
ALPHA-SUBUNIT

(Pseudomonas
aeruginosa) 		PF00289
(Biotin_carb_N)
PF00364
(Biotin_lipoyl)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		5 GLY A 317
GLY A 319
GLN A 259
VAL A 362
HIS A 126
 None
 1.07A 5kocB-3u9sA:
2.4		 5kocB-3u9sA:
19.97
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.
3vla EDGP

(Daucus carota) 		PF14541
(TAXi_C)
PF14543
(TAXi_N) 		5 GLY A 345
GLY A 324
SER A 320
THR A 344
HIS A 377
 None
 1.14A 5kocB-3vlaA:
undetectable		 5kocB-3vlaA:
22.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wsv L-LACTATE
DEHYDROGENASE

(Enterococcus
mundtii) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 GLY A 147
GLY A 273
SER A 276
THR A 148
VAL A 144
 None
 1.12A 5kocB-3wsvA:
3.2		 5kocB-3wsvA:
22.89
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.
4eps HYPOTHETICAL PROTEIN

(Bacteroides
ovatus) 		PF13149
(Mfa_like_1) 		5 PHE A 530
GLY A 533
GLY A 452
VAL A 360
LEU A 359
 None
None
GOL  A 625 (-3.8A)
None
None
 1.01A 5kocB-4epsA:
undetectable		 5kocB-4epsA:
21.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hj3 LOV PROTEIN

(Rhodobacter
sphaeroides) 		PF13426
(PAS_9) 		5 PHE A 100
GLY A 116
THR A  21
ASN A  36
GLN A 118
 None
FMN  A 201 (-3.9A)
FMN  A 201 (-4.4A)
None
FMN  A 201 (-3.8A)
 1.15A 5kocB-4hj3A:
undetectable		 5kocB-4hj3A:
16.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ihe THNT PROTEIN

(Streptomyces
cattleya) 		PF03576
(Peptidase_S58) 		5 GLY A  34
GLY A  30
VAL A 177
VAL A 367
HIS A 374
 None
 1.01A 5kocB-4iheA:
undetectable		 5kocB-4iheA:
19.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kg7 PEPTIDASE S8 AND
S53, SUBTILISIN,
KEXIN, SEDOLISIN

(Mycolicibacterium
smegmatis) 		PF00082
(Peptidase_S8) 		5 GLY A 127
GLY A 125
THR A  96
VAL A  93
VAL A 315
 None
 1.20A 5kocB-4kg7A:
undetectable		 5kocB-4kg7A:
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.
4kg7 PEPTIDASE S8 AND
S53, SUBTILISIN,
KEXIN, SEDOLISIN

(Mycolicibacterium
smegmatis) 		PF00082
(Peptidase_S8) 		5 SER A 324
GLY A 127
GLY A 125
THR A  96
VAL A  93
 None
 1.06A 5kocB-4kg7A:
undetectable		 5kocB-4kg7A:
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.
4lsw D-2-HYDROXYACID
DEHYDROGENSASE
PROTEIN

(Ketogulonicigenium
vulgare) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		5 THR A 193
VAL A 219
VAL A 150
LEU A 151
HIS A 213
 None
 0.99A 5kocB-4lswA:
5.4		 5kocB-4lswA:
21.20
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.
4mh1 SORBOSE
DEHYDROGENASE

(Ketogulonicigenium
vulgare) 		PF13360
(PQQ_2) 		5 GLY A 134
GLY A 132
GLN A  -2
VAL A 137
LEU A 129
 None
 0.99A 5kocB-4mh1A:
undetectable		 5kocB-4mh1A:
20.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nf2 ORNITHINE
CARBAMOYLTRANSFERASE

(Bacillus
anthracis) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		5 SER A 234
GLY A 162
GLY A 164
THR A 186
VAL A 231
 NVA  A 402 ( 2.8A)
None
None
None
None
 1.13A 5kocB-4nf2A:
undetectable		 5kocB-4nf2A:
23.75
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.
4nle ADENYLOSUCCINATE
LYASE

(Mycolicibacterium
smegmatis) 		PF00206
(Lyase_1)
PF10397
(ADSL_C) 		5 PHE A 336
GLY A 340
THR A 342
VAL A 300
LEU A 301
 None
 1.15A 5kocB-4nleA:
undetectable		 5kocB-4nleA:
22.99
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.
4q9n ENOYL-[ACYL-CARRIER-
PROTEIN] REDUCTASE
[NADH]

(Chlamydia
trachomatis) 		PF13561
(adh_short_C2) 		5 SER A 228
GLY A  15
GLY A  17
THR A  41
LEU A 127
 NAI  A 301 (-2.3A)
NAI  A 301 ( 4.3A)
NAI  A 301 (-3.8A)
None
NAI  A 301 (-3.8A)
 1.18A 5kocB-4q9nA:
4.1		 5kocB-4q9nA:
21.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qjy GH127
BETA-L-ARABINOFURANO
SIDASE

(Geobacillus
stearothermophilus) 		PF07944
(Glyco_hydro_127) 		5 GLY A 302
GLY A 361
THR A 301
VAL A 335
LEU A 334
 None
 1.16A 5kocB-4qjyA:
undetectable		 5kocB-4qjyA:
21.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4r3a BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE 2

(Erythrobacter
litoralis) 		PF07568
(HisKA_2)
PF13426
(PAS_9)
PF13581
(HATPase_c_2) 		5 GLY A 116
THR A  21
ASN A  36
GLN A 118
LEU A 148
 RBF  A 402 ( 3.8A)
RBF  A 402 (-3.4A)
None
RBF  A 402 (-4.3A)
None
 1.07A 5kocB-4r3aA:
undetectable		 5kocB-4r3aA:
19.95
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.
4xjx HSDR

(Escherichia
coli) 		PF04313
(HSDR_N)
PF04851
(ResIII)
PF12008
(EcoR124_C) 		5 SER A 261
ASN A 157
VAL A 134
VAL A 256
LEU A 254
 None
 1.17A 5kocB-4xjxA:
undetectable		 5kocB-4xjxA:
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.
4xkm XYLOSE ISOMERASE

(Bacteroides
thetaiotaomicron) 		no annotation 5 GLY A 142
THR A 179
VAL A 125
VAL A 105
LEU A 107
 None
 1.19A 5kocB-4xkmA:
undetectable		 5kocB-4xkmA:
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.
5a22 VESICULAR STOMATITIS
VIRUS L POLYMERASE

(Vesicular
stomatitis
virus) 		PF00946
(Mononeg_RNA_pol)
PF14314
(Methyltrans_Mon)
PF14318
(Mononeg_mRNAcap) 		5 SER A 770
GLY A 784
GLY A 589
SER A 304
GLN A 590
 None
 1.02A 5kocB-5a22A:
8.1		 5kocB-5a22A:
10.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5e0q NUCLEAR PORE COMPLEX
PROTEIN NUP98-NUP96

(Xenopus
tropicalis) 		PF04096
(Nucleoporin2) 		5 SER B 856
GLY B 759
GLY B 757
VAL B 785
LEU B 809
 None
 1.20A 5kocB-5e0qB:
undetectable		 5kocB-5e0qB:
18.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5f8z PLASMA KALLIKREIN
LIGHT CHAIN

(Homo sapiens) 		PF00089
(Trypsin) 		5 GLY A 211
SER A  45
THR A 229
VAL A 181
VAL A 200
 None
 1.06A 5kocB-5f8zA:
undetectable		 5kocB-5f8zA:
19.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5f8z PLASMA KALLIKREIN
LIGHT CHAIN

(Homo sapiens) 		PF00089
(Trypsin) 		5 GLY A 211
THR A 229
VAL A 181
VAL A 200
LEU A 199
 None
 1.08A 5kocB-5f8zA:
undetectable		 5kocB-5f8zA:
19.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fbz ENZYME SUBTILASE
SUBHAL FROM BACILLUS
HALMAPALUS

(Bacillus
halmapalus) 		PF00082
(Peptidase_S8)
PF04151
(PPC) 		5 SER A  75
GLY A 251
GLY A 223
ASN A 161
HIS A  68
 5VV  A   1 ( 2.6A)
None
None
None
None
 1.07A 5kocB-5fbzA:
undetectable		 5kocB-5fbzA:
22.57
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.
5ffn ENZYME SUBTILASE
SUBTY FROM BACILLUS
SP. TY145

(Bacillus sp.
(in: Bacteria)) 		PF00082
(Peptidase_S8) 		5 GLY A  73
GLY A  71
THR A  36
GLN A  70
VAL A  33
 None
 1.17A 5kocB-5ffnA:
undetectable		 5kocB-5ffnA:
20.29
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.
5fse UREASE SUBUNIT ALPHA

(Sporosarcina
pasteurii) 		PF00449
(Urease_alpha)
PF01979
(Amidohydro_1) 		5 PHE C 274
SER C 273
GLY C 278
GLY C 281
SER C 250
 KCX  C 220 ( 4.4A)
None
None
None
None
 1.12A 5kocB-5fseC:
undetectable		 5kocB-5fseC:
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.
5g23 TYPE-IV LIKE PILIN
TTHA1219

(Thermus
thermophilus) 		no annotation 5 SER A  75
GLY A  85
GLY A 108
VAL A  73
LEU A  72
 None
 1.21A 5kocB-5g23A:
undetectable		 5kocB-5g23A:
20.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hxa ALPHA,ALPHA-TREHALOS
E-PHOSPHATE SYNTHASE
(UDP-FORMING)

(Paraburkholderia
xenovorans) 		PF00982
(Glyco_transf_20) 		5 PHE A 456
GLY A 235
GLN A 194
VAL A 451
LEU A 449
 None
 1.16A 5kocB-5hxaA:
2.3		 5kocB-5hxaA:
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.
5k50 L-THREONINE
3-DEHYDROGENASE

(Trypanosoma
brucei) 		no annotation 5 SER A1176
GLY A1015
GLY A1012
VAL A1007
LEU A1018
 None
None
NAD  A1401 (-3.4A)
None
None
 1.19A 5kocB-5k50A:
4.5		 5kocB-5k50A:
22.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5kpg PAVINE
N-METHYLTRANSFERASE

(Thalictrum
flavum) 		PF02353
(CMAS) 		12 PHE A  96
SER A  97
GLY A 135
GLY A 137
SER A 140
THR A 158
ASN A 159
GLN A 163
VAL A 186
VAL A 201
LEU A 203
HIS A 206
 None
SAH  A 401 (-2.5A)
SAH  A 401 (-3.7A)
SAH  A 401 ( 3.8A)
SAH  A 401 (-3.3A)
None
SAH  A 401 (-3.4A)
SAH  A 401 (-3.5A)
SAH  A 401 (-3.8A)
SAH  A 401 (-4.3A)
SAH  A 401 (-4.5A)
SAH  A 401 (-3.9A)
 0.26A 5kocB-5kpgA:
53.7		 5kocB-5kpgA:
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.
5m63 H CHAIN OF FAB
NVS-1-19-5
L CHAIN OF FAB
NVS-1-19-5

(Oryctolagus
cuniculus;
Oryctolagus
cuniculus) 		PF07654
(C1-set)
PF07686
(V-set)
PF07654
(C1-set)
PF07686
(V-set) 		5 GLY L 114
GLY H 129
THR L 123
VAL L  24
LEU L  26
 None
 1.19A 5kocB-5m63L:
undetectable		 5kocB-5m63L:
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.
5mrw POTASSIUM-TRANSPORTI
NG ATPASE
POTASSIUM-BINDING
SUBUNIT

(Escherichia
coli) 		PF03814
(KdpA) 		5 GLY A 132
SER A 125
THR A 134
ASN A 137
LEU A  77
 None
 1.18A 5kocB-5mrwA:
undetectable		 5kocB-5mrwA:
21.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ngk GLUCOSYLCERAMIDASE

(Bacteroides
thetaiotaomicron) 		PF02055
(Glyco_hydro_30)
PF17189
(Glyco_hydro_30C) 		5 GLY A  90
SER A 126
THR A  92
ASN A  95
LEU A 134
 None
 1.16A 5kocB-5ngkA:
undetectable		 5kocB-5ngkA:
22.48
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.
5w7c ACYLOXYACYL
HYDROLASE

(Homo sapiens) 		no annotation 5 SER C 310
GLY C 303
GLY C 306
ASN C 336
LEU C 536
 None
 1.20A 5kocB-5w7cC:
2.0		 5kocB-5w7cC:
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.
5wy0 SMALL RNA
2'-O-METHYLTRANSFERA
SE

(Homo sapiens) 		no annotation 5 GLY A  25
GLY A  27
VAL A  85
LEU A 103
HIS A 106
 SAM  A 800 (-3.6A)
SAM  A 800 (-3.5A)
SAM  A 800 (-3.5A)
SAM  A 800 (-4.4A)
SAM  A 800 (-4.1A)
 0.76A 5kocB-5wy0A:
11.1		 5kocB-5wy0A:
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.
5xon TRANSCRIPTION
ELONGATION FACTOR
SPT4

(Komagataella
phaffii) 		PF06093
(Spt4) 		5 GLY V  80
GLY V  61
SER V  66
VAL V  58
LEU V  81
 None
 1.08A 5kocB-5xonV:
undetectable		 5kocB-5xonV:
14.66
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.
5y9d ACYL-COENZYME A
OXIDASE 1

(Yarrowia
lipolytica) 		no annotation 5 PHE A 633
GLY A 628
THR A  28
ASN A  32
HIS A 301
 None
 1.11A 5kocB-5y9dA:
undetectable		 5kocB-5y9dA:
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.
5yy3 -

(-) 		no annotation 5 GLY A 319
ASN A 347
GLN A 324
LEU A 390
HIS A 208
 None
 1.16A 5kocB-5yy3A:
undetectable		 5kocB-5yy3A:
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.
6bld CYTOCHROME P450
268A2 CYP268A2

(Mycobacterium
marinum) 		no annotation 5 PHE A 311
GLY A 367
GLY A 365
VAL A  73
HIS A 370
 HEM  A 501 (-4.6A)
None
HEM  A 501 (-3.9A)
None
HEM  A 501 (-3.8A)
 1.18A 5kocB-6bldA:
undetectable		 5kocB-6bldA:
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.
6bqc CYCLOPROPANE-FATTY-A
CYL-PHOSPHOLIPID
SYNTHASE

(Escherichia
coli) 		no annotation 7 SER A 138
GLY A 175
GLY A 177
THR A 197
GLN A 202
VAL A 235
HIS A 240
 CO3  A 401 (-4.5A)
None
None
None
None
None
LOP  A 402 (-3.2A)
 0.75A 5kocB-6bqcA:
28.9		 5kocB-6bqcA:
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.
6cfw MONOVALENT CATION/H+
ANTIPORTER SUBUNIT D

(Pyrococcus
furiosus) 		no annotation 5 PHE H  96
SER H  95
GLY H  44
VAL H  91
LEU H  89
 None
 1.20A 5kocB-6cfwH:
undetectable		 5kocB-6cfwH:
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.
6gkv COCLAURINE
N-METHYLTRANSFERASE

(Coptis japonica) 		no annotation 8 SER A  99
GLY A 137
GLY A 139
THR A 160
ASN A 161
GLN A 165
LEU A 205
HIS A 208
 SAH  A 501 (-2.4A)
SAH  A 501 (-3.5A)
SAH  A 501 (-3.1A)
SAH  A 501 ( 4.8A)
SAH  A 501 (-3.6A)
SAH  A 501 (-2.7A)
SAH  A 501 (-4.3A)
SAH  A 501 ( 4.6A)
 0.63A 5kocB-6gkvA:
48.1		 5kocB-6gkvA:
undetectable