SIMILAR PATTERNS OF AMINO ACIDS FOR 3O02_B_JN3B1_1

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.
1c3x PENTOSYLTRANSFERASE

(Cellulomonas
sp.) 		PF01048
(PNP_UDP_1) 		5 ILE A 131
ALA A  97
LEU A 276
LEU A  55
VAL A  87
 None
 1.16A 3o02A-1c3xA:
undetectable
3o02B-1c3xA:
0.0		 3o02A-1c3xA:
22.67
3o02B-1c3xA:
22.67
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.
1e43 ALPHA-AMYLASE

(Bacillus
amyloliquefaciens) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		5 ILE A 428
ALA A 347
LEU A 307
LEU A 292
VAL A 339
 None
 1.22A 3o02A-1e43A:
0.0
3o02B-1e43A:
0.0		 3o02A-1e43A:
20.16
3o02B-1e43A:
20.16
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.
1eys PHOTOSYNTHETIC
REACTION CENTER

(Thermochromatium
tepidum) 		PF02276
(CytoC_RC) 		5 ARG C 107
ILE C 262
ASN C 266
LEU C 269
VAL C 268
 None
HEM  C 610 ( 4.9A)
None
HEM  C 610 (-4.7A)
None
 1.23A 3o02A-1eysC:
undetectable
3o02B-1eysC:
undetectable		 3o02A-1eysC:
21.36
3o02B-1eysC:
21.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1g68 BETA-LACTAMASE PSE-4

(Pseudomonas
aeruginosa) 		PF13354
(Beta-lactamase2) 		5 ILE A 155
LYS A 192
PHE A 195
ALA A  78
LEU A 152
 None
 1.18A 3o02A-1g68A:
0.0
3o02B-1g68A:
0.0		 3o02A-1g68A:
25.99
3o02B-1g68A:
25.99
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.
1hkk CHITOTRIOSIDASE-1

(Homo sapiens) 		PF00704
(Glyco_hydro_18) 		5 ILE A  96
ASN A 115
LEU A 137
LEU A 158
VAL A 110
 None
ZN  A1393 (-4.0A)
None
None
None
 1.23A 3o02A-1hkkA:
0.0
3o02B-1hkkA:
0.0		 3o02A-1hkkA:
22.19
3o02B-1hkkA:
22.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1j1u TYROSYL-TRNA
SYNTHETASE

(Methanocaldococcus
jannaschii) 		PF00579
(tRNA-synt_1b) 		5 ILE A 213
LYS A 225
ASN A 289
ALA A 292
LEU A 299
 None
 1.24A 3o02A-1j1uA:
0.0
3o02B-1j1uA:
0.0		 3o02A-1j1uA:
21.53
3o02B-1j1uA:
21.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1js4 ENDO/EXOCELLULASE E4

(Thermobifida
fusca) 		PF00759
(Glyco_hydro_9)
PF00942
(CBM_3) 		5 ALA A  70
LEU A  93
ASN A  96
LEU A  97
VAL A 100
 None
 0.36A 3o02A-1js4A:
0.0
3o02B-1js4A:
2.0		 3o02A-1js4A:
19.08
3o02B-1js4A:
19.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qgj PEROXIDASE N

(Arabidopsis
thaliana) 		PF00141
(peroxidase) 		5 ALA A 214
LEU A 196
ASN A 199
LEU A 200
VAL A 203
 None
 0.61A 3o02A-1qgjA:
0.0
3o02B-1qgjA:
undetectable		 3o02A-1qgjA:
22.47
3o02B-1qgjA:
22.47
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.
1su7 CARBON MONOXIDE
DEHYDROGENASE 2

(Carboxydothermus
hydrogenoformans) 		PF03063
(Prismane) 		5 ILE A 126
LYS A 122
ALA A 143
LEU A 229
LEU A 104
 None
 1.09A 3o02A-1su7A:
0.0
3o02B-1su7A:
0.0		 3o02A-1su7A:
20.03
3o02B-1su7A:
20.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1td2 PYRIDOXAMINE KINASE

(Escherichia
coli) 		PF08543
(Phos_pyr_kin) 		5 ASN A 160
ALA A 164
LEU A 171
LEU A 150
VAL A 158
 None
 1.23A 3o02A-1td2A:
undetectable
3o02B-1td2A:
undetectable		 3o02A-1td2A:
23.48
3o02B-1td2A:
23.48
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.
1v6b HARMONIN ISOFORM A1

(Mus musculus) 		PF00595
(PDZ) 		5 ILE A  99
LYS A  26
ALA A  56
LEU A  88
LEU A  32
 None
 1.00A 3o02A-1v6bA:
undetectable
3o02B-1v6bA:
undetectable		 3o02A-1v6bA:
17.38
3o02B-1v6bA:
17.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wl4 ACETYL-COENZYME A
ACETYLTRANSFERASE 2

(Homo sapiens) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 ARG A 279
ILE A 280
ALA A 278
LEU A 363
LEU A 367
 None
 1.16A 3o02A-1wl4A:
undetectable
3o02B-1wl4A:
undetectable		 3o02A-1wl4A:
22.08
3o02B-1wl4A:
22.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1y8q UBIQUITIN-LIKE 2
ACTIVATING ENZYME
E1B

(Homo sapiens) 		PF00899
(ThiF)
PF14732
(UAE_UbL)
PF16195
(UBA2_C) 		5 ILE B 326
ASN B 360
ALA B 358
LEU B 196
LEU B 192
 None
 1.12A 3o02A-1y8qB:
undetectable
3o02B-1y8qB:
undetectable		 3o02A-1y8qB:
19.01
3o02B-1y8qB:
19.01
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.
2ae8 IMIDAZOLEGLYCEROL-PH
OSPHATE DEHYDRATASE

(Staphylococcus
aureus) 		PF00475
(IGPD) 		5 ILE A  80
ALA A 175
LEU A  76
LEU A 172
VAL A 105
 None
 1.20A 3o02A-2ae8A:
undetectable
3o02B-2ae8A:
undetectable		 3o02A-2ae8A:
22.43
3o02B-2ae8A:
22.43
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.
2dkn 3-ALPHA-HYDROXYSTERO
ID DEHYDROGENASE

(Pseudomonas sp.
B-0831) 		PF13561
(adh_short_C2) 		5 ILE A   4
ALA A 109
LEU A  63
LEU A 101
VAL A 176
 None
 1.20A 3o02A-2dknA:
undetectable
3o02B-2dknA:
undetectable		 3o02A-2dknA:
21.66
3o02B-2dknA:
21.66
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.
2dkn 3-ALPHA-HYDROXYSTERO
ID DEHYDROGENASE

(Pseudomonas sp.
B-0831) 		PF13561
(adh_short_C2) 		5 ILE A   4
ASN A 179
ALA A 109
LEU A  63
LEU A 101
 None
 1.06A 3o02A-2dknA:
undetectable
3o02B-2dknA:
undetectable		 3o02A-2dknA:
21.66
3o02B-2dknA:
21.66
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.
2jda YECBM32

(Yersinia
enterocolitica) 		PF00754
(F5_F8_type_C) 		5 ILE A 128
ALA A  30
LEU A 115
LEU A  48
VAL A  13
 None
None
None
None
GOL  A1147 ( 4.8A)
 1.17A 3o02A-2jdaA:
undetectable
3o02B-2jdaA:
undetectable		 3o02A-2jdaA:
18.24
3o02B-2jdaA:
18.24
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.
2nsm CARBOXYPEPTIDASE N
CATALYTIC CHAIN

(Homo sapiens) 		PF00246
(Peptidase_M14)
PF13620
(CarboxypepD_reg) 		5 PHE A 357
ALA A 337
ASN A 333
LEU A 334
VAL A 326
 None
 1.24A 3o02A-2nsmA:
undetectable
3o02B-2nsmA:
undetectable		 3o02A-2nsmA:
19.60
3o02B-2nsmA:
19.60
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.
2o2c GLUCOSE-6-PHOSPHATE
ISOMERASE,
GLYCOSOMAL

(Trypanosoma
brucei) 		PF00342
(PGI) 		5 ARG A 123
ILE A 125
LEU A 371
LEU A 375
VAL A 378
 None
 0.75A 3o02A-2o2cA:
undetectable
3o02B-2o2cA:
undetectable		 3o02A-2o2cA:
20.23
3o02B-2o2cA:
20.23
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.
2o8v THIOREDOXIN 1

(Escherichia
coli) 		PF00085
(Thioredoxin) 		5 ASN B  83
ALA B  22
LEU B 103
ASN B 106
LEU B 107
 None
 1.20A 3o02A-2o8vB:
undetectable
3o02B-2o8vB:
undetectable		 3o02A-2o8vB:
16.94
3o02B-2o8vB:
16.94
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.
2oj4 REGULATOR OF
G-PROTEIN SIGNALING
3

(Homo sapiens) 		PF00615
(RGS) 		5 ILE A  68
ALA A  60
ASN A  89
LEU A  90
VAL A  93
 None
 1.16A 3o02A-2oj4A:
4.1
3o02B-2oj4A:
3.4		 3o02A-2oj4A:
21.09
3o02B-2oj4A:
21.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2p1r LIPID KINASE YEGS

(Salmonella
enterica) 		PF00781
(DAGK_cat) 		5 ALA A  16
LEU A  93
ASN A  12
LEU A  11
VAL A  39
 None
 1.14A 3o02A-2p1rA:
undetectable
3o02B-2p1rA:
undetectable		 3o02A-2p1rA:
22.22
3o02B-2p1rA:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pp3 L-TALARATE/GALACTARA
TE DEHYDRATASE

(Salmonella
enterica) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ARG A 214
ALA A 216
LEU A 176
LEU A 180
VAL A 183
 None
 1.04A 3o02A-2pp3A:
undetectable
3o02B-2pp3A:
undetectable		 3o02A-2pp3A:
23.54
3o02B-2pp3A:
23.54
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.
2px9 SUMO-ACTIVATING
ENZYME SUBUNIT 2

(Homo sapiens) 		PF10585
(UBA_e1_thiolCys) 		5 ILE A 326
ASN A 360
ALA A 358
LEU A 196
LEU A 192
 None
 1.16A 3o02A-2px9A:
undetectable
3o02B-2px9A:
undetectable		 3o02A-2px9A:
21.27
3o02B-2px9A:
21.27
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.
2qj8 MLR6093 PROTEIN

(Mesorhizobium
japonicum) 		PF04952
(AstE_AspA) 		5 ARG A 300
ILE A 299
ALA A 301
LEU A 325
VAL A 277
 None
 1.23A 3o02A-2qj8A:
undetectable
3o02B-2qj8A:
undetectable		 3o02A-2qj8A:
22.22
3o02B-2qj8A:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qsa DNAJ HOMOLOG DNJ-2

(Caenorhabditis
elegans) 		PF00226
(DnaJ) 		5 PHE A  26
ALA A  88
LEU A  53
LEU A  41
VAL A  40
 None
 1.19A 3o02A-2qsaA:
undetectable
3o02B-2qsaA:
undetectable		 3o02A-2qsaA:
13.61
3o02B-2qsaA:
13.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2x0s PYRUVATE PHOSPHATE
DIKINASE

(Trypanosoma
brucei) 		PF00391
(PEP-utilizers)
PF01326
(PPDK_N)
PF02896
(PEP-utilizers_C) 		5 ILE A 523
ALA A 430
LEU A 408
ASN A 407
LEU A 535
 None
 1.22A 3o02A-2x0sA:
undetectable
3o02B-2x0sA:
undetectable		 3o02A-2x0sA:
15.63
3o02B-2x0sA:
15.63
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.
2yhe SEC-ALKYL SULFATASE

(Pseudomonas sp.
DSM 6611) 		PF00753
(Lactamase_B)
PF14863
(Alkyl_sulf_dimr)
PF14864
(Alkyl_sulf_C) 		5 ALA A 383
LEU A 420
ASN A 423
LEU A 424
VAL A 427
 None
 1.01A 3o02A-2yheA:
undetectable
3o02B-2yheA:
undetectable		 3o02A-2yheA:
19.07
3o02B-2yheA:
19.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ym9 CELL INVASION
PROTEIN SIPD

(Salmonella
enterica) 		PF06511
(IpaD) 		6 ASN A 104
ALA A 108
LEU A 318
ASN A 321
LEU A 322
VAL A 325
 None
 0.56A 3o02A-2ym9A:
32.9
3o02B-2ym9A:
32.8		 3o02A-2ym9A:
89.02
3o02B-2ym9A:
89.02
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.
2ywr PHOSPHORIBOSYLGLYCIN
AMIDE
FORMYLTRANSFERASE

(Aquifex
aeolicus) 		PF00551
(Formyl_trans_N) 		5 ASN A  38
ALA A  43
ASN A  14
LEU A  15
VAL A   8
 None
None
MG  A 703 (-4.0A)
None
None
 1.21A 3o02A-2ywrA:
undetectable
3o02B-2ywrA:
undetectable		 3o02A-2ywrA:
21.14
3o02B-2ywrA:
21.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zgd 3 REPEAT SYNTHETIC
ANKYRIN

(-) 		PF12796
(Ank_2) 		5 ILE A 108
ASN A  67
ALA A  65
LEU A  77
LEU A  61
 None
 1.18A 3o02A-2zgdA:
undetectable
3o02B-2zgdA:
undetectable		 3o02A-2zgdA:
16.94
3o02B-2zgdA:
16.94
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.
3act CELLOBIOSE
PHOSPHORYLASE

(Cellulomonas
gilvus) 		PF06165
(Glyco_transf_36)
PF17167
(Glyco_hydro_36) 		5 PHE A 664
LEU A 494
ASN A 493
LEU A 647
VAL A 650
 BGC  A2901 (-4.7A)
None
None
None
None
 1.24A 3o02A-3actA:
1.7
3o02B-3actA:
1.8		 3o02A-3actA:
17.92
3o02B-3actA:
17.92
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.
3aeq LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT B

(Rhodobacter
capsulatus) 		PF00148
(Oxidored_nitro) 		5 ARG B 142
ALA B 139
LEU B 199
LEU B 140
VAL B 118
 None
 1.23A 3o02A-3aeqB:
undetectable
3o02B-3aeqB:
undetectable		 3o02A-3aeqB:
19.74
3o02B-3aeqB:
19.74
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.
3cgh SUSD HOMOLOG

(Bacteroides
thetaiotaomicron) 		PF12741
(SusD-like) 		5 ALA A 135
LEU A 112
ASN A 115
LEU A 116
VAL A 119
 None
None
None
ACT  A   1 ( 4.1A)
None
 0.68A 3o02A-3cghA:
3.9
3o02B-3cghA:
3.5		 3o02A-3cghA:
20.31
3o02B-3cghA:
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.
3dcx PROTEIN OF UNKNOWN
FUNCTION (DUF1696)
WITH
PLECKSTRIN-HOMOLOGY
DOMAINS

(Shewanella
loihica) 		PF08000
(bPH_1) 		5 ILE A  52
PHE A 122
ALA A  36
LEU A  23
LEU A  19
 None
 1.03A 3o02A-3dcxA:
undetectable
3o02B-3dcxA:
undetectable		 3o02A-3dcxA:
19.22
3o02B-3dcxA:
19.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dxb THIOREDOXIN
N-TERMINALLY FUSED
TO PUF60(UHM)

(Escherichia
coli;
Homo sapiens) 		PF00085
(Thioredoxin) 		5 ASN A 427
ALA A 366
LEU A 447
ASN A 450
LEU A 451
 None
 1.17A 3o02A-3dxbA:
undetectable
3o02B-3dxbA:
undetectable		 3o02A-3dxbA:
21.23
3o02B-3dxbA:
21.23
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.
3eet PUTATIVE GNTR-FAMILY
TRANSCRIPTIONAL
REGULATOR

(Streptomyces
avermitilis) 		PF00392
(GntR)
PF07702
(UTRA) 		5 ILE A  37
ALA A  13
LEU A  31
LEU A  55
VAL A  54
 None
 0.90A 3o02A-3eetA:
undetectable
3o02B-3eetA:
undetectable		 3o02A-3eetA:
23.87
3o02B-3eetA:
23.87
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.
3fk4 RUBISCO-LIKE PROTEIN

(Bacillus cereus) 		PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N) 		5 ILE A 258
ALA A 229
LEU A 252
LEU A 215
VAL A 213
 None
 1.16A 3o02A-3fk4A:
undetectable
3o02B-3fk4A:
undetectable		 3o02A-3fk4A:
20.97
3o02B-3fk4A:
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.
3hgo 12-OXOPHYTODIENOATE
REDUCTASE 3

(Solanum
lycopersicum) 		PF00724
(Oxidored_FMN) 		5 ARG A 309
ALA A 311
LEU A 253
LEU A 257
VAL A 260
 None
 0.90A 3o02A-3hgoA:
undetectable
3o02B-3hgoA:
undetectable		 3o02A-3hgoA:
22.63
3o02B-3hgoA:
22.63
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.
3ihy PHOSPHATIDYLINOSITOL
3-KINASE CATALYTIC
SUBUNIT TYPE 3

(Homo sapiens) 		PF00454
(PI3_PI4_kinase)
PF00613
(PI3Ka) 		5 ARG A 320
ALA A 348
LEU A 330
LEU A 334
VAL A 337
 None
 1.18A 3o02A-3ihyA:
undetectable
3o02B-3ihyA:
undetectable		 3o02A-3ihyA:
21.50
3o02B-3ihyA:
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.
3il4 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3

(Enterococcus
faecalis) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		5 ARG A  10
ILE A  11
ALA A   9
LEU A 124
VAL A 131
 None
 1.16A 3o02A-3il4A:
undetectable
3o02B-3il4A:
undetectable		 3o02A-3il4A:
23.26
3o02B-3il4A:
23.26
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.
3imk PUTATIVE MOLYBDENUM
CARRIER PROTEIN

(Syntrophus
aciditrophicus) 		PF12694
(MoCo_carrier) 		5 ILE A 110
ALA A 116
LEU A 107
LEU A 151
VAL A 154
 GOL  A 159 ( 4.1A)
None
None
None
None
 1.13A 3o02A-3imkA:
undetectable
3o02B-3imkA:
undetectable		 3o02A-3imkA:
20.90
3o02B-3imkA:
20.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3j31 C381 TURRET PROTEIN

(Sulfolobus
turreted
icosahedral
virus 1) 		no annotation 5 ILE P 287
ALA P 318
LEU P 371
LEU P 299
VAL P 330
 None
 1.15A 3o02A-3j31P:
undetectable
3o02B-3j31P:
undetectable		 3o02A-3j31P:
23.04
3o02B-3j31P:
23.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3l76 ASPARTOKINASE

(Synechocystis
sp. PCC 6803) 		PF00696
(AA_kinase)
PF01842
(ACT)
PF13840
(ACT_7) 		5 ILE A 349
PHE A 289
ALA A 326
LEU A 323
VAL A 318
 None
 1.16A 3o02A-3l76A:
undetectable
3o02B-3l76A:
undetectable		 3o02A-3l76A:
20.27
3o02B-3l76A:
20.27
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.
3n6x PUTATIVE
GLUTATHIONYLSPERMIDI
NE SYNTHASE

(Methylobacillus
flagellatus) 		PF14403
(CP_ATPgrasp_2) 		6 ILE A 143
ALA A 309
LEU A 202
ASN A 205
LEU A 206
VAL A 209
 None
 0.90A 3o02A-3n6xA:
undetectable
3o02B-3n6xA:
undetectable		 3o02A-3n6xA:
21.54
3o02B-3n6xA:
21.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3o01 CELL INVASION
PROTEIN SIPD

(Salmonella
enterica) 		PF06511
(IpaD) 		6 ASN A 104
ALA A 108
LEU A 318
ASN A 321
LEU A 322
VAL A 325
 None
 0.47A 3o02A-3o01A:
38.1
3o02B-3o01A:
33.3		 3o02A-3o01A:
99.68
3o02B-3o01A:
99.68
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.
3o2u NEDD8-CONJUGATING
ENZYME UBC12

(Saccharomyces
cerevisiae) 		PF00179
(UQ_con) 		5 ILE A1108
ASN A1083
LEU A1139
LEU A1136
VAL A1066
 None
 1.17A 3o02A-3o2uA:
undetectable
3o02B-3o2uA:
undetectable		 3o02A-3o2uA:
19.93
3o02B-3o2uA:
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.
3rm5 HYDROXYMETHYLPYRIMID
INE/PHOSPHOMETHYLPYR
IMIDINE KINASE THI20

(Saccharomyces
cerevisiae) 		PF03070
(TENA_THI-4)
PF08543
(Phos_pyr_kin) 		5 ILE A  29
ASN A  94
LEU A  84
ASN A  87
LEU A  88
 None
 1.15A 3o02A-3rm5A:
undetectable
3o02B-3rm5A:
undetectable		 3o02A-3rm5A:
19.53
3o02B-3rm5A:
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.
3s8d COENZYME A
TRANSFERASE

(Yersinia pestis) 		PF02550
(AcetylCoA_hydro)
PF13336
(AcetylCoA_hyd_C) 		5 ILE A 320
ALA A 214
LEU A 223
LEU A 238
VAL A 237
 None
 1.03A 3o02A-3s8dA:
undetectable
3o02B-3s8dA:
undetectable		 3o02A-3s8dA:
21.89
3o02B-3s8dA:
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.
3swg UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE

(Aquifex
aeolicus) 		PF00275
(EPSP_synthase) 		5 ILE A  90
ASN A 155
ALA A 116
LEU A  69
LEU A 109
 EDO  A 507 (-4.3A)
None
None
None
None
 1.20A 3o02A-3swgA:
undetectable
3o02B-3swgA:
undetectable		 3o02A-3swgA:
22.76
3o02B-3swgA:
22.76
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.
3ttl POLYAMINE TRANSPORT
PROTEIN

(Pseudomonas
aeruginosa) 		PF13416
(SBP_bac_8) 		5 ILE A 300
ALA A 312
LEU A 295
ASN A 108
LEU A 109
 None
 1.11A 3o02A-3ttlA:
undetectable
3o02B-3ttlA:
undetectable		 3o02A-3ttlA:
22.13
3o02B-3ttlA:
22.13
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.
3ugv ENOLASE

(alpha
proteobacterium
BAL199) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ARG A 215
ALA A 212
LEU A 246
LEU A 242
VAL A 231
 None
 1.13A 3o02A-3ugvA:
undetectable
3o02B-3ugvA:
undetectable		 3o02A-3ugvA:
21.48
3o02B-3ugvA:
21.48
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.
3vpr TRANSCRIPTIONAL
REGULATOR, TETR
FAMILY

(Thermus
thermophilus) 		PF00440
(TetR_N) 		5 ILE A 181
ALA A 147
LEU A  79
LEU A 130
VAL A 142
 None
 1.18A 3o02A-3vprA:
undetectable
3o02B-3vprA:
2.0		 3o02A-3vprA:
21.02
3o02B-3vprA:
21.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wdg UNCHARACTERIZED
PROTEIN

(Staphylococcus
aureus) 		PF06106
(SAUGI) 		5 ILE B  78
ASN B  48
ALA B  32
LEU B  94
ASN B  96
 None
 1.15A 3o02A-3wdgB:
undetectable
3o02B-3wdgB:
undetectable		 3o02A-3wdgB:
15.91
3o02B-3wdgB:
15.91
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.
4a1r LIP

(Serratia
marcescens) 		PF12790
(T6SS-SciN) 		5 ILE A 122
PHE A  77
LEU A  63
LEU A  87
VAL A  86
 None
 1.15A 3o02A-4a1rA:
undetectable
3o02B-4a1rA:
undetectable		 3o02A-4a1rA:
21.43
3o02B-4a1rA:
21.43
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.
4bmv SHORT-CHAIN
DEHYDROGENASE

(Sphingobium
yanoikuyae) 		PF00106
(adh_short) 		5 ARG A  26
ALA A  25
LEU A  33
LEU A  31
VAL A  54
 None
 1.21A 3o02A-4bmvA:
undetectable
3o02B-4bmvA:
undetectable		 3o02A-4bmvA:
21.81
3o02B-4bmvA:
21.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4by9 FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE

(Pyrococcus
furiosus) 		PF01269
(Fibrillarin) 		5 ILE E 127
ALA E 131
LEU E  78
LEU E  80
VAL E 151
 None
 1.23A 3o02A-4by9E:
undetectable
3o02B-4by9E:
undetectable		 3o02A-4by9E:
18.04
3o02B-4by9E:
18.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4di1 ENOYL-COA HYDRATASE
ECHA17

(Mycobacterium
marinum) 		PF00378
(ECH_1) 		5 ILE A  93
ALA A  37
LEU A  52
LEU A  16
VAL A   7
 None
 1.15A 3o02A-4di1A:
undetectable
3o02B-4di1A:
undetectable		 3o02A-4di1A:
19.88
3o02B-4di1A:
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.
4e0b MALATE DEHYDROGENASE

(Vibrio
vulnificus) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 ILE A 116
ALA A 102
LEU A 143
LEU A 132
VAL A 131
 None
 1.12A 3o02A-4e0bA:
undetectable
3o02B-4e0bA:
undetectable		 3o02A-4e0bA:
22.71
3o02B-4e0bA:
22.71
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.
4eah FORMIN-LIKE PROTEIN
3

(Mus musculus) 		PF02181
(FH2) 		5 ILE A 750
ALA A 888
LEU A 841
LEU A 845
VAL A 848
 None
 1.01A 3o02A-4eahA:
undetectable
3o02B-4eahA:
undetectable		 3o02A-4eahA:
22.82
3o02B-4eahA:
22.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4h0o ACETATE KINASE

(Entamoeba
histolytica) 		PF00871
(Acetate_kinase) 		5 ASN A 376
ALA A 374
LEU A 317
LEU A 183
VAL A 179
 None
 1.24A 3o02A-4h0oA:
undetectable
3o02B-4h0oA:
undetectable		 3o02A-4h0oA:
22.89
3o02B-4h0oA:
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.
4i59 CYCLOHEXYLAMINE
OXIDASE

(Microbacterium
oxydans) 		PF01593
(Amino_oxidase) 		5 ARG A 327
ILE A 366
ALA A 326
LEU A 352
LEU A 393
 None
 1.11A 3o02A-4i59A:
undetectable
3o02B-4i59A:
undetectable		 3o02A-4i59A:
22.87
3o02B-4i59A:
22.87
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.
4jc8 HOPS COMPONENT VPS33

(Chaetomium
thermophilum) 		PF00995
(Sec1) 		5 ILE A  78
ASN A  59
LEU A  20
LEU A  52
VAL A  57
 None
 1.19A 3o02A-4jc8A:
2.1
3o02B-4jc8A:
undetectable		 3o02A-4jc8A:
19.70
3o02B-4jc8A:
19.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jig DEHYDROGENASE

(Burkholderia
cenocepacia) 		PF13561
(adh_short_C2) 		5 ILE A 143
ASN A 117
ALA A 121
LEU A 176
LEU A 172
 None
 1.19A 3o02A-4jigA:
undetectable
3o02B-4jigA:
undetectable		 3o02A-4jigA:
21.70
3o02B-4jigA:
21.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kca ENDO-1,5-ALPHA-L-ARA
BINANASE

(Bos taurus) 		PF00085
(Thioredoxin)
PF04616
(Glyco_hydro_43)
PF16369
(GH43_C) 		5 ASN A  83
ALA A  22
LEU A 103
ASN A 106
LEU A 107
 None
IOD  A 722 ( 4.5A)
None
None
IOD  A 722 ( 4.8A)
 1.14A 3o02A-4kcaA:
undetectable
3o02B-4kcaA:
undetectable		 3o02A-4kcaA:
18.76
3o02B-4kcaA:
18.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4n2p PROTEIN ARCHEASE

(Pyrococcus
horikoshii) 		PF01951
(Archease) 		5 ARG A  17
ILE A  16
ALA A 137
LEU A  67
LEU A  63
 None
 1.03A 3o02A-4n2pA:
undetectable
3o02B-4n2pA:
undetectable		 3o02A-4n2pA:
17.83
3o02B-4n2pA:
17.83
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.
4ng4 PHOSPHOGLYCERATE
KINASE

(Coxiella
burnetii) 		PF00162
(PGK) 		5 ILE A 345
ALA A 190
LEU A 378
LEU A 207
VAL A 211
 None
 1.21A 3o02A-4ng4A:
undetectable
3o02B-4ng4A:
undetectable		 3o02A-4ng4A:
22.51
3o02B-4ng4A:
22.51
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.
4o0m CIRCADIAN CLOCK
PROTEIN KINASE KAIC

(Thermosynechococcus
elongatus) 		PF06745
(ATPase) 		5 ILE A 346
ALA A 376
LEU A 344
LEU A 302
VAL A 298
 None
 1.24A 3o02A-4o0mA:
undetectable
3o02B-4o0mA:
undetectable		 3o02A-4o0mA:
20.08
3o02B-4o0mA:
20.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4o9r SMOOTHENED
HOMOLOG/SOLUBLE
CYTOCHROME B562
CHIMERIC PROTEIN

(Escherichia
coli;
Homo sapiens) 		PF01534
(Frizzled)
PF07361
(Cytochrom_B562) 		5 ILE A1072
ALA A1091
LEU A1010
ASN A1013
LEU A1014
 None
 0.77A 3o02A-4o9rA:
undetectable
3o02B-4o9rA:
undetectable		 3o02A-4o9rA:
22.63
3o02B-4o9rA:
22.63
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.
4p1z PIWI-LIKE PROTEIN 1

(Mus musculus) 		PF02171
(Piwi) 		5 ALA A 602
LEU A 512
ASN A 515
LEU A 516
VAL A 519
 None
 0.75A 3o02A-4p1zA:
undetectable
3o02B-4p1zA:
undetectable		 3o02A-4p1zA:
20.97
3o02B-4p1zA:
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.
4pr3 5'-METHYLTHIOADENOSI
NE NUCLEOSIDASE /
S-ADENOSYLHOMOCYSTEI
NE NUCLEOSIDASE

(Brucella
melitensis) 		PF01048
(PNP_UDP_1) 		5 ARG A 196
ALA A 193
LEU A 161
LEU A 163
VAL A  76
 None
 0.94A 3o02A-4pr3A:
undetectable
3o02B-4pr3A:
undetectable		 3o02A-4pr3A:
24.68
3o02B-4pr3A:
24.68
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.
4puc SUSD HOMOLOG

(Bacteroides
uniformis) 		PF12741
(SusD-like) 		5 ALA A 137
LEU A 114
ASN A 117
LEU A 118
VAL A 121
 None
 0.71A 3o02A-4pucA:
1.2
3o02B-4pucA:
1.0		 3o02A-4pucA:
21.49
3o02B-4pucA:
21.49
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.
4rwa SOLUBLE CYTOCHROME
B562,DELTA-TYPE
OPIOID RECEPTOR

(Escherichia
coli;
Homo sapiens) 		PF00001
(7tm_1)
PF07361
(Cytochrom_B562) 		5 ILE A1072
ALA A1091
LEU A1010
ASN A1013
LEU A1014
 None
 0.87A 3o02A-4rwaA:
8.4
3o02B-4rwaA:
7.9		 3o02A-4rwaA:
22.99
3o02B-4rwaA:
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.
4tsd HP1029

(Helicobacter
pylori) 		no annotation 5 PHE B  50
ALA B 165
LEU B  23
LEU B  27
VAL B  30
 None
 1.01A 3o02A-4tsdB:
undetectable
3o02B-4tsdB:
undetectable		 3o02A-4tsdB:
20.92
3o02B-4tsdB:
20.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4u06 LIC10831

(Leptospira
interrogans) 		PF12799
(LRR_4)
PF13855
(LRR_8) 		6 ILE A  65
ASN A  44
ALA A  41
LEU A  74
LEU A  51
VAL A  48
 None
 1.50A 3o02A-4u06A:
undetectable
3o02B-4u06A:
undetectable		 3o02A-4u06A:
21.47
3o02B-4u06A:
21.47
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.
4u0p LIPOYL SYNTHASE 2

(Thermosynechococcus
elongatus) 		PF04055
(Radical_SAM) 		5 ILE B 220
ALA B 266
LEU B 209
LEU B 235
VAL B 274
 None
 1.01A 3o02A-4u0pB:
undetectable
3o02B-4u0pB:
undetectable		 3o02A-4u0pB:
22.02
3o02B-4u0pB:
22.02
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.
4uoz BETA-GALACTOSIDASE

(Bifidobacterium
animalis) 		PF02449
(Glyco_hydro_42)
PF08532
(Glyco_hydro_42M)
PF08533
(Glyco_hydro_42C) 		5 ARG A 658
ILE A 301
ASN A 659
LEU A 638
VAL A 661
 None
 1.13A 3o02A-4uozA:
undetectable
3o02B-4uozA:
undetectable		 3o02A-4uozA:
17.55
3o02B-4uozA:
17.55
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.
4y2f SENSOR PROTEIN KDPD

(Escherichia
coli) 		PF13492
(GAF_3) 		5 ARG A 546
ALA A 545
LEU A 619
ASN A 618
LEU A 622
 None
 1.24A 3o02A-4y2fA:
undetectable
3o02B-4y2fA:
undetectable		 3o02A-4y2fA:
18.89
3o02B-4y2fA:
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.
5a0t RIBONUCLEASE J

(Streptomyces
coelicolor) 		PF00753
(Lactamase_B)
PF07521
(RMMBL) 		5 ILE A 237
ASN A 332
ALA A 362
LEU A 318
LEU A 357
 None
 1.23A 3o02A-5a0tA:
undetectable
3o02B-5a0tA:
undetectable		 3o02A-5a0tA:
22.68
3o02B-5a0tA:
22.68
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.
5aga DNA POLYMERASE THETA

(Homo sapiens) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		5 ILE A 428
PHE A 422
LEU A 440
LEU A 452
VAL A 450
 None
 1.23A 3o02A-5agaA:
undetectable
3o02B-5agaA:
undetectable		 3o02A-5agaA:
17.18
3o02B-5agaA:
17.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ikf CHROMATIN REMODELING
FACTOR MIT1
CRYPTIC LOCI
REGULATOR PROTEIN 1

(Schizosaccharomyces
pombe) 		no annotation 5 ILE B 364
PHE A1370
ALA A1376
LEU A1359
LEU A1380
 None
 1.24A 3o02A-5ikfB:
undetectable
3o02B-5ikfB:
undetectable		 3o02A-5ikfB:
21.52
3o02B-5ikfB:
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.
5jjp NONRIBOSOMAL PEPTIDE
SYNTHASE

(Streptomyces
sp. MJ635-86F5) 		PF00501
(AMP-binding) 		5 ILE A 222
ALA A  79
LEU A 226
LEU A  49
VAL A  44
 None
 1.18A 3o02A-5jjpA:
undetectable
3o02B-5jjpA:
undetectable		 3o02A-5jjpA:
19.89
3o02B-5jjpA:
19.89
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.
5ksd ATPASE 2, PLASMA
MEMBRANE-TYPE

(Arabidopsis
thaliana) 		PF00122
(E1-E2_ATPase)
PF00690
(Cation_ATPase_N)
PF00702
(Hydrolase) 		5 ILE A 374
ALA A 362
LEU A 485
LEU A 483
VAL A 460
 ACP  A 904 (-4.3A)
None
None
None
None
 1.03A 3o02A-5ksdA:
undetectable
3o02B-5ksdA:
undetectable		 3o02A-5ksdA:
16.26
3o02B-5ksdA:
16.26
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.
5lsr CCMP

(Synechococcus
elongatus) 		no annotation 5 ILE A  22
ALA A 152
LEU A  14
LEU A  11
VAL A   9
 None
 1.09A 3o02A-5lsrA:
undetectable
3o02B-5lsrA:
undetectable		 3o02A-5lsrA:
19.94
3o02B-5lsrA:
19.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5m8j DIVALENT METAL
CATION TRANSPORTER
MNTH

(Eremococcus
coleocola) 		PF01566
(Nramp) 		5 ASN A 310
ALA A 323
LEU A 191
ASN A 316
VAL A 314
 None
 1.14A 3o02A-5m8jA:
undetectable
3o02B-5m8jA:
undetectable		 3o02A-5m8jA:
21.19
3o02B-5m8jA:
21.19
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.
5mb4 GLCNAC SPECIFIC
LECTIN

(Psathyrella) 		PF13517
(VCBS) 		5 ILE A 139
PHE A 195
ALA A 161
LEU A 155
ASN A 158
 None
NAG  A 508 ( 4.7A)
None
None
None
 1.23A 3o02A-5mb4A:
undetectable
3o02B-5mb4A:
undetectable		 3o02A-5mb4A:
22.51
3o02B-5mb4A:
22.51
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.
5ny5 3,4-DIHYDROXYBENZOAT
E DECARBOXYLASE

(Enterobacter
cloacae) 		PF01977
(UbiD) 		5 ARG A 260
ALA A 259
LEU A 234
LEU A 247
VAL A 110
 None
 0.96A 3o02A-5ny5A:
undetectable
3o02B-5ny5A:
undetectable		 3o02A-5ny5A:
21.44
3o02B-5ny5A:
21.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vae ACCESSORY SEC SYSTEM
PROTEIN ASP1

(Streptococcus
gordonii) 		no annotation 5 ILE A 433
ALA A 481
LEU A 435
ASN A 456
LEU A 472
 None
 1.19A 3o02A-5vaeA:
undetectable
3o02B-5vaeA:
undetectable		 3o02A-5vaeA:
13.04
3o02B-5vaeA:
13.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vnx 8-AMINO-7-OXONONANOA
TE SYNTHASE

(Burkholderia
multivorans) 		PF00155
(Aminotran_1_2) 		5 ILE A 258
ASN A 116
ALA A 119
LEU A 123
VAL A 206
 None
9EV  A 242 ( 4.5A)
None
None
None
 1.24A 3o02A-5vnxA:
undetectable
3o02B-5vnxA:
undetectable		 3o02A-5vnxA:
23.63
3o02B-5vnxA:
23.63
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.
5vrq ANKYRIN
REPEAT-CONTAINING
PROTEIN

(Legionella
pneumophila) 		no annotation 5 ARG A 176
ILE A 173
ALA A 175
LEU A 170
VAL A 129
 None
 1.17A 3o02A-5vrqA:
undetectable
3o02B-5vrqA:
undetectable		 3o02A-5vrqA:
15.33
3o02B-5vrqA:
15.33
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.
5x2g CRISPR-ASSOCIATED
ENDONUCLEASE CAS9

(Campylobacter
jejuni) 		no annotation 5 ARG A 270
ALA A 267
LEU A 291
LEU A 295
VAL A 298
 U  B   6 ( 3.7A)
None
None
None
None
 0.77A 3o02A-5x2gA:
0.9
3o02B-5x2gA:
undetectable		 3o02A-5x2gA:
17.15
3o02B-5x2gA:
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.
5xgu RIBONUCLEASE R

(Escherichia
coli) 		no annotation 5 ARG B 294
ILE B 185
ALA B 293
LEU B 321
LEU B 317
 None
 1.24A 3o02A-5xguB:
undetectable
3o02B-5xguB:
undetectable		 3o02A-5xguB:
19.11
3o02B-5xguB:
19.11
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.
5xoc THIOREDOXIN
1,FORKHEAD BOX
PROTEIN H1

(Escherichia
coli;
Homo sapiens) 		no annotation 5 ASN B 294
ALA B 233
LEU B 314
ASN B 317
LEU B 318
 None
 1.18A 3o02A-5xocB:
undetectable
3o02B-5xocB:
undetectable		 3o02A-5xocB:
11.04
3o02B-5xocB:
11.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5y1i CYTOCHROME P450

(Streptomyces
graminofaciens) 		PF00067
(p450) 		5 ILE A 138
ALA A 153
LEU A 380
LEU A 150
VAL A 148
 None
 1.24A 3o02A-5y1iA:
undetectable
3o02B-5y1iA:
undetectable		 3o02A-5y1iA:
22.43
3o02B-5y1iA:
22.43
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.
5y6i -

(-) 		no annotation 5 ARG A 247
ALA A 244
LEU A 198
LEU A 212
VAL A 229
 None
 0.99A 3o02A-5y6iA:
undetectable
3o02B-5y6iA:
undetectable		 3o02A-5y6iA:
undetectable
3o02B-5y6iA:
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.
5yw5 ADENINE
PHOSPHORIBOSYLTRANSF
ERASE

(Francisella
tularensis) 		no annotation 5 ILE A 150
ALA A  44
LEU A 120
LEU A  75
VAL A  74
 None
 0.97A 3o02A-5yw5A:
undetectable
3o02B-5yw5A:
undetectable		 3o02A-5yw5A:
12.99
3o02B-5yw5A:
12.99
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.
6az6 GNTR FAMILY
TRANSCRIPTIONAL
REGULATOR

(Streptococcus
agalactiae) 		no annotation 5 ARG A 112
ILE A 113
ASN A 156
LEU A 121
LEU A 150
 None
 1.22A 3o02A-6az6A:
2.1
3o02B-6az6A:
2.2		 3o02A-6az6A:
13.40
3o02B-6az6A:
13.40
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.
6c0m HEMAGGLUTININ-NEURAM
INIDASE

(Human
respirovirus 3) 		no annotation 5 ILE A 521
ASN A 551
ALA A 528
ASN A 504
LEU A 496
 None
 1.22A 3o02A-6c0mA:
undetectable
3o02B-6c0mA:
undetectable		 3o02A-6c0mA:
16.46
3o02B-6c0mA:
16.46
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.
6dip NOCTURNIN

(Homo sapiens) 		no annotation 5 PHE A 216
ASN A 252
ALA A 266
LEU A 287
LEU A 255
 None
 1.08A 3o02A-6dipA:
undetectable
3o02B-6dipA:
undetectable		 3o02A-6dipA:
12.70
3o02B-6dipA:
12.70
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.
6ez8 HUNTINGTIN

(Homo sapiens) 		no annotation 5 ILE A2446
ASN A2495
ALA A2498
LEU A2467
VAL A2470
 None
 1.21A 3o02A-6ez8A:
undetectable
3o02B-6ez8A:
undetectable		 3o02A-6ez8A:
13.53
3o02B-6ez8A:
13.53