SIMILAR PATTERNS OF AMINO ACIDS FOR 4H2F_A_ADNA601_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.
1h0h FORMATE
DEHYDROGENASE
SUBUNIT ALPHA

(Desulfovibrio
gigas) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4) 		5 ASN A 177
GLY A 401
GLY A 402
GLY A 400
ASP A 181
 None
 1.15A 4h2fA-1h0hA:
undetectable		 4h2fA-1h0hA:
20.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hp1 5'-NUCLEOTIDASE

(Escherichia
coli) 		PF00149
(Metallophos)
PF02872
(5_nucleotid_C) 		5 ARG A 379
GLY A 406
GLY A 408
PHE A 498
ASP A 504
 ATP  A 606 (-3.2A)
None
ATP  A 606 ( 4.2A)
ATP  A 606 (-3.6A)
ATP  A 606 (-2.8A)
 1.26A 4h2fA-1hp1A:
36.8		 4h2fA-1hp1A:
28.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hp1 5'-NUCLEOTIDASE

(Escherichia
coli) 		PF00149
(Metallophos)
PF02872
(5_nucleotid_C) 		8 ARG A 379
GLY A 407
GLY A 408
ARG A 410
PHE A 429
GLY A 458
PHE A 498
ASP A 504
 ATP  A 606 (-3.2A)
ATP  A 606 (-3.3A)
ATP  A 606 ( 4.2A)
ATP  A 606 (-3.4A)
ATP  A 606 (-3.8A)
ATP  A 606 (-3.6A)
ATP  A 606 (-3.6A)
ATP  A 606 (-2.8A)
 0.50A 4h2fA-1hp1A:
36.8		 4h2fA-1hp1A:
28.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hp1 5'-NUCLEOTIDASE

(Escherichia
coli) 		PF00149
(Metallophos)
PF02872
(5_nucleotid_C) 		5 GLY A 408
ARG A 410
PHE A 429
GLY A 406
PHE A 498
 ATP  A 606 ( 4.2A)
ATP  A 606 (-3.4A)
ATP  A 606 (-3.8A)
None
ATP  A 606 (-3.6A)
 1.14A 4h2fA-1hp1A:
36.8		 4h2fA-1hp1A:
28.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hp1 5'-NUCLEOTIDASE

(Escherichia
coli) 		PF00149
(Metallophos)
PF02872
(5_nucleotid_C) 		5 GLY A 408
ARG A 410
PHE A 429
PHE A 498
ASP A 504
 ATP  A 606 ( 4.2A)
ATP  A 606 (-3.4A)
ATP  A 606 (-3.8A)
ATP  A 606 (-3.6A)
ATP  A 606 (-2.8A)
 1.11A 4h2fA-1hp1A:
36.8		 4h2fA-1hp1A:
28.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kqf FORMATE
DEHYDROGENASE,
NITRATE-INDUCIBLE,
MAJOR SUBUNIT

(Escherichia
coli) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4) 		5 ASN A 215
GLY A 440
GLY A 441
GLY A 439
ASP A 219
 None
 1.11A 4h2fA-1kqfA:
undetectable		 4h2fA-1kqfA:
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.
1mpp PEPSIN

(Rhizomucor
pusillus) 		PF00026
(Asp) 		5 ASN A 156
GLY A 162
GLY A 161
PHE A  10
GLY A 163
 None
 1.49A 4h2fA-1mppA:
undetectable		 4h2fA-1mppA:
21.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1s72 50S RIBOSOMAL
PROTEIN L15E

(Haloarcula
marismortui) 		PF00827
(Ribosomal_L15e) 		5 ARG M 171
GLY M 167
GLY M 165
ARG M 168
GLY M 162
 A  0 189 ( 3.2A)
None
G  0 432 ( 3.0A)
C  0 433 ( 3.2A)
C  0 156 ( 4.1A)
 1.40A 4h2fA-1s72M:
undetectable		 4h2fA-1s72M:
16.17
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.
1urh 3-MERCAPTOPYRUVATE
SULFURTRANSFERASE

(Escherichia
coli) 		PF00581
(Rhodanese) 		5 GLY A 120
GLY A 119
PHE A   5
GLY A  95
ASP A  93
 None
 0.93A 4h2fA-1urhA:
undetectable		 4h2fA-1urhA:
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.
1vm7 RIBOKINASE

(Thermotoga
maritima) 		PF00294
(PfkB) 		5 ASN A  44
GLY A  40
GLY A  39
GLY A  42
ASP A 246
 None
 1.12A 4h2fA-1vm7A:
undetectable		 4h2fA-1vm7A:
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.
2aey FRUCTAN
1-EXOHYDROLASE IIA

(Cichorium
intybus) 		PF00251
(Glyco_hydro_32N)
PF08244
(Glyco_hydro_32C) 		5 GLY A 405
ARG A 426
PHE A 424
GLY A 514
PHE A 511
 None
 1.34A 4h2fA-2aeyA:
undetectable		 4h2fA-2aeyA:
20.63
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.
2cw6 HYDROXYMETHYLGLUTARY
L-COA LYASE,
MITOCHONDRIAL

(Homo sapiens) 		PF00682
(HMGL-like) 		5 ASN A 275
GLY A 264
GLY A 265
GLY A  43
ASP A  42
 MG  A 401 (-2.8A)
None
None
None
MG  A 401 (-2.5A)
 1.35A 4h2fA-2cw6A:
3.0		 4h2fA-2cw6A:
20.28
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.
2d0v METHANOL
DEHYDROGENASE LARGE
SUBUNIT

(Hyphomicrobium
denitrificans) 		PF01011
(PQQ)
PF13360
(PQQ_2) 		5 GLY A 542
GLY A 544
GLY A 538
PHE A 547
ASP A 105
 None
 1.17A 4h2fA-2d0vA:
undetectable		 4h2fA-2d0vA:
21.76
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.
2p5i BH3822 PROTEIN

(Bacillus
halodurans) 		PF03099
(BPL_LplA_LipB) 		5 ARG A  90
GLY A  94
GLY A  64
PHE A 209
ASP A  67
 None
 1.38A 4h2fA-2p5iA:
undetectable		 4h2fA-2p5iA:
19.09
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.
2ph4 ZHAOERMIATOXIN

(Protobothrops
mangshanensis) 		PF00068
(Phospholip_A2_1) 		5 ARG A  33
ASN A  28
GLY A  35
GLY A  26
ASP A  42
 None
 1.45A 4h2fA-2ph4A:
undetectable		 4h2fA-2ph4A:
11.63
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.
2yfh GLUTAMATE
DEHYDROGENASE,
NAD-SPECIFIC
GLUTAMATE
DEHYDROGENASE,
GLUTAMATE
DEHYDROGENASE

(Escherichia
coli;
[Clostridium]
symbiosum) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		5 ARG A 206
GLY A 202
ARG A 198
GLY A 195
PHE A 200
 None
 0.98A 4h2fA-2yfhA:
undetectable		 4h2fA-2yfhA:
23.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2z1a 5'-NUCLEOTIDASE

(Thermus
thermophilus) 		PF00149
(Metallophos)
PF02872
(5_nucleotid_C) 		6 ARG A 349
ASN A 378
GLY A 379
GLY A 381
GLY A 432
ASP A 487
 PO4  A5646 (-2.9A)
THM  A6510 (-3.4A)
None
THM  A6510 (-3.6A)
THM  A6510 (-3.2A)
THM  A6510 (-2.4A)
 1.12A 4h2fA-2z1aA:
45.3		 4h2fA-2z1aA:
37.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2z1a 5'-NUCLEOTIDASE

(Thermus
thermophilus) 		PF00149
(Metallophos)
PF02872
(5_nucleotid_C) 		9 ARG A 349
ASN A 378
GLY A 380
GLY A 381
ARG A 383
PHE A 402
GLY A 432
PHE A 481
ASP A 487
 PO4  A5646 (-2.9A)
THM  A6510 (-3.4A)
THM  A6510 (-4.1A)
THM  A6510 (-3.6A)
PO4  A5646 (-2.9A)
THM  A6510 (-3.7A)
THM  A6510 (-3.2A)
THM  A6510 (-3.7A)
THM  A6510 (-2.4A)
 0.57A 4h2fA-2z1aA:
45.3		 4h2fA-2z1aA:
37.68
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.
3a9s D-ARABINOSE
ISOMERASE

(Aeribacillus
pallidus) 		PF02952
(Fucose_iso_C)
PF07881
(Fucose_iso_N1)
PF07882
(Fucose_iso_N2) 		5 ARG A 256
ASN A 316
GLY A 448
GLY A 449
GLY A 447
 None
 1.15A 4h2fA-3a9sA:
undetectable		 4h2fA-3a9sA:
24.02
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.
3c9f 5'-NUCLEOTIDASE

(Candida
albicans) 		PF00149
(Metallophos) 		5 ASN A 386
GLY A 388
ARG A 391
PHE A 410
PHE A 521
 None
None
FMT  A 607 (-2.7A)
None
None
 0.86A 4h2fA-3c9fA:
14.0		 4h2fA-3c9fA:
22.24
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.
3hnp OXIDOREDUCTASE

(Bacillus cereus) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		5 GLY A 299
GLY A 270
PHE A 269
GLY A 129
ASP A 252
 None
 1.47A 4h2fA-3hnpA:
undetectable		 4h2fA-3hnpA:
21.97
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.
3hpx 2-ISOPROPYLMALATE
SYNTHASE

(Mycobacterium
tuberculosis) 		PF00682
(HMGL-like) 		5 ASN A 321
GLY A 316
GLY A 320
GLY A  82
ASP A  81
 NI  A 701 (-2.7A)
None
None
None
NI  A 701 (-2.5A)
 1.16A 4h2fA-3hpxA:
2.5		 4h2fA-3hpxA:
22.74
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.
3i08 NEUROGENIC LOCUS
NOTCH HOMOLOG
PROTEIN 1

(Homo sapiens) 		PF00066
(Notch)
PF06816
(NOD) 		5 ASN A1485
GLY A1477
GLY A1478
GLY A1474
ASP A1486
 None
None
None
None
CL  A1668 (-4.5A)
 1.48A 4h2fA-3i08A:
undetectable		 4h2fA-3i08A:
18.26
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.
3ive NUCLEOTIDASE

(Escherichia
coli) 		PF00149
(Metallophos)
PF02872
(5_nucleotid_C) 		7 ASN A 370
GLY A 372
GLY A 373
ARG A 375
PHE A 394
PHE A 466
ASP A 472
 CTN  A 603 (-3.2A)
CTN  A 603 (-3.2A)
CTN  A 603 (-3.3A)
CTN  A 603 ( 3.0A)
CTN  A 603 (-3.5A)
CTN  A 603 (-3.8A)
CTN  A 603 (-2.7A)
 0.39A 4h2fA-3iveA:
35.0		 4h2fA-3iveA:
28.37
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.
3kvn ESTERASE ESTA

(Pseudomonas
aeruginosa) 		no annotation 5 ASN X 147
GLY X 145
GLY X 146
GLY X 144
ASP X  13
 C8E  X 623 (-3.1A)
None
C8E  X 623 ( 3.7A)
None
C8E  X 623 ( 4.2A)
 1.29A 4h2fA-3kvnX:
undetectable		 4h2fA-3kvnX:
21.87
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.
3nqh GLYCOSYL HYDROLASE

(Bacteroides
thetaiotaomicron) 		PF04616
(Glyco_hydro_43) 		5 GLY A 180
GLY A 181
PHE A 220
GLY A 206
PHE A 236
 None
 1.29A 4h2fA-3nqhA:
undetectable		 4h2fA-3nqhA:
21.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rmj 2-ISOPROPYLMALATE
SYNTHASE

(Neisseria
meningitidis) 		PF00682
(HMGL-like) 		5 ASN A 240
GLY A 235
GLY A 239
GLY A  17
ASP A  16
 MN  A 365 (-2.6A)
None
None
None
MN  A 365 (-2.6A)
 1.12A 4h2fA-3rmjA:
2.3		 4h2fA-3rmjA:
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.
3t6s CERJ

(Streptomyces
tendae) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		5 ASN A 117
GLY A 325
GLY A 324
PHE A 323
GLY A 326
 None
 1.25A 4h2fA-3t6sA:
undetectable		 4h2fA-3t6sA:
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.
3u1j SERINE PROTEASE NS3

(Dengue virus) 		PF00949
(Peptidase_S7) 		5 ARG B  84
ASN B  68
GLY B  81
GLY B  80
GLY B  82
 None
 1.05A 4h2fA-3u1jB:
undetectable		 4h2fA-3u1jB:
15.90
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.
3uqe 6-PHOSPHOFRUCTOKINAS
E ISOZYME 2

(Escherichia
coli) 		PF00294
(PfkB) 		5 ASN A  43
GLY A  39
GLY A  38
GLY A  40
ASP A 256
 None
 0.70A 4h2fA-3uqeA:
undetectable		 4h2fA-3uqeA:
20.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3zu0 NAD NUCLEOTIDASE

(Haemophilus
influenzae) 		PF00149
(Metallophos)
PF02872
(5_nucleotid_C) 		8 ARG A 397
ASN A 432
GLY A 434
GLY A 435
ARG A 437
PHE A 456
GLY A 488
ASP A 546
 A12  A1598 (-3.0A)
A12  A1598 (-3.5A)
A12  A1598 (-3.4A)
A12  A1598 (-3.6A)
A12  A1598 (-2.6A)
A12  A1598 (-3.4A)
A12  A1598 (-3.4A)
A12  A1598 (-2.7A)
 0.38A 4h2fA-3zu0A:
41.2		 4h2fA-3zu0A:
30.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3zu0 NAD NUCLEOTIDASE

(Haemophilus
influenzae) 		PF00149
(Metallophos)
PF02872
(5_nucleotid_C) 		5 ASN A 432
GLY A 488
GLY A 434
ARG A 397
ASP A 546
 A12  A1598 (-3.5A)
A12  A1598 (-3.4A)
A12  A1598 (-3.4A)
A12  A1598 (-3.0A)
A12  A1598 (-2.7A)
 1.41A 4h2fA-3zu0A:
41.2		 4h2fA-3zu0A:
30.68
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.
4dal PUTATIVE ALDEHYDE
DEHYDROGENASE

(Sinorhizobium
meliloti) 		PF00171
(Aldedh) 		5 ASN A 167
GLY A 165
GLY A 166
ARG A  63
PHE A  52
 None
 1.43A 4h2fA-4dalA:
undetectable		 4h2fA-4dalA:
24.16
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.
4eex ALCOHOL
DEHYDROGENASE 1

(Lactococcus
lactis) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 ASN A 177
GLY A 174
GLY A 332
ARG A 333
GLY A 173
 None
 1.45A 4h2fA-4eexA:
undetectable		 4h2fA-4eexA:
21.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4h1s 5'-NUCLEOTIDASE

(Homo sapiens) 		PF00149
(Metallophos)
PF02872
(5_nucleotid_C) 		7 ARG A 354
ASN A 390
GLY A 391
GLY A 393
GLY A 447
PHE A 500
ASP A 506
 PO4  A 604 (-2.8A)
None
None
None
None
None
None
 1.09A 4h2fA-4h1sA:
38.8		 4h2fA-4h1sA:
94.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4h1s 5'-NUCLEOTIDASE

(Homo sapiens) 		PF00149
(Metallophos)
PF02872
(5_nucleotid_C) 		9 ARG A 354
ASN A 390
GLY A 392
GLY A 393
ARG A 395
PHE A 417
GLY A 447
PHE A 500
ASP A 506
 PO4  A 604 (-2.8A)
None
None
None
PO4  A 604 (-2.9A)
None
None
None
None
 0.35A 4h2fA-4h1sA:
38.8		 4h2fA-4h1sA:
94.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4h1s 5'-NUCLEOTIDASE

(Homo sapiens) 		PF00149
(Metallophos)
PF02872
(5_nucleotid_C) 		5 ASN A 390
GLY A 393
ARG A 395
PHE A 500
ASP A 506
 None
None
PO4  A 604 (-2.9A)
None
None
 1.29A 4h2fA-4h1sA:
38.8		 4h2fA-4h1sA:
94.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4l8k PUTATIVE PEPTIDASE

(Parabacteroides
merdae) 		PF03572
(Peptidase_S41)
PF14684
(Tricorn_C1) 		5 GLY A 265
GLY A 299
ARG A 237
GLY A 266
PHE A 298
 None
None
None
PO4  A 401 (-3.3A)
None
 1.42A 4h2fA-4l8kA:
undetectable		 4h2fA-4l8kA:
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.
4m1r CELLULASE 5

(soil metagenome) 		PF00150
(Cellulase) 		5 ASN A 225
GLY A 229
GLY A 230
GLY A 228
ASP A 227
 None
 1.13A 4h2fA-4m1rA:
1.9		 4h2fA-4m1rA:
18.53
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.
4tqo METHANOL
DEHYDROGENASE
PROTEIN, LARGE
SUBUNIT

(Methylococcus
capsulatus) 		no annotation 5 GLY B 563
GLY B 565
GLY B 559
PHE B 568
ASP B 133
 None
 1.15A 4h2fA-4tqoB:
undetectable		 4h2fA-4tqoB:
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.
4u4e THIOLASE

(Sphaerobacter
thermophilus) 		PF02803
(Thiolase_C) 		5 ASN A 319
GLY A 323
GLY A 322
GLY A 324
ASP A 280
 None
 1.48A 4h2fA-4u4eA:
undetectable		 4h2fA-4u4eA:
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.
4us4 TRANSPORTER

(Bacillus
halodurans) 		PF00209
(SNF) 		5 ASN A  31
GLY A  28
GLY A  30
PHE A 230
ASP A 263
 NA  A 702 ( 2.5A)
TRP  A 601 (-3.3A)
TRP  A 601 (-3.1A)
TRP  A 601 (-4.4A)
NA  A 702 (-2.8A)
 1.43A 4h2fA-4us4A:
undetectable		 4h2fA-4us4A:
22.70
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.
4zdm GLUTAMATE RECEPTOR
KAINATE-LIKE PROTEIN

(Pleurobrachia
bachei) 		PF10613
(Lig_chan-Glu_bd) 		5 ASN A  77
GLY A  67
GLY A  68
GLY A  78
ASP A  63
 None
 1.11A 4h2fA-4zdmA:
undetectable		 4h2fA-4zdmA:
19.49
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.
4zih APOPTOSIS REGULATOR
BAX
BCL-2-LIKE PROTEIN
11

(Homo sapiens) 		PF00452
(Bcl-2)
PF08945
(Bclx_interact) 		5 ASN A 106
GLY A 108
PHE A 100
GLY B 156
ASP B 157
 None
 1.36A 4h2fA-4zihA:
undetectable		 4h2fA-4zihA:
14.84
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.
5h3k SLR0280 PROTEIN

(Synechocystis
sp. PCC 6803) 		no annotation 5 GLY A 502
ARG A 368
PHE A 520
GLY A 341
ASP A 577
 None
 1.31A 4h2fA-5h3kA:
undetectable		 4h2fA-5h3kA:
21.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5h7w VENOM
5'-NUCLEOTIDASE

(Naja atra) 		no annotation 7 ARG A 354
ASN A 390
GLY A 391
GLY A 393
GLY A 448
PHE A 501
ASP A 507
 None
 1.10A 4h2fA-5h7wA:
54.1		 4h2fA-5h7wA:
67.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5h7w VENOM
5'-NUCLEOTIDASE

(Naja atra) 		no annotation 8 ARG A 354
ASN A 390
GLY A 392
GLY A 393
ARG A 395
GLY A 448
PHE A 501
ASP A 507
 None
 0.53A 4h2fA-5h7wA:
54.1		 4h2fA-5h7wA:
67.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5h7w VENOM
5'-NUCLEOTIDASE

(Naja atra) 		no annotation 8 ARG A 354
GLY A 392
GLY A 393
ARG A 395
PHE A 418
GLY A 448
PHE A 501
ASP A 507
 None
 0.68A 4h2fA-5h7wA:
54.1		 4h2fA-5h7wA:
67.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5h7w VENOM
5'-NUCLEOTIDASE

(Naja atra) 		no annotation 5 ASN A 390
GLY A 392
ARG A 395
PHE A 501
ASP A 507
 None
 1.23A 4h2fA-5h7wA:
54.1		 4h2fA-5h7wA:
67.54
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.
5o6k POLYPHOSPHATE:AMP
PHOSPHOTRANSFERASE

(Meiothermus
ruber) 		no annotation 5 ARG A 235
GLY A  69
GLY A  68
ARG A 178
GLY A  72
 None
PO4  A 301 (-3.4A)
PO4  A 301 (-3.8A)
None
PO4  A 304 ( 4.1A)
 1.41A 4h2fA-5o6kA:
undetectable		 4h2fA-5o6kA:
10.30
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.
5t0h 26S PROTEASOME
NON-ATPASE
REGULATORY SUBUNIT 2

(Homo sapiens) 		PF00004
(AAA) 		5 GLY f 203
PHE f 217
GLY f 200
PHE f 221
ASP f 234
 None
 1.08A 4h2fA-5t0hf:
undetectable		 4h2fA-5t0hf:
22.29
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.
5ucd NAD(P)-DEPENDENT
BENZALDEHYDE
DEHYDROGENASE

(Pseudomonas
putida) 		PF00171
(Aldedh) 		5 ASN A 138
GLY A 136
GLY A 137
ARG A  31
PHE A  20
 None
 1.41A 4h2fA-5ucdA:
undetectable		 4h2fA-5ucdA:
24.43
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.
5x7u TREHALOSE SYNTHASE

(Thermobaculum
terrenum) 		no annotation 5 GLY A  30
ARG A  19
PHE A  77
GLY A  28
ASP A  27
 MG  A 601 ( 4.5A)
None
None
None
MG  A 601 (-2.7A)
 1.27A 4h2fA-5x7uA:
undetectable		 4h2fA-5x7uA:
9.58
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.
5y31 DISINTEGRIN AND
METALLOPROTEINASE
DOMAIN-CONTAINING
PROTEIN 22

(Homo sapiens) 		no annotation 5 ASN A 377
GLY A 347
GLY A 346
PHE A 425
GLY A 354
 None
 1.34A 4h2fA-5y31A:
undetectable		 4h2fA-5y31A:
10.15
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.
5ysq TM0415

(Thermotoga
maritima) 		no annotation 5 GLY A  25
GLY A  24
PHE A  57
GLY A  26
PHE A  55
 INS  A 301 (-3.4A)
None
None
INS  A 301 (-3.8A)
None
 1.32A 4h2fA-5ysqA:
undetectable		 4h2fA-5ysqA:
9.02
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.
5z2n -

(-) 		no annotation 5 ASN B 111
GLY B 112
GLY B 114
GLY B  81
ASP B  82
 None
 1.36A 4h2fA-5z2nB:
undetectable		 4h2fA-5z2nB:
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.
6bxa VARIABLE LYMPHOCYTE
RECEPTOR 2

(Petromyzon
marinus) 		no annotation 5 ASN C 179
GLY C 184
GLY C 185
GLY C 182
PHE C 153
 None
 1.50A 4h2fA-6bxaC:
undetectable		 4h2fA-6bxaC:
9.94
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.
6cfw MBH SUBUNIT
MONOVALENT CATION/H+
ANTIPORTER SUBUNIT B

(Pyrococcus
furiosus) 		no annotation 5 GLY F  37
GLY F  38
PHE E  65
GLY F  36
ASP D  64
 None
 1.20A 4h2fA-6cfwF:
undetectable		 4h2fA-6cfwF:
12.83
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.
6fay ODZ3 PROTEIN

(Mus musculus) 		no annotation 5 GLY A2356
GLY A2357
PHE A2368
GLY A2316
PHE A2354
 None
 1.37A 4h2fA-6fayA:
undetectable		 4h2fA-6fayA:
10.47