SIMILAR PATTERNS OF AMINO ACIDS FOR 4H2G_A_ADNA603_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.
1g4u PROTEIN TYROSINE
PHOSPHATASE SPTP

(Salmonella
enterica) 		PF00102
(Y_phosphatase)
PF03545
(YopE) 		5 ARG S 516
GLY S 484
GLY S 483
PHE S 310
GLY S 347
 None
 1.46A 4h2gA-1g4uS:
undetectable		 4h2gA-1g4uS:
20.60
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.
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
 1.26A 4h2gA-1h0hA:
undetectable		 4h2gA-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) 		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)
 0.40A 4h2gA-1hp1A:
39.1		 4h2gA-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
 1.23A 4h2gA-1kqfA:
undetectable		 4h2gA-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.
1lrw METHANOL
DEHYDROGENASE
SUBUNIT 1

(Paracoccus
denitrificans) 		PF01011
(PQQ)
PF13360
(PQQ_2) 		5 GLY A 538
GLY A 542
GLY A  53
PHE A 547
ASP A 105
 None
 1.33A 4h2gA-1lrwA:
undetectable		 4h2gA-1lrwA:
22.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1mpp PEPSIN

(Rhizomucor
pusillus) 		PF00026
(Asp) 		5 ASN A 156
GLY A 162
GLY A 161
PHE A  10
GLY A 163
 None
 1.50A 4h2gA-1mppA:
undetectable		 4h2gA-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.
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
 1.01A 4h2gA-1urhA:
undetectable		 4h2gA-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.
1urh 3-MERCAPTOPYRUVATE
SULFURTRANSFERASE

(Escherichia
coli) 		PF00581
(Rhodanese) 		5 GLY A 121
GLY A 119
PHE A   5
GLY A  95
ASP A  93
 None
 1.36A 4h2gA-1urhA:
undetectable		 4h2gA-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.
1urh 3-MERCAPTOPYRUVATE
SULFURTRANSFERASE

(Escherichia
coli) 		PF00581
(Rhodanese) 		5 GLY A 210
GLY A 120
PHE A   5
GLY A  95
ASP A  93
 None
 1.42A 4h2gA-1urhA:
undetectable		 4h2gA-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
 1.13A 4h2gA-1vm7A:
undetectable		 4h2gA-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.
1w6s METHANOL
DEHYDROGENASE
SUBUNIT 1

(Methylobacterium
extorquens) 		PF01011
(PQQ)
PF13360
(PQQ_2) 		5 GLY A 538
GLY A 542
GLY A  53
PHE A 547
ASP A 105
 None
 1.36A 4h2gA-1w6sA:
undetectable		 4h2gA-1w6sA:
24.23
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.
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)
 1.27A 4h2gA-2cw6A:
2.1		 4h2gA-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 4h2gA-2d0vA:
undetectable		 4h2gA-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.
2jfe CYTOSOLIC
BETA-GLUCOSIDASE

(Homo sapiens) 		PF00232
(Glyco_hydro_1) 		5 ARG X 285
GLY X 325
PHE X 249
GLY X 187
ASP X 175
 None
 1.36A 4h2gA-2jfeX:
undetectable		 4h2gA-2jfeX:
21.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.35A 4h2gA-2p5iA:
undetectable		 4h2gA-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
 1.34A 4h2gA-2ph4A:
undetectable		 4h2gA-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.
2puz IMIDAZOLONEPROPIONAS
E

(Agrobacterium
fabrum) 		PF01979
(Amidohydro_1) 		5 ASN A  23
GLY A  74
GLY A  75
ARG A  76
ASP A  72
 None
 1.43A 4h2gA-2puzA:
undetectable		 4h2gA-2puzA:
21.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wyr COBALT-ACTIVATED
PEPTIDASE TET1

(Pyrococcus
horikoshii) 		PF05343
(Peptidase_M42) 		5 ASN A  44
GLY A 210
GLY A  43
PHE A 213
ASP A  40
 None
 1.34A 4h2gA-2wyrA:
undetectable		 4h2gA-2wyrA:
20.43
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.
2y3s TAML

(Streptomyces
sp. 307-9) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		5 ASN A 191
GLY A 188
GLY A 189
PHE A  67
GLY A 187
 None
None
FAD  A 600 (-3.2A)
FAD  A 600 (-4.9A)
None
 1.26A 4h2gA-2y3sA:
undetectable		 4h2gA-2y3sA:
21.79
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.
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
 0.93A 4h2gA-2yfhA:
undetectable		 4h2gA-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) 		7 ARG A 349
ASN A 378
GLY A 379
GLY A 381
PHE A 402
GLY A 432
ASP A 487
 PO4  A5646 (-2.9A)
THM  A6510 (-3.4A)
None
THM  A6510 (-3.6A)
THM  A6510 (-3.7A)
THM  A6510 (-3.2A)
THM  A6510 (-2.4A)
 1.15A 4h2gA-2z1aA:
45.5		 4h2gA-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)
 0.63A 4h2gA-2z1aA:
45.5		 4h2gA-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) 		5 ASN A 378
GLY A 380
ARG A 383
PHE A 402
ASP A 487
 THM  A6510 (-3.4A)
THM  A6510 (-4.1A)
PO4  A5646 (-2.9A)
THM  A6510 (-3.7A)
THM  A6510 (-2.4A)
 1.20A 4h2gA-2z1aA:
45.5		 4h2gA-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
 1.21A 4h2gA-3a9sA:
2.3		 4h2gA-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.
3g9k CAPSULE BIOSYNTHESIS
PROTEIN CAPD

(Bacillus
anthracis) 		no annotation 5 ASN S 369
GLY L  96
GLY L  97
PHE L 268
GLY L  95
 None
 1.47A 4h2gA-3g9kS:
undetectable		 4h2gA-3g9kS:
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.
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
 1.40A 4h2gA-3hnpA:
undetectable		 4h2gA-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)
 1.10A 4h2gA-3hpxA:
2.3		 4h2gA-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.
3i23 OXIDOREDUCTASE,
GFO/IDH/MOCA FAMILY

(Enterococcus
faecalis) 		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
 1.46A 4h2gA-3i23A:
undetectable		 4h2gA-3i23A:
22.40
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.
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)
 0.54A 4h2gA-3iveA:
34.8		 4h2gA-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.
3pl2 SUGAR KINASE,
RIBOKINASE FAMILY

(Corynebacterium
glutamicum) 		PF00294
(PfkB) 		5 GLY A  41
ARG A  15
PHE A 111
GLY A  40
ASP A  19
 None
 1.43A 4h2gA-3pl2A:
undetectable		 4h2gA-3pl2A:
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.
3pop GILR OXIDASE

(Streptomyces
griseoflavus) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		5 ASN A 194
GLY A 191
GLY A 192
PHE A  70
GLY A 190
 None
None
FAD  A 499 (-3.4A)
None
None
 1.23A 4h2gA-3popA:
undetectable		 4h2gA-3popA:
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.
3rft URONATE
DEHYDROGENASE

(Agrobacterium
fabrum) 		PF01370
(Epimerase) 		5 GLY A 255
GLY A 256
ARG A 174
GLY A 116
ASP A 133
 None
None
SO4  A 270 (-2.9A)
None
None
 0.98A 4h2gA-3rftA:
undetectable		 4h2gA-3rftA:
20.44
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.
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)
 1.06A 4h2gA-3rmjA:
2.6		 4h2gA-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.
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
 1.10A 4h2gA-3u1jB:
undetectable		 4h2gA-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
 0.77A 4h2gA-3uqeA:
undetectable		 4h2gA-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)
 0.45A 4h2gA-3zu0A:
41.3		 4h2gA-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 434
ARG A 437
PHE A 456
ASP A 546
 A12  A1598 (-3.5A)
A12  A1598 (-3.4A)
A12  A1598 (-2.6A)
A12  A1598 (-3.4A)
A12  A1598 (-2.7A)
 1.14A 4h2gA-3zu0A:
41.3		 4h2gA-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 4h2gA-3zu0A:
41.3		 4h2gA-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.
4bz7 HISTONE DEACETYLASE
8

(Schistosoma
mansoni) 		PF00850
(Hist_deacetyl) 		5 GLY A 340
ARG A  24
PHE A  21
GLY A 283
ASP A 186
 None
None
None
None
ZN  A 500 (-2.3A)
 1.44A 4h2gA-4bz7A:
undetectable		 4h2gA-4bz7A:
24.52
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.
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
 1.41A 4h2gA-4dalA:
undetectable		 4h2gA-4dalA:
24.16
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
 1.14A 4h2gA-4h1sA:
56.0		 4h2gA-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
 0.22A 4h2gA-4h1sA:
56.0		 4h2gA-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.
4lgn CELLULOSE-BINDING,
FAMILY II

(Acidothermus
cellulolyticus) 		no annotation 5 GLY A 125
GLY A 127
ARG A 126
PHE A  19
GLY A 263
 None
None
NA  A 828 ( 4.9A)
None
None
 1.36A 4h2gA-4lgnA:
undetectable		 4h2gA-4lgnA:
20.61
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.
4m1r CELLULASE 5

(soil metagenome) 		PF00150
(Cellulase) 		5 ASN A 225
GLY A 229
GLY A 230
GLY A 228
ASP A 227
 None
 1.08A 4h2gA-4m1rA:
2.4		 4h2gA-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.
4orb SERINE/THREONINE-PRO
TEIN PHOSPHATASE 2B
CATALYTIC SUBUNIT
ALPHA ISOFORM

(Mus musculus) 		PF00149
(Metallophos) 		5 ARG A 472
ASN A 251
ARG A 468
GLY A 255
PHE A 259
 None
 1.44A 4h2gA-4orbA:
2.3		 4h2gA-4orbA:
23.15
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.
4ova FRAGILE X MENTAL
RETARDATION PROTEIN
1

(Homo sapiens) 		PF05641
(Agenet) 		5 ASN A  12
GLY A  13
GLY A  10
ARG A   9
PHE A  15
 None
 1.42A 4h2gA-4ovaA:
undetectable		 4h2gA-4ovaA:
16.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pe5 GLUTAMATE RECEPTOR
IONOTROPIC, NMDA 2B

(Rattus
norvegicus) 		PF00060
(Lig_chan)
PF01094
(ANF_receptor)
PF10613
(Lig_chan-Glu_bd) 		5 GLY B 125
PHE B 143
GLY B 128
PHE B  99
ASP B 101
 None
 1.16A 4h2gA-4pe5B:
undetectable		 4h2gA-4pe5B:
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.
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
 1.17A 4h2gA-4tqoB:
undetectable		 4h2gA-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.
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)
 1.37A 4h2gA-4us4A:
undetectable		 4h2gA-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.
4z11 AURONE SYNTHASE

(Coreopsis
grandiflora) 		PF00264
(Tyrosinase)
PF12142
(PPO1_DWL)
PF12143
(PPO1_KFDV) 		5 GLY A 452
GLY A 451
ARG A 213
PHE A 431
ASP A 429
 None
 1.20A 4h2gA-4z11A:
undetectable		 4h2gA-4z11A:
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.
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
 1.13A 4h2gA-4zdmA:
undetectable		 4h2gA-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
 1.42A 4h2gA-4zihA:
undetectable		 4h2gA-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.
5b4x REELIN

(Mus musculus) 		PF07974
(EGF_2) 		5 ASN A2602
GLY A2603
GLY A2604
ARG A2638
GLY A2488
 None
 1.47A 4h2gA-5b4xA:
undetectable		 4h2gA-5b4xA:
20.69
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
 1.12A 4h2gA-5h7wA:
59.1		 4h2gA-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 9 ARG A 354
ASN A 390
GLY A 392
GLY A 393
ARG A 395
PHE A 418
GLY A 448
PHE A 501
ASP A 507
 None
 0.44A 4h2gA-5h7wA:
59.1		 4h2gA-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 6 ASN A 390
GLY A 393
ARG A 395
PHE A 418
PHE A 501
ASP A 507
 None
 1.26A 4h2gA-5h7wA:
59.1		 4h2gA-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.
5jwz CELLULOSE-BINDING
FAMILY II

(Streptomyces
sp. SirexAA-E) 		PF02012
(BNR) 		5 GLY A 128
GLY A 130
ARG A 129
PHE A  22
GLY A 266
 None
 1.42A 4h2gA-5jwzA:
undetectable		 4h2gA-5jwzA:
21.31
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.
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)
 1.33A 4h2gA-5o6kA:
undetectable		 4h2gA-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
 1.13A 4h2gA-5t0hf:
undetectable		 4h2gA-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.
5tpw GLUTAMATE RECEPTOR
IONOTROPIC, NMDA 2A

(Rattus
norvegicus) 		PF01094
(ANF_receptor) 		5 GLY B 126
PHE B 144
GLY B 129
PHE B 100
ASP B 102
 None
 1.21A 4h2gA-5tpwB:
undetectable		 4h2gA-5tpwB:
20.77
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.
5tpz GLUTAMATE RECEPTOR
IONOTROPIC, NMDA 2B

(Rattus
norvegicus) 		PF01094
(ANF_receptor) 		5 GLY D 125
PHE D 143
GLY D 128
PHE D  99
ASP D 101
 None
 1.10A 4h2gA-5tpzD:
2.5		 4h2gA-5tpzD:
19.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.40A 4h2gA-5ucdA:
2.3		 4h2gA-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.
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
 1.32A 4h2gA-5y31A:
undetectable		 4h2gA-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
 1.40A 4h2gA-5ysqA:
3.0		 4h2gA-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.
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
 1.25A 4h2gA-6cfwF:
undetectable		 4h2gA-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
 1.46A 4h2gA-6fayA:
undetectable		 4h2gA-6fayA:
10.47