SIMILAR PATTERNS OF AMINO ACIDS FOR 3NXU_B_RITB600

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.
1a0c XYLOSE ISOMERASE

(Thermoanaerobacterium
thermosulfurigenes) 		PF01261
(AP_endonuc_2) 		5 PHE A  97
ILE A 222
PHE A 224
ALA A 219
ALA A 141
 None
 1.19A 3nxuB-1a0cA:
0.0		 3nxuB-1a0cA:
24.31
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.
1aye PROCARBOXYPEPTIDASE
A2

(Homo sapiens) 		PF00246
(Peptidase_M14)
PF02244
(Propep_M14) 		5 PHE A  52
MET A  22
THR A  54
ALA A  66
ILE A 193
 None
 1.09A 3nxuB-1ayeA:
undetectable		 3nxuB-1ayeA:
21.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1b1y PROTEIN
(BETA-AMYLASE)

(Hordeum vulgare) 		PF01373
(Glyco_hydro_14) 		5 MET A 156
LEU A 290
ILE A 275
ILE A 294
ALA A 295
 None
 1.18A 3nxuB-1b1yA:
0.0		 3nxuB-1b1yA:
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.
1h17 FORMATE
ACETYLTRANSFERASE 1

(Escherichia
coli) 		PF01228
(Gly_radical)
PF02901
(PFL-like) 		5 LEU A 604
THR A 616
ALA A 523
ILE A 588
ALA A 487
 None
 1.18A 3nxuB-1h17A:
0.0		 3nxuB-1h17A:
20.91
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.
1iwp GLYCEROL DEHYDRATASE
ALPHA SUBUNIT

(Klebsiella
pneumoniae) 		PF02286
(Dehydratase_LU) 		5 THR A 263
ILE A  72
ALA A 108
ILE A  88
ALA A  85
 None
 1.02A 3nxuB-1iwpA:
0.0		 3nxuB-1iwpA:
20.67
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.
1jqp DIPEPTIDYL PEPTIDASE
I

(Rattus
norvegicus) 		PF00112
(Peptidase_C1)
PF08773
(CathepsinC_exc) 		5 PHE A  80
SER A 267
THR A  97
ILE A 281
ALA A 286
 None
 1.19A 3nxuB-1jqpA:
0.0		 3nxuB-1jqpA:
21.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1k3b DIPEPTYDIL-PEPTIDASE
I EXCLUSION DOMAIN
DIPEPTYDIL-PEPTIDASE
I LIGHT CHAIN

(Homo sapiens) 		PF00112
(Peptidase_C1)
PF08773
(CathepsinC_exc) 		5 PHE A  80
SER B 268
THR A  97
ILE B 282
ALA B 287
 None
 1.15A 3nxuB-1k3bA:
undetectable		 3nxuB-1k3bA:
12.18
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.
1lcy HTRA2 SERINE
PROTEASE

(Homo sapiens) 		PF13180
(PDZ_2)
PF13365
(Trypsin_2) 		5 MET A 127
LEU A 110
PHE A 208
ILE A 101
ALA A  85
 None
 1.09A 3nxuB-1lcyA:
undetectable		 3nxuB-1lcyA:
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.
1pca PROCARBOXYPEPTIDASE
A PCPA

(Sus scrofa) 		PF00246
(Peptidase_M14)
PF02244
(Propep_M14) 		5 PHE A  52
MET A  22
THR A  54
ILE A 109
ILE A 193
 None
 1.09A 3nxuB-1pcaA:
undetectable		 3nxuB-1pcaA:
21.33
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.
1tff UBIQUITIN
THIOLESTERASE
PROTEIN OTUB2

(Homo sapiens) 		PF10275
(Peptidase_C65) 		5 PHE A 102
LEU A  64
PHE A  74
ILE A 189
ILE A 227
 None
 1.14A 3nxuB-1tffA:
undetectable		 3nxuB-1tffA:
19.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1v5c CHITOSANASE

(Bacillus sp.
(in: Bacteria)) 		PF01270
(Glyco_hydro_8) 		5 MET A 214
SER A 191
ILE A 188
ILE A 144
ALA A 141
 None
 1.16A 3nxuB-1v5cA:
undetectable		 3nxuB-1v5cA:
21.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1v7v CHITOBIOSE
PHOSPHORYLASE

(Vibrio
proteolyticus) 		PF06165
(Glyco_transf_36)
PF17167
(Glyco_hydro_36) 		5 PHE A 448
MET A 440
PHE A 730
ALA A 511
ALA A 468
 None
 0.90A 3nxuB-1v7vA:
undetectable		 3nxuB-1v7vA:
20.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1w74 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
A

(Mycobacterium
tuberculosis) 		PF00160
(Pro_isomerase) 		5 PHE A 127
PHE A 107
PHE A  71
ILE A 148
ALA A  29
 None
 1.20A 3nxuB-1w74A:
undetectable		 3nxuB-1w74A:
16.29
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.
1x8v CYTOCHROME P450 51

(Mycobacterium
tuberculosis) 		PF00067
(p450) 		5 MET A 433
PHE A  78
ILE A 323
ALA A 346
ALA A 389
 ESL  A 471 (-4.7A)
ESL  A 471 ( 4.9A)
None
None
None
 1.14A 3nxuB-1x8vA:
34.5		 3nxuB-1x8vA:
25.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2avt DNA POLYMERASE III
BETA SUBUNIT

(Streptococcus
pyogenes) 		PF00712
(DNA_pol3_beta)
PF02767
(DNA_pol3_beta_2)
PF02768
(DNA_pol3_beta_3) 		5 PHE A  11
LEU A  77
PHE A  82
ILE A   2
ALA A  74
 None
 1.12A 3nxuB-2avtA:
undetectable		 3nxuB-2avtA:
23.09
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.
2boa CARBOXYPEPTIDASE A4

(Homo sapiens) 		PF00246
(Peptidase_M14)
PF02244
(Propep_M14) 		5 PHE A1052
MET A1022
THR A1054
ALA A1066
ILE A1193
 None
 1.10A 3nxuB-2boaA:
undetectable		 3nxuB-2boaA:
22.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2cbn RIBONUCLEASE Z

(Escherichia
coli) 		PF12706
(Lactamase_B_2) 		5 LEU A  89
THR A  20
ILE A 118
ILE A 126
ALA A 136
 None
 1.18A 3nxuB-2cbnA:
undetectable		 3nxuB-2cbnA:
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.
2d5i AZO REDUCTASE

(Escherichia
coli) 		PF02525
(Flavodoxin_2) 		5 LEU A   4
ILE A  91
ALA A 134
ILE A 197
ALA A 193
 None
 1.20A 3nxuB-2d5iA:
undetectable		 3nxuB-2d5iA:
18.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2dkh 3-HYDROXYBENZOATE
HYDROXYLASE

(Comamonas
testosteroni) 		PF01494
(FAD_binding_3)
PF07976
(Phe_hydrox_dim) 		5 PHE A 370
PHE A  90
ALA A  91
ILE A  77
ALA A  78
 None
 1.10A 3nxuB-2dkhA:
undetectable		 3nxuB-2dkhA:
21.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2dkj SERINE
HYDROXYMETHYLTRANSFE
RASE

(Thermus
thermophilus) 		PF00464
(SHMT) 		5 PHE A 314
MET A 374
THR A 306
ILE A 364
ALA A 363
 None
 1.08A 3nxuB-2dkjA:
undetectable		 3nxuB-2dkjA:
21.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2e9q 11S GLOBULIN SUBUNIT
BETA

(Cucurbita
maxima) 		PF00190
(Cupin_1) 		5 SER A  81
LEU A 322
PHE A 131
ILE A 100
ALA A  99
 None
 0.94A 3nxuB-2e9qA:
undetectable		 3nxuB-2e9qA:
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.
2h4t CARNITINE
O-PALMITOYLTRANSFERA
SE II, MITOCHONDRIAL

(Rattus
norvegicus) 		PF00755
(Carn_acyltransf) 		5 LEU A 587
PHE A 134
PHE A 471
ALA A 470
ILE A 621
 None
 1.08A 3nxuB-2h4tA:
undetectable		 3nxuB-2h4tA:
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.
2ho5 OXIDOREDUCTASE,
GFO/IDH/MOCA FAMILY

(Streptococcus
pneumoniae) 		PF01408
(GFO_IDH_MocA) 		5 PHE A  63
LEU A  55
PHE A  58
ILE A  68
ALA A  79
 None
 1.14A 3nxuB-2ho5A:
undetectable		 3nxuB-2ho5A:
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.
2iwz 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE

(Homo sapiens) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 THR A 383
PHE A 267
ILE A 363
ALA A 362
ALA A 452
 None
 1.09A 3nxuB-2iwzA:
undetectable		 3nxuB-2iwzA:
22.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2lgh UNCHARACTERIZED
PROTEIN

(Aeromonas
hydrophila) 		PF08327
(AHSA1) 		5 PHE A  81
THR A  71
ILE A 124
ILE A   3
ALA A 108
 None
 1.16A 3nxuB-2lghA:
undetectable		 3nxuB-2lghA:
14.17
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.
2mf4 HYBRID POLYKETIDE
SYNTHASE-NON
RIBOSOMAL PEPTIDE
SYNTHETASE

(Streptomyces
virginiae) 		PF00550
(PP-binding) 		5 PHE A6763
LEU A6745
THR A6765
PHE A6776
ILE A6806
 None
 1.01A 3nxuB-2mf4A:
undetectable		 3nxuB-2mf4A:
11.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pg8 DPGC

(Streptomyces
toyocaensis) 		PF00378
(ECH_1) 		5 PHE A 412
ILE A 324
ALA A 319
ILE A 294
ALA A 233
 None
OXY  A   3 (-3.9A)
OXY  A   3 (-3.2A)
YE1  A 997 ( 4.4A)
YE1  A 997 (-3.9A)
 0.92A 3nxuB-2pg8A:
undetectable		 3nxuB-2pg8A:
20.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qv5 UNCHARACTERIZED
PROTEIN ATU2773

(Agrobacterium
fabrum) 		PF04748
(Polysacc_deac_2) 		5 SER A 376
LEU A 204
ILE A 372
ALA A 362
ALA A 358
 None
 1.15A 3nxuB-2qv5A:
undetectable		 3nxuB-2qv5A:
22.54
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.
2qyg RIBULOSE
BISPHOSPHATE
CARBOXYLASE-LIKE
PROTEIN 2

(Rhodopseudomonas
palustris) 		PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N) 		5 PHE A 316
THR A 308
ILE A 239
ALA A 237
ILE A 196
 None
 1.12A 3nxuB-2qygA:
undetectable		 3nxuB-2qygA:
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.
2vn7 GLUCOAMYLASE

(Trichoderma
reesei) 		PF00686
(CBM_20)
PF00723
(Glyco_hydro_15) 		5 LEU A 177
PHE A 109
PHE A 187
ILE A 133
ALA A 132
 None
 1.18A 3nxuB-2vn7A:
undetectable		 3nxuB-2vn7A:
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.
2wpg AMYLOSUCRASE OR
ALPHA AMYLASE

(Xanthomonas
campestris) 		PF00128
(Alpha-amylase)
PF11941
(DUF3459) 		6 PHE A 278
LEU A  75
PHE A  87
ALA A  68
ILE A 313
ALA A 309
 None
 1.45A 3nxuB-2wpgA:
undetectable		 3nxuB-2wpgA:
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.
2xdq LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT N

(Thermosynechococcus
elongatus) 		PF00148
(Oxidored_nitro) 		5 PHE A 251
LEU A 205
THR A 149
ILE A 426
ALA A 424
 None
 1.12A 3nxuB-2xdqA:
undetectable		 3nxuB-2xdqA:
21.11
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.
2yij PHOSPHOLIPASE
A1-IIGAMMA

(Arabidopsis
thaliana) 		PF01764
(Lipase_3) 		5 PHE A 282
THR A 247
PHE A 113
ILE A 304
ALA A 273
 None
 1.15A 3nxuB-2yijA:
undetectable		 3nxuB-2yijA:
20.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3aag GENERAL
GLYCOSYLATION
PATHWAY PROTEIN

(Campylobacter
jejuni) 		PF02516
(STT3) 		5 PHE A 550
MET A 529
LEU A 542
PHE A 541
ALA A 490
 MLY  A 551 ( 4.1A)
None
None
None
None
 1.00A 3nxuB-3aagA:
undetectable		 3nxuB-3aagA:
21.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3akk CTKA

(Helicobacter
pylori) 		PF07804
(HipA_C) 		5 PHE A 145
PHE A 140
ILE A 282
ILE A  63
ALA A  60
 None
 1.03A 3nxuB-3akkA:
undetectable		 3nxuB-3akkA:
23.31
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.
3c4a PROBABLE TRYPTOPHAN
HYDROXYLASE VIOD

(Chromobacterium
violaceum) 		no annotation 5 LEU A  77
PHE A 345
ILE A 188
ILE A 278
ALA A 324
 None
 1.11A 3nxuB-3c4aA:
undetectable		 3nxuB-3c4aA:
21.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cze SUCROSE HYDROLASE

(Xanthomonas
citri) 		PF00128
(Alpha-amylase) 		5 PHE A 277
LEU A  74
ALA A  67
ILE A 312
ALA A 308
 None
 1.19A 3nxuB-3czeA:
undetectable		 3nxuB-3czeA:
20.15
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.
3d1n POU DOMAIN, CLASS 6,
TRANSCRIPTION FACTOR
1

(Homo sapiens) 		PF00046
(Homeobox)
PF00157
(Pou) 		5 ILE I 147
PHE I 150
ALA I 151
ILE I 185
ALA I 184
 None
 1.11A 3nxuB-3d1nI:
undetectable		 3nxuB-3d1nI:
14.82
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.
3git CARBON MONOXIDE
DEHYDROGENASE/ACETYL
-COA SYNTHASE
SUBUNIT ALPHA

(Moorella
thermoacetica) 		PF03598
(CdhC) 		5 SER A 594
PHE A 677
PHE A 628
ILE A 635
ILE A 658
 None
 1.04A 3nxuB-3gitA:
undetectable		 3nxuB-3gitA:
20.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3l3f PROTEIN DOA1

(Saccharomyces
cerevisiae) 		PF08324
(PUL)
PF09070
(PFU) 		5 LEU X 576
THR X 634
ILE X 603
ILE X 620
ALA X 666
 None
 1.18A 3nxuB-3l3fX:
undetectable		 3nxuB-3l3fX:
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.
3ne5 CATION EFFLUX SYSTEM
PROTEIN CUSA

(Escherichia
coli) 		PF00873
(ACR_tran) 		5 LEU A 474
PHE A 378
THR A  34
ILE A 565
ILE A 998
 None
 1.19A 3nxuB-3ne5A:
2.5		 3nxuB-3ne5A:
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.
3pdf DIPEPTIDYL PEPTIDASE
1

(Homo sapiens) 		PF00112
(Peptidase_C1)
PF08773
(CathepsinC_exc) 		5 PHE A  80
SER A 268
THR A  97
ILE A 282
ALA A 287
 None
 1.18A 3nxuB-3pdfA:
undetectable		 3nxuB-3pdfA:
22.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3t6c PUTATIVE MAND FAMILY
DEHYDRATASE

(Pantoea
ananatis) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 THR A 128
ILE A 228
ALA A 233
ILE A 271
ALA A 272
 None
 1.12A 3nxuB-3t6cA:
undetectable		 3nxuB-3t6cA:
22.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vzi CRISPR-ASSOCIATED
PROTEIN CAS5, DVULG
SUBTYPE

(Xanthomonas
oryzae) 		PF09704
(Cas_Cas5d) 		5 PHE A 120
THR A 123
ALA A 143
ILE A  39
ALA A  36
 None
 1.15A 3nxuB-3vziA:
undetectable		 3nxuB-3vziA:
19.46
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.
4c41 CORTICOSTEROID-BINDI
NG GLOBULIN

(Homo sapiens) 		PF00079
(Serpin) 		5 PHE A 366
PHE A  94
THR A 370
PHE A  26
ILE A 362
 None
 1.17A 3nxuB-4c41A:
undetectable		 3nxuB-4c41A:
21.67
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.
4c4a PROTEIN ARGININE
N-METHYLTRANSFERASE
7

(Mus musculus) 		PF06325
(PrmA) 		5 PHE A 112
LEU A  77
PHE A 540
ILE A 140
ALA A  66
 None
SAH  A1689 ( 4.5A)
None
None
None
 1.18A 3nxuB-4c4aA:
undetectable		 3nxuB-4c4aA:
22.07
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.
4g2t SSFS6

(Streptomyces
sp. SF2575) 		PF00201
(UDPGT)
PF06722
(DUF1205) 		5 LEU A 169
ILE A 130
ALA A 125
ILE A   6
ALA A  34
 None
 1.12A 3nxuB-4g2tA:
undetectable		 3nxuB-4g2tA:
22.27
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.
4gl8 OLIGOPEPTIDE ABC
TRANSPORTER OPPAIV

(Borreliella
burgdorferi) 		PF00496
(SBP_bac_5) 		5 MET A 177
LEU A 167
PHE A 174
ILE A 133
ALA A 140
 None
 1.07A 3nxuB-4gl8A:
undetectable		 3nxuB-4gl8A:
22.28
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.
4grh AMINODEOXYCHORISMATE
SYNTHASE

(Stenotrophomonas
maltophilia) 		PF00425
(Chorismate_bind)
PF04715
(Anth_synt_I_N) 		5 LEU A 407
THR A  34
PHE A 393
ALA A 411
ALA A 236
 None
 1.17A 3nxuB-4grhA:
undetectable		 3nxuB-4grhA:
20.83
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.
4h63 MEDIATOR OF RNA
POLYMERASE II
TRANSCRIPTION
SUBUNIT 11
MEDIATOR OF RNA
POLYMERASE II
TRANSCRIPTION
SUBUNIT 17
MEDIATOR OF RNA
POLYMERASE II
TRANSCRIPTION
SUBUNIT 22

(Schizosaccharomyces
pombe) 		PF06179
(Med22)
PF10156
(Med17)
no annotation 		5 SER Q 183
ILE V  56
ALA V  39
ILE K  45
ALA K  44
 None
 1.16A 3nxuB-4h63Q:
undetectable		 3nxuB-4h63Q:
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.
4hrt GLOBIN-2 A CHAIN

(Scapharca
inaequivalvis) 		PF00042
(Globin) 		5 THR A 121
PHE A  97
ALA A  98
ILE A 106
ALA A 110
 None
HEM  A 201 (-4.4A)
None
HEM  A 201 (-4.4A)
HEM  A 201 ( 4.8A)
 1.13A 3nxuB-4hrtA:
undetectable		 3nxuB-4hrtA:
15.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ij4 CHITINASE A

(Gemmabryum
coronatum) 		PF00182
(Glyco_hydro_19) 		5 SER A  62
PHE A  12
ILE A  58
ALA A 136
ALA A 126
 None
 1.01A 3nxuB-4ij4A:
undetectable		 3nxuB-4ij4A:
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.
4js5 EXODEOXYRIBONUCLEASE
I

(Escherichia
coli) 		PF00929
(RNase_T)
PF08411
(Exonuc_X-T_C) 		5 PHE A 236
LEU A 309
PHE A 164
ALA A 312
ALA A 320
 None
 1.10A 3nxuB-4js5A:
undetectable		 3nxuB-4js5A:
21.13
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.
4js5 EXODEOXYRIBONUCLEASE
I

(Escherichia
coli) 		PF00929
(RNase_T)
PF08411
(Exonuc_X-T_C) 		5 PHE A 236
MET A 261
LEU A 309
PHE A 164
ALA A 312
 None
 0.89A 3nxuB-4js5A:
undetectable		 3nxuB-4js5A:
21.13
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.
4kvl FATTY ACID
ALPHA-OXIDASE

(Oryza sativa) 		PF03098
(An_peroxidase) 		5 PHE A 379
PHE A 272
ILE A 593
ALA A 433
ILE A 146
 PLM  A 702 ( 4.7A)
None
None
None
None
 1.10A 3nxuB-4kvlA:
undetectable		 3nxuB-4kvlA:
21.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4lj2 CHORISMATE SYNTHASE

(Acinetobacter
baumannii) 		PF01264
(Chorismate_synt) 		5 LEU A 340
ILE A 230
ALA A 233
ILE A 331
ALA A 328
 None
 1.16A 3nxuB-4lj2A:
undetectable		 3nxuB-4lj2A:
21.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ny4 CYTOCHROME P450 3A4

(Homo sapiens) 		PF00067
(p450) 		7 MET A 114
SER A 119
LEU A 210
ILE A 301
ALA A 305
ILE A 369
ALA A 370
 None
2QH  A 602 (-3.9A)
None
None
2QH  A 602 ( 3.6A)
HEM  A 601 (-4.7A)
2QH  A 602 ( 3.1A)
 1.04A 3nxuB-4ny4A:
53.1		 3nxuB-4ny4A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ny4 CYTOCHROME P450 3A4

(Homo sapiens) 		PF00067
(p450) 		8 PHE A 108
MET A 114
SER A 119
PHE A 241
ILE A 301
ALA A 305
ILE A 369
ALA A 370
 2QH  A 602 (-4.4A)
None
2QH  A 602 (-3.9A)
2QH  A 602 (-4.5A)
None
2QH  A 602 ( 3.6A)
HEM  A 601 (-4.7A)
2QH  A 602 ( 3.1A)
 0.81A 3nxuB-4ny4A:
53.1		 3nxuB-4ny4A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ny4 CYTOCHROME P450 3A4

(Homo sapiens) 		PF00067
(p450) 		8 PHE A 108
MET A 114
SER A 119
THR A 224
ILE A 301
ALA A 305
ILE A 369
ALA A 370
 2QH  A 602 (-4.4A)
None
2QH  A 602 (-3.9A)
None
None
2QH  A 602 ( 3.6A)
HEM  A 601 (-4.7A)
2QH  A 602 ( 3.1A)
 0.83A 3nxuB-4ny4A:
53.1		 3nxuB-4ny4A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ny4 CYTOCHROME P450 3A4

(Homo sapiens) 		PF00067
(p450) 		6 PHE A 108
SER A 119
THR A 224
ILE A 301
PHE A 304
ALA A 305
 2QH  A 602 (-4.4A)
2QH  A 602 (-3.9A)
None
None
2QH  A 602 (-3.3A)
2QH  A 602 ( 3.6A)
 1.32A 3nxuB-4ny4A:
53.1		 3nxuB-4ny4A:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4oem DIPEPTIDYL PEPTIDASE
1 HEAVY CHAIN

(Homo sapiens) 		PF00112
(Peptidase_C1)
PF08773
(CathepsinC_exc) 		5 PHE A  80
SER A 268
THR A  97
ILE A 282
ALA A 287
 None
EDO  A 509 (-4.1A)
None
None
None
 1.17A 3nxuB-4oemA:
undetectable		 3nxuB-4oemA:
20.83
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.
4r4g PUTATIVE LIPOPROTEIN
YCDA

(Bacillus
subtilis) 		PF11611
(DUF4352)
PF17118
(DUF5105) 		5 PHE A 187
LEU A 347
PHE A 351
ALA A 175
ILE A 197
 None
 1.05A 3nxuB-4r4gA:
undetectable		 3nxuB-4r4gA:
19.84
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.
4tw0 SCAVENGER RECEPTOR
CLASS B MEMBER 2

(Homo sapiens) 		PF01130
(CD36) 		5 LEU A 324
PHE A  67
PHE A 273
ILE A 301
ALA A 303
 None
 0.96A 3nxuB-4tw0A:
undetectable		 3nxuB-4tw0A:
23.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4w6v DI-/TRIPEPTIDE
TRANSPORTER

(Yersinia
enterocolitica) 		PF00854
(PTR2) 		5 PHE A 186
MET A  45
PHE A 118
PHE A  68
ALA A  69
 None
 0.83A 3nxuB-4w6vA:
undetectable		 3nxuB-4w6vA:
22.86
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.
4wy5 ESTERASE

(Rhizomucor
miehei) 		PF07859
(Abhydrolase_3) 		5 LEU A 106
PHE A  85
ILE A 295
ILE A  46
ALA A  44
 None
 1.02A 3nxuB-4wy5A:
undetectable		 3nxuB-4wy5A:
19.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xky DIHYDRODIPICOLINATE
SYNTHASE

(Bacteroides
thetaiotaomicron) 		PF00701
(DHDPS) 		5 MET A 188
THR A  47
ILE A 151
ALA A 147
ALA A 112
 None
 1.09A 3nxuB-4xkyA:
undetectable		 3nxuB-4xkyA:
20.68
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.
4yg7 SERINE/THREONINE-PRO
TEIN KINASE HIPA

(Escherichia
coli) 		PF07804
(HipA_C)
PF13657
(Couple_hipA) 		5 PHE D 315
PHE D 236
THR D 328
ALA D 336
ALA D 154
 None
 1.19A 3nxuB-4yg7D:
undetectable		 3nxuB-4yg7D:
23.03
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.
4zda ISOCITRATE
DEHYDROGENASE (NADP)
ICD2

(Mycolicibacterium
smegmatis) 		PF03971
(IDH) 		5 SER A 616
LEU A  25
ILE A   8
ALA A  32
ALA A 635
 None
 1.15A 3nxuB-4zdaA:
undetectable		 3nxuB-4zdaA:
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.
5a4p UBIQUITIN-CONJUGATIN
G ENZYME E2 Z

(Homo sapiens) 		PF00179
(UQ_con) 		5 LEU A 167
PHE A 181
ILE A 135
ALA A 133
ILE A 206
 None
 1.04A 3nxuB-5a4pA:
undetectable		 3nxuB-5a4pA:
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.
5a4p UBIQUITIN-CONJUGATIN
G ENZYME E2 Z

(Homo sapiens) 		PF00179
(UQ_con) 		5 MET A 217
LEU A 167
PHE A 181
ILE A 135
ALA A 133
 None
 0.73A 3nxuB-5a4pA:
undetectable		 3nxuB-5a4pA:
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.
5a4p UBIQUITIN-CONJUGATIN
G ENZYME E2 Z

(Homo sapiens) 		PF00179
(UQ_con) 		5 MET A 217
LEU A 167
PHE A 181
ILE A 135
ILE A 131
 None
 0.91A 3nxuB-5a4pA:
undetectable		 3nxuB-5a4pA:
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.
5cm6 TRAP DICARBOXYLATE
TRANSPORTER-DCTP
SUBUNIT

(Pseudoalteromonas
atlantica) 		PF03480
(DctP) 		5 MET A  50
THR A 149
PHE A 242
ILE A  66
ALA A 195
 None
 1.11A 3nxuB-5cm6A:
undetectable		 3nxuB-5cm6A:
20.52
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.
5cm6 TRAP DICARBOXYLATE
TRANSPORTER-DCTP
SUBUNIT

(Pseudoalteromonas
atlantica) 		PF03480
(DctP) 		5 MET A  50
THR A 238
PHE A 242
ILE A  66
ALA A 195
 None
PYR  A 401 (-3.8A)
None
None
None
 1.15A 3nxuB-5cm6A:
undetectable		 3nxuB-5cm6A:
20.52
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.
5djw ALPHA-GLUCOSIDASE II

(Bacteroides
thetaiotaomicron) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2)
PF17137
(DUF5110) 		5 LEU A 490
PHE A 494
ILE A 537
ILE A 482
ALA A 479
 None
 1.11A 3nxuB-5djwA:
undetectable		 3nxuB-5djwA:
21.71
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.
5dlk TQAA

(Penicillium
aethiopicum) 		PF00668
(Condensation) 		5 LEU A 296
THR A 356
PHE A 307
ILE A 457
ILE A 475
 None
 0.94A 3nxuB-5dlkA:
undetectable		 3nxuB-5dlkA:
21.30
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.
5fyj GP120 ENV ECTODOMAIN

(Human
immunodeficiency
virus 1) 		PF00516
(GP120) 		5 PHE G 176
PHE G 159
PHE G 309
ALA G 316
ALA G 204
 None
 1.06A 3nxuB-5fyjG:
undetectable		 3nxuB-5fyjG:
19.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5h42 UNCHARACTERIZED
PROTEIN

(Lachnoclostridium
phytofermentans) 		PF17167
(Glyco_hydro_36) 		5 LEU A 890
ILE A 918
ALA A 895
ILE A 904
ALA A 765
 None
 1.16A 3nxuB-5h42A:
undetectable		 3nxuB-5h42A:
18.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jbh 30S RIBOSOMAL
PROTEIN US7

(Pyrococcus
abyssi) 		PF00177
(Ribosomal_S7) 		5 ILE H 111
PHE H 108
ALA H 107
ILE H  71
ALA H 166
 None
 1.03A 3nxuB-5jbhH:
undetectable		 3nxuB-5jbhH:
18.67
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.
5jjp NONRIBOSOMAL PEPTIDE
SYNTHASE

(Streptomyces
sp. MJ635-86F5) 		PF00501
(AMP-binding) 		5 PHE A  89
PHE A  95
ALA A  77
ILE A  32
ALA A  31
 None
 1.19A 3nxuB-5jjpA:
undetectable		 3nxuB-5jjpA:
21.90
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.
5lc5 NADH DEHYDROGENASE
[UBIQUINONE]
IRON-SULFUR PROTEIN
2, MITOCHONDRIAL
NADH DEHYDROGENASE
[UBIQUINONE]
IRON-SULFUR PROTEIN
7, MITOCHONDRIAL

(Bos taurus) 		PF00346
(Complex1_49kDa)
PF01058
(Oxidored_q6) 		5 MET D 164
PHE D 178
PHE D 168
ILE B  87
ALA B  89
 None
 1.19A 3nxuB-5lc5D:
undetectable		 3nxuB-5lc5D:
23.27
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.
5m1q PHAGE TERMINASE
LARGE SUBUNIT

(Thermus phage
G20c) 		PF17289
(Terminase_6C) 		5 ILE A 291
PHE A 304
ALA A 293
ILE A 355
ALA A 356
 None
 1.09A 3nxuB-5m1qA:
undetectable		 3nxuB-5m1qA:
17.23
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.
5mmh HTH-TYPE
TRANSCRIPTIONAL
ACTIVATOR AMPR

(Pseudomonas
aeruginosa) 		PF03466
(LysR_substrate) 		5 MET A 241
SER A 221
THR A 257
PHE A 147
ALA A 194
 None
 1.19A 3nxuB-5mmhA:
undetectable		 3nxuB-5mmhA:
20.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nv3 RIBULOSE
BISPHOSPHATE
CARBOXYLASE LARGE
CHAIN

(Rhodobacter
sphaeroides) 		PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N) 		5 THR A  65
PHE A  42
ILE A 310
ILE A 115
ALA A 116
 None
 1.20A 3nxuB-5nv3A:
undetectable		 3nxuB-5nv3A:
20.19
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.
5ofk GLYCOSIDE HYDROLASE
FAMILY 48

(Caldicellulosiruptor
bescii) 		PF00331
(Glyco_hydro_10) 		5 THR A  44
ILE A 242
PHE A 236
ILE A 142
ALA A 141
 None
 1.18A 3nxuB-5ofkA:
undetectable		 3nxuB-5ofkA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5okl AFAMIN

(Homo sapiens) 		no annotation 5 LEU A 388
PHE A 447
ALA A 448
ILE A 346
ALA A 220
 None
 1.06A 3nxuB-5oklA:
undetectable		 3nxuB-5oklA:
10.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5olj DIPEPTIDYL PEPTIDASE
IV

(Porphyromonas
gingivalis) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		5 LEU A 600
THR A 546
ILE A 614
ALA A 612
ILE A 587
 None
 1.08A 3nxuB-5oljA:
undetectable		 3nxuB-5oljA:
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.
5swj PROBABLE ATP
SYNTHASE SPAL/MXIB

(Shigella
flexneri) 		PF00006
(ATP-synt_ab) 		5 LEU A  91
ILE A 229
ALA A 232
ILE A 298
ALA A 300
 None
 0.91A 3nxuB-5swjA:
undetectable		 3nxuB-5swjA:
21.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5veu CYTOCHROME P450 3A5

(Homo sapiens) 		no annotation 5 MET A 114
PHE A 215
PHE A 241
PHE A 304
ALA A 305
 None
RIT  A 602 (-4.0A)
RIT  A 602 (-3.9A)
RIT  A 602 (-3.7A)
HEM  A 601 (-3.4A)
 0.77A 3nxuB-5veuA:
48.9		 3nxuB-5veuA:
83.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5veu CYTOCHROME P450 3A5

(Homo sapiens) 		no annotation 5 MET A 114
SER A 119
ILE A 301
ALA A 305
ALA A 370
 None
RIT  A 602 (-3.7A)
RIT  A 602 ( 4.9A)
HEM  A 601 (-3.4A)
RIT  A 602 (-3.3A)
 0.73A 3nxuB-5veuA:
48.9		 3nxuB-5veuA:
83.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5veu CYTOCHROME P450 3A5

(Homo sapiens) 		no annotation 6 MET A 114
SER A 119
PHE A 241
ILE A 301
PHE A 304
ALA A 305
 None
RIT  A 602 (-3.7A)
RIT  A 602 (-3.9A)
RIT  A 602 ( 4.9A)
RIT  A 602 (-3.7A)
HEM  A 601 (-3.4A)
 0.41A 3nxuB-5veuA:
48.9		 3nxuB-5veuA:
83.33
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.
5x9r CITRATE-SODIUM
SYMPORTER

(Klebsiella
pneumoniae) 		PF03390
(2HCT) 		5 PHE A  87
THR A 349
ALA A 122
ILE A 420
ALA A 423
 None
 1.14A 3nxuB-5x9rA:
undetectable		 3nxuB-5x9rA:
21.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xn8 GLYCEROL
DEHYDROGENASE

(unidentified) 		PF00465
(Fe-ADH) 		5 SER A 288
ILE A 293
ALA A 355
ILE A 256
ALA A 252
 None
 1.18A 3nxuB-5xn8A:
undetectable		 3nxuB-5xn8A:
20.37
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.
5y9d ACYL-COENZYME A
OXIDASE 1

(Yarrowia
lipolytica) 		no annotation 5 PHE A 542
PHE A 506
PHE A 579
ALA A 346
ILE A 411
 None
 1.11A 3nxuB-5y9dA:
undetectable		 3nxuB-5y9dA:
8.90
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.
6cfw MBH SUBUNIT
MBH13 NADH
DEHYDROGENASE
SUBUNIT

(Pyrococcus
furiosus) 		no annotation 5 LEU I  18
THR M  86
PHE I  14
ALA M  71
ILE M 230
 None
 0.99A 3nxuB-6cfwI:
undetectable		 3nxuB-6cfwI:
11.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6cfw MONOVALENT CATION/H+
ANTIPORTER SUBUNIT F
MONOVALENT CATION/H+
ANTIPORTER SUBUNIT G

(Pyrococcus
furiosus) 		no annotation 5 SER C  22
THR B  72
ILE B  16
ILE B  44
ALA B  43
 None
 1.15A 3nxuB-6cfwC:
undetectable		 3nxuB-6cfwC:
11.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6e29 -

(-) 		no annotation 5 LEU D 229
PHE D 241
ILE D 217
ALA D 189
ILE D 206
 None
 1.12A 3nxuB-6e29D:
undetectable		 3nxuB-6e29D:
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.
6et7 DIGUANYLATE CYCLASE
(GGDEF)
DOMAIN-CONTAINING
PROTEIN

(Idiomarina sp.
A28L) 		no annotation 5 SER A 592
ILE A 534
PHE A 535
ILE A 612
ALA A 613
 None
 1.08A 3nxuB-6et7A:
undetectable		 3nxuB-6et7A:
10.37
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.
6eu6 AMMONIUM TRANSPORTER

(Candidatus
Kuenenia
stuttgartiensis) 		no annotation 5 PHE A 223
THR A 106
ILE A 310
ALA A 306
ILE A 332
 None
 1.12A 3nxuB-6eu6A:
undetectable		 3nxuB-6eu6A:
9.85
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.
6g2j NADH-UBIQUINONE
OXIDOREDUCTASE CHAIN
4

(Mus musculus) 		no annotation 5 PHE M 149
LEU M 238
ILE M 230
ALA M 233
ALA M 287
 None
 1.08A 3nxuB-6g2jM:
undetectable		 3nxuB-6g2jM:
10.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6g3u -

(-) 		no annotation 5 SER A 613
LEU A  24
ILE A   7
ALA A  31
ALA A 632
 None
 1.04A 3nxuB-6g3uA:
undetectable		 3nxuB-6g3uA:
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.
1dkg MOLECULAR CHAPERONE
DNAK

(Escherichia
coli) 		PF00012
(HSP70) 		5 ILE D 202
LEU D 227
PHE D 232
THR D  11
GLY D 229
 None
 1.45A 3nxuB-1dkgD:
0.0		 3nxuB-1dkgD:
23.46
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.
1gaj HIGH-AFFINITY
BRANCHED CHAIN AMINO
ACID TRANSPORT
ATP-BINDING PROTEIN

(Methanocaldococcus
jannaschii) 		PF00005
(ABC_tran) 		5 ILE A 175
THR A  90
ARG A 212
GLU A 210
GLY A 157
 None
None
CL  A 700 (-4.9A)
None
None
 1.46A 3nxuB-1gajA:
0.0		 3nxuB-1gajA:
20.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1gqj ALPHA-D-GLUCURONIDAS
E

(Cellvibrio
japonicus) 		PF03648
(Glyco_hydro_67N)
PF07477
(Glyco_hydro_67C)
PF07488
(Glyco_hydro_67M) 		5 ILE A 207
LEU A 286
PHE A 323
ARG A 155
LEU A 200
 None
 1.46A 3nxuB-1gqjA:
undetectable		 3nxuB-1gqjA:
21.22
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.
1io3 CYTOCHROME C2

(Blastochloris
viridis) 		PF00034
(Cytochrom_C) 		5 ARG A  64
ILE A  67
LEU A  34
GLU A  61
GLY A  36
 None
None
HEM  A 108 ( 4.8A)
None
None
 1.03A 3nxuB-1io3A:
undetectable		 3nxuB-1io3A:
13.74
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.
1jg3 PROTEIN-L-ISOASPARTA
TE
O-METHYLTRANSFERASE

(Pyrococcus
furiosus) 		PF01135
(PCMT) 		5 ILE A  86
PHE A 218
LEU A  96
GLU A  97
GLY A 167
 None
 1.24A 3nxuB-1jg3A:
0.0		 3nxuB-1jg3A:
18.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ka0 HALOTOLERANCE
PROTEIN HAL2

(Saccharomyces
cerevisiae) 		PF00459
(Inositol_P) 		5 ILE A  37
LEU A 151
THR A  21
LEU A 141
GLY A 146
 None
None
None
None
AMP  A 401 ( 4.1A)
 1.49A 3nxuB-1ka0A:
0.0		 3nxuB-1ka0A:
22.65
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.
1n21 (+)-BORNYL
DIPHOSPHATE SYNTHASE

(Salvia
officinalis) 		PF01397
(Terpene_synth)
PF03936
(Terpene_synth_C) 		5 LEU A 592
THR A 585
ARG A 566
LEU A 247
GLY A 326
 None
 1.33A 3nxuB-1n21A:
0.0		 3nxuB-1n21A:
20.88
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.
1ni5 PUTATIVE CELL CYCLE
PROTEIN MESJ

(Escherichia
coli) 		PF01171
(ATP_bind_3)
PF09179
(TilS)
PF11734
(TilS_C) 		5 ARG A 187
ILE A  89
THR A 113
ARG A 160
GLY A  22
 None
 1.29A 3nxuB-1ni5A:
0.0		 3nxuB-1ni5A:
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.
1oa1 HYDROXYLAMINE
REDUCTASE

(Desulfovibrio
vulgaris) 		PF03063
(Prismane) 		5 ILE A  41
THR A  69
ARG A 148
LEU A 151
GLY A 135
 None
 1.46A 3nxuB-1oa1A:
0.0		 3nxuB-1oa1A:
21.60
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.
1p4a PUR OPERON REPRESSOR

(Bacillus
subtilis) 		PF00156
(Pribosyltran)
PF09182
(PuR_N) 		5 ILE A  24
LEU A  59
PHE A  51
LEU A 152
GLY A  57
 None
 1.14A 3nxuB-1p4aA:
0.0		 3nxuB-1p4aA:
20.82
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.
1qlb FUMARATE REDUCTASE
FLAVOPROTEIN SUBUNIT

(Wolinella
succinogenes) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C) 		5 LEU A 385
THR A 237
LEU A 578
GLU A 579
GLY A 244
 None
 1.24A 3nxuB-1qlbA:
undetectable		 3nxuB-1qlbA:
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.
1s4d UROPORPHYRIN-III
C-METHYLTRANSFERASE

(Pseudomonas
denitrificans
(nomen
rejiciendum)) 		PF00590
(TP_methylase) 		5 ARG A 124
ILE A 125
LEU A 116
ARG A  94
GLY A  15
 None
 1.49A 3nxuB-1s4dA:
undetectable		 3nxuB-1s4dA:
21.37
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.
1sj7 TALIN 1

(Mus musculus) 		PF09141
(Talin_middle) 		5 ILE A 543
LEU A 584
THR A 554
GLU A 650
GLY A 617
 None
 1.45A 3nxuB-1sj7A:
undetectable		 3nxuB-1sj7A:
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.
1sj8 TALIN 1

(Mus musculus) 		PF09141
(Talin_middle) 		5 ILE A 543
LEU A 584
THR A 554
GLU A 650
GLY A 617
 None
 1.31A 3nxuB-1sj8A:
undetectable		 3nxuB-1sj8A:
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.
1wac P2 PROTEIN

(Pseudomonas
virus phi6) 		PF00680
(RdRP_1) 		5 ARG A 587
ILE A 571
THR A 557
LEU A 591
GLU A 588
 None
 1.28A 3nxuB-1wacA:
undetectable		 3nxuB-1wacA:
22.97
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.
1x0u HYPOTHETICAL
METHYLMALONYL-COA
DECARBOXYLASE ALPHA
SUBUNIT

(Sulfurisphaera
tokodaii) 		PF01039
(Carboxyl_trans) 		5 ARG A 466
ILE A 453
ARG A 471
LEU A 473
GLY A 440
 None
 1.43A 3nxuB-1x0uA:
undetectable		 3nxuB-1x0uA:
21.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1x87 UROCANASE PROTEIN

(Geobacillus
stearothermophilus) 		PF01175
(Urocanase)
PF17391
(Urocanase_N)
PF17392
(Urocanase_C) 		5 ILE A 405
LEU A 408
PHE A 416
LEU A 361
GLY A 417
 None
 1.39A 3nxuB-1x87A:
undetectable		 3nxuB-1x87A:
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.
1ywf PHOSPHOTYROSINE
PROTEIN PHOSPHATASE
PTPB

(Mycobacterium
tuberculosis) 		PF13350
(Y_phosphatase3) 		5 ILE A 262
PHE A 169
LEU A 180
GLU A 176
GLY A 168
 None
 1.06A 3nxuB-1ywfA:
undetectable		 3nxuB-1ywfA:
21.60
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.
2a3v SITE-SPECIFIC
RECOMBINASE INTI4

(Vibrio cholerae) 		PF00589
(Phage_integrase)
PF13495
(Phage_int_SAM_4) 		5 LEU A 169
ARG A 270
LEU A 136
GLU A 138
GLY A 131
 None
 1.45A 3nxuB-2a3vA:
undetectable		 3nxuB-2a3vA:
20.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2amc PHENYLALANYL-TRNA
SYNTHETASE ALPHA
CHAIN
PHENYLALANYL-TRNA
SYNTHETASE BETA
CHAIN

(Thermus
thermophilus) 		PF01409
(tRNA-synt_2d)
PF01588
(tRNA_bind)
PF03147
(FDX-ACB)
PF03483
(B3_4)
PF03484
(B5) 		5 ARG B 499
ILE A 103
LEU B 498
GLU B 500
GLY A  98
 None
 1.30A 3nxuB-2amcB:
undetectable		 3nxuB-2amcB:
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.
2eyq TRANSCRIPTION-REPAIR
COUPLING FACTOR

(Escherichia
coli) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF02559
(CarD_CdnL_TRCF)
PF03461
(TRCF) 		5 ARG A 456
ILE A 877
LEU A 850
PHE A 632
GLY A 633
 EPE  A1152 ( 4.8A)
None
None
None
None
 1.30A 3nxuB-2eyqA:
undetectable		 3nxuB-2eyqA:
18.50
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.
2ijd PICORNAIN 3C,
RNA-DIRECTED RNA
POLYMERASE

(Enterovirus C) 		PF00548
(Peptidase_C3)
PF00680
(RdRP_1) 		5 ILE 1  15
THR 1  20
ARG 1  79
GLU 1  81
GLY 1  51
 None
 1.16A 3nxuB-2ijd1:
undetectable		 3nxuB-2ijd1:
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.
2iv2 FORMATE
DEHYDROGENASE H

(Escherichia
coli) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4) 		5 ARG X  90
ARG X 396
LEU X 424
GLU X 423
GLY X  99
 None
 1.47A 3nxuB-2iv2X:
undetectable		 3nxuB-2iv2X:
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.
2ix8 ELONGATION FACTOR 3A

(Saccharomyces
cerevisiae) 		PF00005
(ABC_tran) 		5 ILE A1282
LEU A1290
ARG A1252
LEU A1249
GLY A1292
 None
 1.50A 3nxuB-2ix8A:
undetectable		 3nxuB-2ix8A:
19.90
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.
2k6g REPLICATION FACTOR C
SUBUNIT 1

(Homo sapiens) 		PF00533
(BRCT) 		5 ILE A 470
LEU A 407
THR A 438
LEU A 465
GLY A 409
 None
 1.42A 3nxuB-2k6gA:
undetectable		 3nxuB-2k6gA:
14.29
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.
2ka9 DISKS LARGE HOMOLOG
4

(Rattus
norvegicus) 		PF00595
(PDZ) 		5 ARG A  85
ILE A   6
LEU A  15
GLU A  62
GLY A  81
 None
 1.35A 3nxuB-2ka9A:
undetectable		 3nxuB-2ka9A:
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.
2pbp ENOYL-COA HYDRATASE
SUBUNIT I

(Geobacillus
kaustophilus) 		PF00378
(ECH_1) 		5 ARG A 196
ARG A  51
LEU A 197
GLU A 199
GLY A  13
 None
 1.42A 3nxuB-2pbpA:
undetectable		 3nxuB-2pbpA:
19.84
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.
2r9q 2'-DEOXYCYTIDINE
5'-TRIPHOSPHATE
DEAMINASE

(Agrobacterium
fabrum) 		PF06559
(DCD) 		5 ARG A 319
LEU A 254
ARG A 119
GLU A 317
GLY A 219
 None
 1.16A 3nxuB-2r9qA:
undetectable		 3nxuB-2r9qA:
23.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2rhp THROMBOSPONDIN-2

(Homo sapiens) 		PF02412
(TSP_3)
PF05735
(TSP_C)
PF07645
(EGF_CA)
PF12947
(EGF_3) 		5 ARG A 982
ILE A 981
LEU A1152
LEU A 723
GLY A1012
 None
 1.48A 3nxuB-2rhpA:
undetectable		 3nxuB-2rhpA:
20.88
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.
2zai OLIGOSACCHARYL
TRANSFERASE STT3
SUBUNIT RELATED
PROTEIN

(Pyrococcus
furiosus) 		no annotation 5 ARG A 941
ILE A 870
LEU A 930
ARG A 874
GLY A 935
 None
 1.45A 3nxuB-2zaiA:
undetectable		 3nxuB-2zaiA:
22.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3aeq LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT B

(Rhodobacter
capsulatus) 		PF00148
(Oxidored_nitro) 		5 LEU B 120
THR B  94
ARG B  18
LEU B  42
GLY B 132
 None
 1.19A 3nxuB-3aeqB:
undetectable		 3nxuB-3aeqB:
20.66
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.
3b9e CHITINASE A

(Vibrio harveyi) 		PF00704
(Glyco_hydro_18)
PF08329
(ChitinaseA_N) 		5 ILE A 507
LEU A 488
ARG A 538
GLU A 523
GLY A 541
 None
 1.31A 3nxuB-3b9eA:
undetectable		 3nxuB-3b9eA:
20.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3c8w ACETOACETATE
DECARBOXYLASE ADC

(Legionella
pneumophila) 		PF06314
(ADC) 		5 ILE A  73
LEU A 243
ARG A 118
LEU A 127
GLY A 116
 None
None
LCK  A 125 (-3.9A)
None
None
 1.32A 3nxuB-3c8wA:
undetectable		 3nxuB-3c8wA:
19.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cz8 PUTATIVE
SPORULATION-SPECIFIC
GLYCOSYLASE YDHD

(Bacillus
subtilis) 		PF00704
(Glyco_hydro_18) 		5 ILE A 177
LEU A 182
PHE A 222
GLU A 212
GLY A 257
 None
None
None
GOL  A 502 (-3.4A)
None
 1.46A 3nxuB-3cz8A:
undetectable		 3nxuB-3cz8A:
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.
3fjy PROBABLE MUTT1
PROTEIN

(Bifidobacterium
adolescentis) 		PF00293
(NUDIX)
PF00300
(His_Phos_1) 		5 ARG A 283
ILE A 342
LEU A 325
LEU A 280
GLY A 306
 None
 1.23A 3nxuB-3fjyA:
undetectable		 3nxuB-3fjyA:
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.
3fjy PROBABLE MUTT1
PROTEIN

(Bifidobacterium
adolescentis) 		PF00293
(NUDIX)
PF00300
(His_Phos_1) 		5 ARG A 283
ILE A 342
LEU A 325
LEU A 280
GLY A 307
 None
 1.36A 3nxuB-3fjyA:
undetectable		 3nxuB-3fjyA:
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.
3gra TRANSCRIPTIONAL
REGULATOR, ARAC
FAMILY

(Pseudomonas
putida) 		PF01965
(DJ-1_PfpI) 		5 LEU A 175
PHE A 173
LEU A 212
GLU A 209
GLY A 187
 None
 1.41A 3nxuB-3graA:
undetectable		 3nxuB-3graA:
18.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3h4l DNA MISMATCH REPAIR
PROTEIN PMS1

(Saccharomyces
cerevisiae) 		PF01119
(DNA_mis_repair)
PF13589
(HATPase_c_3) 		5 ARG A 292
THR A 382
LEU A 351
GLU A 350
GLY A 295
 None
 1.24A 3nxuB-3h4lA:
undetectable		 3nxuB-3h4lA:
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.
3hmj FATTY ACID SYNTHASE
SUBUNIT ALPHA

(Saccharomyces
cerevisiae) 		PF00109
(ketoacyl-synt)
PF01648
(ACPS)
PF02801
(Ketoacyl-synt_C) 		5 ARG A1017
LEU A1452
THR A1528
GLU A1016
GLY A1011
 None
 1.05A 3nxuB-3hmjA:
undetectable		 3nxuB-3hmjA:
14.01
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.
3hr6 PUTATIVE
SURFACE-ANCHORED
FIMBRIAL SUBUNIT

(Corynebacterium
diphtheriae) 		no annotation 5 ARG A 163
THR A 131
ARG A 345
LEU A 344
GLY A  86
 None
 1.49A 3nxuB-3hr6A:
undetectable		 3nxuB-3hr6A:
23.99
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.
3hyj PROTEIN DUF199/WHIA

(Thermotoga
maritima) 		PF10298
(WhiA_N)
PF14527
(LAGLIDADG_WhiA) 		5 ILE A 185
LEU A 151
THR A 143
GLU A 135
GLY A 160
 None
 1.43A 3nxuB-3hyjA:
undetectable		 3nxuB-3hyjA:
18.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i4u ATP-DEPENDENT RNA
HELICASE DHX8

(Homo sapiens) 		PF04408
(HA2)
PF07717
(OB_NTP_bind) 		5 ARG A 979
LEU A1006
ARG A1088
GLU A 982
GLY A1084
 BR  A   1 (-4.1A)
None
GOL  A  12 (-4.0A)
None
GOL  A  13 ( 3.3A)
 1.38A 3nxuB-3i4uA:
undetectable		 3nxuB-3i4uA:
20.94
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.
3kwl UNCHARACTERIZED
PROTEIN

(Helicobacter
pylori) 		no annotation 5 ILE A 113
LEU A 121
PHE A 124
LEU A 162
GLY A 142
 None
 1.47A 3nxuB-3kwlA:
undetectable		 3nxuB-3kwlA:
22.30
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.
3lj0 SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1

(Saccharomyces
cerevisiae) 		PF00069
(Pkinase)
PF06479
(Ribonuc_2-5A) 		5 LEU A 975
ARG A 823
LEU A 822
GLU A 820
GLY A 784
 None
 1.47A 3nxuB-3lj0A:
undetectable		 3nxuB-3lj0A:
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.
3mr7 ADENYLATE/GUANYLATE
CYCLASE/HYDROLASE,
ALPHA/BETA FOLD
FAMILY

(Ruegeria
pomeroyi) 		PF00211
(Guanylate_cyc) 		5 ILE A  42
ARG A  94
LEU A 120
GLU A 121
GLY A 127
 None
 1.41A 3nxuB-3mr7A:
undetectable		 3nxuB-3mr7A:
17.01
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.
3oqb OXIDOREDUCTASE

(Bradyrhizobium
diazoefficiens) 		PF01408
(GFO_IDH_MocA) 		5 ARG A 168
ILE A 258
LEU A 210
ARG A 271
GLU A 170
 None
 1.32A 3nxuB-3oqbA:
undetectable		 3nxuB-3oqbA:
21.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pq1 POLY(A) RNA
POLYMERASE

(Homo sapiens) 		no annotation 5 ILE A 226
LEU A 334
PHE A 230
ARG A 207
GLY A 231
 None
 1.37A 3nxuB-3pq1A:
undetectable		 3nxuB-3pq1A:
23.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qhb SYMERYTHRIN

(Cyanophora
paradoxa) 		PF02915
(Rubrerythrin) 		5 ILE A 130
ARG A 119
LEU A 121
GLU A 122
GLY A  12
 None
 1.28A 3nxuB-3qhbA:
undetectable		 3nxuB-3qhbA:
17.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3she MAP KINASE-ACTIVATED
PROTEIN KINASE 3

(Homo sapiens) 		PF00069
(Pkinase) 		5 ILE A 130
LEU A 172
THR A 175
ARG A 148
GLU A 145
 None
 1.34A 3nxuB-3sheA:
undetectable		 3nxuB-3sheA:
20.84
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.
3u6n HIGH-CONDUCTANCE
CA2+-ACTIVATED K+
CHANNEL PROTEIN

(Danio rerio) 		PF02254
(TrkA_N)
PF03493
(BK_channel_a) 		5 ILE A 566
LEU A 503
PHE A 493
ARG A 942
GLY A 492
 None
 1.40A 3nxuB-3u6nA:
undetectable		 3nxuB-3u6nA:
21.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zeu PROBABLE TRNA
THREONYLCARBAMOYLADE
NOSINE BIOSYNTHESIS
PROTEIN GCP

(Salmonella
enterica) 		PF00814
(Peptidase_M22) 		5 ILE B 305
LEU B 121
ARG B   2
LEU B  63
GLY B  23
 None
 1.42A 3nxuB-3zeuB:
undetectable		 3nxuB-3zeuB:
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.
4bb9 GLUCOKINASE
REGULATORY PROTEIN

(Homo sapiens) 		no annotation 5 ILE A 313
LEU A 486
THR A 405
LEU A 497
GLY A 346
 None
 1.44A 3nxuB-4bb9A:
1.9		 3nxuB-4bb9A:
22.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bb9 GLUCOKINASE
REGULATORY PROTEIN

(Homo sapiens) 		no annotation 5 ILE A 343
LEU A 378
PHE A 385
ARG A 358
GLY A 382
 None
 1.25A 3nxuB-4bb9A:
1.9		 3nxuB-4bb9A:
22.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4i4i 6-PHOSPHOFRUCTOKINAS
E

(Geobacillus
stearothermophilus) 		PF00365
(PFK) 		5 ILE A  45
LEU A 112
PHE A 117
ARG A   3
GLY A  96
 None
 1.00A 3nxuB-4i4iA:
undetectable		 3nxuB-4i4iA:
21.40
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.
4knh NUP192P

(Chaetomium
thermophilum) 		PF11894
(Nup192) 		5 ILE A 555
LEU A 609
ARG A 397
LEU A 468
GLU A 514
 None
 1.50A 3nxuB-4knhA:
undetectable		 3nxuB-4knhA:
18.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4lna PURINE NUCLEOSIDE
PHOSPHORYLASE

(Spirosoma
linguale) 		PF01048
(PNP_UDP_1) 		5 ILE A 249
THR A 212
LEU A 260
GLU A 257
GLY A  78
 MPD  A 503 ( 4.4A)
None
None
None
None
 0.88A 3nxuB-4lnaA:
undetectable		 3nxuB-4lnaA:
20.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ny4 CYTOCHROME P450 3A4

(Homo sapiens) 		PF00067
(p450) 		6 ARG A 105
ILE A 120
THR A 309
ARG A 372
LEU A 373
GLU A 374
 HEM  A 601 ( 2.8A)
None
2QH  A 602 ( 3.7A)
None
HEM  A 601 (-4.1A)
2QH  A 602 ( 4.8A)
 0.53A 3nxuB-4ny4A:
53.1		 3nxuB-4ny4A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ny4 CYTOCHROME P450 3A4

(Homo sapiens) 		PF00067
(p450) 		6 ARG A 105
THR A 309
ARG A 372
LEU A 373
GLU A 374
GLY A 481
 HEM  A 601 ( 2.8A)
2QH  A 602 ( 3.7A)
None
HEM  A 601 (-4.1A)
2QH  A 602 ( 4.8A)
None
 0.83A 3nxuB-4ny4A:
53.1		 3nxuB-4ny4A:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4q88 UNCHARACTERIZED
PROTEIN

(Bacteroides
vulgatus) 		PF07470
(Glyco_hydro_88) 		5 ARG A 253
LEU A 305
PHE A 296
LEU A 159
GLY A 295
 None
 1.14A 3nxuB-4q88A:
undetectable		 3nxuB-4q88A:
22.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4r9x COPPER HOMEOSTASIS
PROTEIN CUTC

(Bacillus
anthracis) 		PF03932
(CutC) 		5 LEU A  93
PHE A  63
THR A 134
LEU A 173
GLY A  91
 None
PGE  A 301 (-4.3A)
None
None
None
 1.23A 3nxuB-4r9xA:
undetectable		 3nxuB-4r9xA:
17.90
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.
4rh7 GREEN FLUORESCENT
PROTEIN/CYTOPLASMIC
DYNEIN 2 HEAVY CHAIN
1

(Homo sapiens;
synthetic
construct) 		PF03028
(Dynein_heavy)
PF07728
(AAA_5)
PF08393
(DHC_N2)
PF12774
(AAA_6)
PF12775
(AAA_7)
PF12777
(MT)
PF12780
(AAA_8)
PF12781
(AAA_9) 		5 ILE A1473
LEU A1454
PHE A1458
LEU A1514
GLY A1460
 None
 1.49A 3nxuB-4rh7A:
undetectable		 3nxuB-4rh7A:
9.40
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.
4s38 4-HYDROXY-3-METHYLBU
T-2-EN-1-YL
DIPHOSPHATE SYNTHASE

(Thermus
thermophilus) 		PF04551
(GcpE) 		5 LEU A 287
THR A 258
ARG A 216
LEU A 211
GLY A 254
 None
KCX  A 108 ( 4.2A)
None
None
None
 1.32A 3nxuB-4s38A:
undetectable		 3nxuB-4s38A:
21.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4uph SULFATASE (SULFURIC
ESTER HYDROLASE)
PROTEIN

(Agrobacterium
tumefaciens) 		PF00884
(Sulfatase)
PF16347
(DUF4976) 		5 ILE A 377
LEU A 402
THR A 321
LEU A 305
GLY A  51
 None
 1.37A 3nxuB-4uphA:
undetectable		 3nxuB-4uphA:
21.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wb7 DNAJ HOMOLOG
SUBFAMILY B MEMBER
1,CAMP-DEPENDENT
PROTEIN KINASE
CATALYTIC SUBUNIT
ALPHA

(Homo sapiens) 		PF00069
(Pkinase)
PF00226
(DnaJ) 		5 ILE A 128
PHE A 402
THR A  92
LEU A 150
GLU A 146
 None
 1.43A 3nxuB-4wb7A:
undetectable		 3nxuB-4wb7A:
21.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xpr ALPHA-GLUCOSIDASE

(Pseudopedobacter
saltans) 		PF01055
(Glyco_hydro_31)
PF17137
(DUF5110) 		5 ILE A 442
PHE A 450
THR A 131
GLU A 566
GLY A 101
 None
EDO  A1001 (-4.8A)
None
None
None
 1.31A 3nxuB-4xprA:
undetectable		 3nxuB-4xprA:
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.
5b5r GASDERMIN-A3

(Mus musculus) 		PF04598
(Gasdermin) 		5 LEU A  61
PHE A  36
THR A  56
ARG A 209
LEU A 210
 None
 1.48A 3nxuB-5b5rA:
undetectable		 3nxuB-5b5rA:
22.54
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.
5bnd ABC TRANSPORTER,
ATP-BINDING PROTEIN

(Staphylococcus
epidermidis) 		no annotation 5 ILE A 448
LEU A 458
PHE A 452
LEU A 338
GLY A 453
 None
 1.40A 3nxuB-5bndA:
undetectable		 3nxuB-5bndA:
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.
5du2 ESPG2
GLYCOSYLTRANSFERASE

(Actinomadura
verrucosospora) 		PF00201
(UDPGT) 		5 ARG A 212
ILE A 192
LEU A 340
THR A 302
GLY A 316
 None
 1.19A 3nxuB-5du2A:
undetectable		 3nxuB-5du2A:
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.
5hpk E3 UBIQUITIN-PROTEIN
LIGASE NEDD4-LIKE

(Homo sapiens) 		PF00632
(HECT) 		5 LEU A 673
PHE A 711
THR A 885
LEU A 650
GLY A 709
 None
 1.45A 3nxuB-5hpkA:
undetectable		 3nxuB-5hpkA:
22.81
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.
5hvm ALPHA,ALPHA-TREHALOS
E-PHOSPHATE SYNTHASE
(UDP-FORMING)

(Aspergillus
fumigatus) 		PF00982
(Glyco_transf_20) 		5 ILE A 251
LEU A 454
PHE A 451
LEU A 372
GLY A 404
 None
 1.36A 3nxuB-5hvmA:
undetectable		 3nxuB-5hvmA:
22.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hzg F-BOX/LRR-REPEAT
MAX2 HOMOLOG

(Oryza sativa) 		no annotation 5 ILE B 356
LEU B 361
LEU B 373
GLU B 347
GLY B 366
 None
 1.18A 3nxuB-5hzgB:
undetectable		 3nxuB-5hzgB:
21.28
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.
5ij6 LIPOATE--PROTEIN
LIGASE

(Enterococcus
faecalis) 		PF03099
(BPL_LplA_LipB)
PF10437
(Lip_prot_lig_C) 		5 ILE A  36
LEU A 205
PHE A  84
LEU A  21
GLU A  18
 None
 1.16A 3nxuB-5ij6A:
undetectable		 3nxuB-5ij6A:
21.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5v76 MICROCOMPARTMENTS
PROTEIN

(Haliangium
ochraceum) 		no annotation 5 LEU A  63
PHE A 170
THR A   7
ARG A 175
LEU A 141
 None
 1.15A 3nxuB-5v76A:
undetectable		 3nxuB-5v76A:
17.01
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.
5v8c TRANSCRIPTIONAL
REGULATOR

(Actinomyces
oris) 		no annotation 5 ILE A 332
LEU A 134
THR A  95
ARG A 352
GLY A 183
 None
 1.42A 3nxuB-5v8cA:
undetectable		 3nxuB-5v8cA:
10.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5veu CYTOCHROME P450 3A5

(Homo sapiens) 		no annotation 5 ARG A 105
THR A 309
LEU A 373
GLU A 374
GLY A 480
 HEM  A 601 (-2.8A)
HEM  A 601 ( 3.5A)
HEM  A 601 ( 4.2A)
RIT  A 602 ( 4.8A)
RIT  A 602 ( 3.7A)
 0.85A 3nxuB-5veuA:
48.9		 3nxuB-5veuA:
83.33
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.
5vm1 XYLULOKINASE

(Brucella ovis) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		5 ILE A  49
LEU A   7
ARG A  93
LEU A  92
GLY A  81
 None
 1.49A 3nxuB-5vm1A:
undetectable		 3nxuB-5vm1A:
21.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wbl REGULATORY-ASSOCIATE
D PROTEIN OF TOR 1

(Arabidopsis
thaliana) 		no annotation 5 ILE A 526
LEU A 509
ARG A 552
LEU A 554
GLY A 545
 None
 1.44A 3nxuB-5wblA:
undetectable		 3nxuB-5wblA:
10.47
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.
5y9w POLLEN RECEPTOR-LIKE
KINASE 6

(Arabidopsis
thaliana) 		no annotation 5 LEU B  48
PHE B  63
ARG B 102
LEU B 126
GLY B  64
 None
None
SO4  B 703 (-3.2A)
None
None
 1.20A 3nxuB-5y9wB:
undetectable		 3nxuB-5y9wB:
11.27
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.
5z5d BETA-XYLOSIDASE

(Geobacillus
thermoleovorans) 		no annotation 5 ILE A 508
ARG A 367
LEU A 267
GLU A 369
GLY A 365
 None
 1.11A 3nxuB-5z5dA:
undetectable		 3nxuB-5z5dA:
9.90
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.
5zmy -

(-) 		no annotation 5 ILE A  91
THR A 281
LEU A  28
GLU A  29
GLY A 270
 None
 1.09A 3nxuB-5zmyA:
undetectable		 3nxuB-5zmyA:
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.
6ar3 GSI-IIC RT

(Geobacillus
stearothermophilus) 		no annotation 5 ARG A 360
ILE A 361
LEU A 369
THR A 390
LEU A 352
 None
 1.41A 3nxuB-6ar3A:
undetectable		 3nxuB-6ar3A:
20.52
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.
6eno DEHYDRATASE FAMILY
PROTEIN

(Carboxydothermus
hydrogenoformans) 		no annotation 5 ARG A 334
ILE A 207
LEU A 200
GLU A 319
GLY A 326
 None
None
None
GOL  A 504 (-2.4A)
None
 1.33A 3nxuB-6enoA:
undetectable		 3nxuB-6enoA:
8.52
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.
6fpe ATPASE YJEE,
PREDICTED TO HAVE
ESSENTIAL ROLE IN
CELL WALL
BIOSYNTHESIS

(Thermotoga
maritima) 		no annotation 5 ILE E  76
LEU E  33
PHE E  44
THR E  63
GLY E  40
 None
None
None
None
APC  E 201 (-3.6A)
 1.47A 3nxuB-6fpeE:
undetectable		 3nxuB-6fpeE:
10.97