SIMILAR PATTERNS OF AMINO ACIDS FOR 3NXU_A_RITA600_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.
1cp2 NITROGENASE IRON
PROTEIN

(Clostridium
pasteurianum) 		PF00142
(Fer4_NifH) 		5 LEU A 193
PHE A 196
ILE A   6
ALA A   5
GLY A 177
 None
 1.07A 3nxuA-1cp2A:
undetectable		 3nxuA-1cp2A:
20.45
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.
1hjv CHITINASE-3 LIKE
PROTEIN 1

(Homo sapiens) 		PF00704
(Glyco_hydro_18) 		5 LEU A 294
PHE A 302
ILE A 283
ALA A 291
GLY A 217
 None
 0.96A 3nxuA-1hjvA:
0.0		 3nxuA-1hjvA:
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.
1kp0 CREATINE
AMIDINOHYDROLASE

(Actinobacillus) 		PF00557
(Peptidase_M24)
PF01321
(Creatinase_N) 		5 SER A  55
ILE A  51
ALA A  67
ILE A  96
GLY A  84
 None
 1.08A 3nxuA-1kp0A:
0.1		 3nxuA-1kp0A:
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.
1kyw CAFFEIC ACID
3-O-METHYLTRANSFERAS
E

(Medicago sativa) 		PF00891
(Methyltransf_2)
PF08100
(Dimerisation) 		5 PHE A 344
ILE A 256
PHE A 279
ALA A 296
GLU A 360
 None
 0.83A 3nxuA-1kywA:
0.0		 3nxuA-1kywA:
21.26
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.
1ofe FERREDOXIN-DEPENDENT
GLUTAMATE SYNTHASE 2

(Synechocystis
sp. PCC 6803) 		PF00310
(GATase_2)
PF01493
(GXGXG)
PF01645
(Glu_synthase)
PF04898
(Glu_syn_central) 		5 PHE A 334
ILE A 405
ILE A 362
ALA A   7
GLY A   4
 None
 0.97A 3nxuA-1ofeA:
0.0		 3nxuA-1ofeA:
15.01
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.
1qdl PROTEIN
(ANTHRANILATE
SYNTHASE
(TRPG-SUBUNIT))

(Sulfolobus
solfataricus) 		PF00117
(GATase) 		5 ALA B 161
ILE B  90
ALA B  89
GLU B  59
GLY B  95
 None
 1.03A 3nxuA-1qdlB:
0.0		 3nxuA-1qdlB:
19.86
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.
1sbp SULFATE-BINDING
PROTEIN

(Salmonella
enterica) 		PF13531
(SBP_bac_11) 		5 PHE A 298
ILE A 217
ALA A 219
ALA A 173
GLY A  46
 None
None
None
SO4  A 311 (-3.4A)
None
 1.02A 3nxuA-1sbpA:
undetectable		 3nxuA-1sbpA:
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.
1t5j HYPOTHETICAL PROTEIN
MJ1187

(Methanocaldococcus
jannaschii) 		PF03747
(ADP_ribosyl_GH) 		5 ILE A  80
PHE A  83
ALA A  84
ILE A 106
GLY A 123
 None
 1.01A 3nxuA-1t5jA:
0.0		 3nxuA-1t5jA:
21.75
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.
1xfb ALDOLASE C

(Homo sapiens) 		PF00274
(Glycolytic) 		5 ILE A 107
ALA A 143
ILE A  19
ALA A  20
GLY A  75
 None
 1.07A 3nxuA-1xfbA:
0.0		 3nxuA-1xfbA:
21.68
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.
2ado MEDIATOR OF DNA
DAMAGE CHECKPOINT
PROTEIN 1

(Homo sapiens) 		PF16770
(RTT107_BRCT_5) 		5 PHE A1981
ILE A1947
ALA A1940
ILE A2017
GLY A2068
 None
 1.04A 3nxuA-2adoA:
undetectable		 3nxuA-2adoA:
17.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2axc COLICIN E7

(Escherichia
coli) 		PF03515
(Cloacin) 		5 SER A 153
PHE A 219
ILE A 100
ALA A  91
GLY A 261
 GOL  A 401 (-2.8A)
None
GOL  A 401 (-4.0A)
None
None
 1.07A 3nxuA-2axcA:
undetectable		 3nxuA-2axcA:
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.
2buj SERINE/THREONINE-PRO
TEIN KINASE 16

(Homo sapiens) 		PF00069
(Pkinase) 		5 LEU A 155
PHE A 101
ILE A 139
ALA A 138
GLY A 131
 STU  A1301 ( 4.8A)
None
None
None
None
 1.07A 3nxuA-2bujA:
undetectable		 3nxuA-2bujA:
20.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.07A 3nxuA-2dkhA:
undetectable		 3nxuA-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.
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
 0.88A 3nxuA-2e9qA:
undetectable		 3nxuA-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.
2f2b AQUAPORIN AQPM

(Methanothermobacter
marburgensis) 		PF00230
(MIP) 		5 LEU A 157
PHE A 138
ILE A  66
ALA A  57
GLY A 191
 GOL  A 501 (-4.8A)
None
GOL  A 501 (-3.9A)
None
None
 1.08A 3nxuA-2f2bA:
undetectable		 3nxuA-2f2bA:
18.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fzw ALCOHOL
DEHYDROGENASE CLASS
III CHI CHAIN

(Homo sapiens) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 LEU A 170
ILE A 367
PHE A 344
ILE A 207
GLU A 266
 None
 1.07A 3nxuA-2fzwA:
undetectable		 3nxuA-2fzwA:
19.52
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.
2gqd 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2

(Staphylococcus
aureus) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 LEU A  15
ILE A  80
ALA A  83
ALA A 160
GLY A 344
 None
 1.02A 3nxuA-2gqdA:
undetectable		 3nxuA-2gqdA:
22.61
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.
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
 1.07A 3nxuA-2h4tA:
undetectable		 3nxuA-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.
2hnh DNA POLYMERASE III
ALPHA SUBUNIT

(Escherichia
coli) 		PF02811
(PHP)
PF07733
(DNA_pol3_alpha)
PF14579
(HHH_6) 		5 ILE A 205
ALA A  22
ILE A  41
ALA A  40
GLY A  57
 None
 1.05A 3nxuA-2hnhA:
undetectable		 3nxuA-2hnhA:
20.75
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.
2i0o SER/THR PHOSPHATASE

(Anopheles
gambiae) 		PF00481
(PP2C) 		5 PHE A 441
LEU A 515
ILE A 477
ALA A 497
GLY A 424
 None
 1.04A 3nxuA-2i0oA:
undetectable		 3nxuA-2i0oA:
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.
2ia2 PUTATIVE
TRANSCRIPTIONAL
REGULATOR

(Rhodococcus
jostii) 		PF01614
(IclR)
PF09339
(HTH_IclR) 		6 SER A 114
LEU A 201
ILE A 121
ALA A 145
GLU A 257
GLY A 197
 None
 1.31A 3nxuA-2ia2A:
undetectable		 3nxuA-2ia2A:
19.07
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.
2nvo RO SIXTY-RELATED
PROTEIN, RSR

(Deinococcus
radiodurans) 		PF05731
(TROVE) 		5 LEU A 364
ILE A 395
ALA A 391
ALA A 378
GLY A 493
 None
 0.87A 3nxuA-2nvoA:
undetectable		 3nxuA-2nvoA:
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.
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)
 0.94A 3nxuA-2pg8A:
undetectable		 3nxuA-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.
2pl5 HOMOSERINE
O-ACETYLTRANSFERASE

(Leptospira
interrogans) 		PF00561
(Abhydrolase_1) 		5 SER A 104
PHE A 347
ILE A  33
ALA A 133
GLY A 155
 None
 0.91A 3nxuA-2pl5A:
undetectable		 3nxuA-2pl5A:
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.
2qvw GLP_546_48378_50642

(Giardia
intestinalis) 		PF00636
(Ribonuclease_3)
PF02170
(PAZ) 		5 SER A 707
ALA A 612
ILE A 725
ALA A 724
GLY A 690
 None
 1.06A 3nxuA-2qvwA:
undetectable		 3nxuA-2qvwA:
21.46
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.
2yfn ALPHA-GALACTOSIDASE-
SUCROSE KINASE AGASK

([Ruminococcus]
gnavus) 		PF02065
(Melibiase)
PF16874
(Glyco_hydro_36C)
PF16875
(Glyco_hydro_36N) 		5 SER A 645
PHE A 195
ILE A 624
GLU A 241
GLY A 553
 None
 1.06A 3nxuA-2yfnA:
undetectable		 3nxuA-2yfnA:
21.16
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.
2yy5 TRYPTOPHANYL-TRNA
SYNTHETASE

(Mycoplasma
pneumoniae) 		PF00579
(tRNA-synt_1b) 		5 LEU A 273
PHE A 277
ALA A 255
ILE A 191
GLY A 245
 None
None
None
WSA  A1350 (-3.7A)
None
 1.05A 3nxuA-2yy5A:
undetectable		 3nxuA-2yy5A:
21.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2z1q ACYL-COA
DEHYDROGENASE

(Thermus
thermophilus) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		6 LEU A 497
ALA A 491
ILE A 354
ALA A 351
GLU A 346
GLY A 325
 None
 1.36A 3nxuA-2z1qA:
undetectable		 3nxuA-2z1qA:
23.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3a28 L-2.3-BUTANEDIOL
DEHYDROGENASE

(Corynebacterium
glutamicum) 		no annotation 5 LEU C  60
ILE C  72
ALA C  75
ILE C  29
GLY C  15
 None
 1.08A 3nxuA-3a28C:
undetectable		 3nxuA-3a28C:
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.
3beu TRYPSIN

(Streptomyces
griseus) 		PF00089
(Trypsin) 		5 PHE A 136
ALA A  91
ILE A 238
ALA A 235
GLY A 211
 None
 0.98A 3nxuA-3beuA:
undetectable		 3nxuA-3beuA:
20.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bgw DNAB-LIKE
REPLICATIVE HELICASE

(Bacillus phage
SPP1) 		PF00772
(DnaB)
PF03796
(DnaB_C) 		5 SER A 279
LEU A 213
ILE A 276
ALA A 246
GLY A 181
 None
 0.94A 3nxuA-3bgwA:
undetectable		 3nxuA-3bgwA:
22.31
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.
3bh0 DNAB-LIKE
REPLICATIVE HELICASE

(Bacillus phage
SPP1) 		PF03796
(DnaB_C) 		5 SER A 279
LEU A 213
ILE A 276
ALA A 246
GLY A 181
 None
 0.98A 3nxuA-3bh0A:
undetectable		 3nxuA-3bh0A:
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.
3blw ISOCITRATE
DEHYDROGENASE [NAD]
SUBUNIT 1

(Saccharomyces
cerevisiae) 		PF00180
(Iso_dh) 		5 ILE A 162
PHE A 165
ALA A 166
ILE A 126
GLY A 259
 None
 0.79A 3nxuA-3blwA:
undetectable		 3nxuA-3blwA:
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.
3ddj CBS
DOMAIN-CONTAINING
PROTEIN

(Sulfolobus
solfataricus) 		PF00571
(CBS) 		5 ILE A  42
ILE A  99
ALA A  96
GLU A 125
GLY A 106
 None
None
None
None
PEG  A 279 (-3.9A)
 1.02A 3nxuA-3ddjA:
undetectable		 3nxuA-3ddjA:
24.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.07A 3nxuA-3gitA:
undetectable		 3nxuA-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.
3go7 RIBOKINASE RBSK

(Mycobacterium
tuberculosis) 		PF00294
(PfkB) 		5 LEU A  82
PHE A  73
ALA A  72
ALA A 134
GLY A  92
 None
 0.98A 3nxuA-3go7A:
undetectable		 3nxuA-3go7A:
20.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3h8f CYTOSOL
AMINOPEPTIDASE

(Pseudomonas
putida) 		PF00883
(Peptidase_M17)
PF02789
(Peptidase_M17_N) 		5 LEU A 313
ILE A 372
PHE A 262
ALA A 370
GLY A 496
 None
 1.00A 3nxuA-3h8fA:
undetectable		 3nxuA-3h8fA:
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.
3iac GLUCURONATE
ISOMERASE

(Salmonella
enterica) 		PF02614
(UxaC) 		5 LEU A 399
PHE A 408
ILE A 349
PHE A 379
GLY A 391
 None
 1.06A 3nxuA-3iacA:
undetectable		 3nxuA-3iacA:
23.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ne2 PROBABLE AQUAPORIN
AQPM

(Archaeoglobus
fulgidus) 		PF00230
(MIP) 		5 LEU A 158
PHE A 139
ILE A  67
ALA A  58
GLY A 192
 None
 1.02A 3nxuA-3ne2A:
2.6		 3nxuA-3ne2A:
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.
3npf PUTATIVE
DIPEPTIDYL-PEPTIDASE
VI

(Bacteroides
ovatus) 		PF00877
(NLPC_P60) 		5 LEU A 211
ILE A 266
ALA A 183
ILE A 189
GLY A 195
 None
 1.06A 3nxuA-3npfA:
undetectable		 3nxuA-3npfA:
20.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3q9c ACETYLPOLYAMINE
AMIDOHYDROLASE

(Mycoplana
ramosa) 		PF00850
(Hist_deacetyl) 		6 SER A 280
ILE A 191
ALA A 175
ILE A 171
GLU A  28
GLY A 166
 None
 1.49A 3nxuA-3q9cA:
undetectable		 3nxuA-3q9cA:
21.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rgg PHOSPHORIBOSYLAMINOI
MIDAZOLE
CARBOXYLASE, PURE
PROTEIN

(Treponema
denticola) 		PF00731
(AIRC) 		5 PHE A 128
ALA A 125
ILE A  85
ALA A 112
GLY A  82
 None
 0.90A 3nxuA-3rggA:
undetectable		 3nxuA-3rggA:
13.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3va7 KLLA0E08119P

(Kluyveromyces
lactis) 		PF00289
(Biotin_carb_N)
PF00364
(Biotin_lipoyl)
PF02626
(CT_A_B)
PF02682
(CT_C_D)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		5 ILE A 648
PHE A 624
ILE A 700
ALA A 630
GLY A 726
 None
None
None
None
GOL  A1905 (-3.0A)
 1.08A 3nxuA-3va7A:
undetectable		 3nxuA-3va7A:
17.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4asy GLUCOSE-1-PHOSPHATE
THYMIDYLYLTRANSFERAS
E

(Pseudomonas
aeruginosa) 		PF00483
(NTP_transferase) 		6 PHE A 177
SER A 124
LEU A  45
PHE A 118
ALA A 136
GLY A 174
 None
None
N5Y  A1294 (-3.7A)
None
None
None
 1.26A 3nxuA-4asyA:
undetectable		 3nxuA-4asyA:
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.
4b43 TRANSLATION
INITIATION FACTOR
IF-2

(Thermus
thermophilus) 		PF00009
(GTP_EFTU)
PF04760
(IF2_N) 		5 LEU A 196
PHE A 201
ILE A 149
ALA A 178
GLU A 237
 None
 1.06A 3nxuA-4b43A:
undetectable		 3nxuA-4b43A:
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.
4b8b GENERAL NEGATIVE
REGULATOR OF
TRANSCRIPTION
SUBUNIT 1

(Saccharomyces
cerevisiae) 		PF16417
(CNOT1_TTP_bind)
PF16418
(CNOT1_HEAT)
PF16419
(CNOT1_HEAT_N) 		5 LEU A 475
ILE A 447
ALA A 443
ILE A 434
GLY A 466
 None
None
None
AU  A1752 ( 4.2A)
None
 1.04A 3nxuA-4b8bA:
undetectable		 3nxuA-4b8bA:
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.
4cp8 ALLOPHANATE
HYDROLASE

(Pseudomonas sp.
ADP) 		PF01425
(Amidase) 		5 SER A 165
LEU A 214
ALA A 103
ILE A  56
GLY A  89
 MLI  A1466 ( 3.7A)
None
None
None
None
 1.07A 3nxuA-4cp8A:
undetectable		 3nxuA-4cp8A:
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.
4d9o MEMBRANE-ASSOCIATED
PROTEIN VP24

(Reston
ebolavirus) 		PF06389
(Filo_VP24) 		5 LEU A 158
ALA A  43
ILE A 122
ALA A 118
GLU A 113
 None
 1.04A 3nxuA-4d9oA:
undetectable		 3nxuA-4d9oA:
19.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4e54 DNA DAMAGE-BINDING
PROTEIN 2

(Homo sapiens) 		PF00400
(WD40) 		5 SER B 297
LEU B 324
ALA B 317
ILE B 269
ALA B 259
 None
 1.05A 3nxuA-4e54B:
undetectable		 3nxuA-4e54B:
20.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hds ARSA
ARSB

(Sporomusa ovata) 		PF02277
(DBI_PRT) 		5 ILE B  94
PHE B  97
ALA B 308
ALA B 277
GLY A  37
 None
 1.04A 3nxuA-4hdsB:
undetectable		 3nxuA-4hdsB:
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.
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
 1.02A 3nxuA-4ij4A:
undetectable		 3nxuA-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.
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
 1.07A 3nxuA-4kvlA:
undetectable		 3nxuA-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.
4ldu AUXIN RESPONSE
FACTOR 5

(Arabidopsis
thaliana) 		PF02362
(B3)
PF06507
(Auxin_resp) 		5 PHE A 158
LEU A 198
PHE A 184
PHE A 210
GLY A 255
 None
 0.97A 3nxuA-4lduA:
undetectable		 3nxuA-4lduA:
19.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4m0d N-ACETYLMURAMIC ACID
6-PHOSPHATE ETHERASE

(Haemophilus
influenzae) 		PF01380
(SIS) 		5 LEU A 290
ILE A 274
ALA A 273
ALA A 235
GLY A  95
 None
 1.08A 3nxuA-4m0dA:
undetectable		 3nxuA-4m0dA:
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.
4ne4 ABC TRANSPORTER,
SUBSTRATE BINDING
PROTEIN
(PROLINE/GLYCINE/BET
AINE)

(Agrobacterium
fabrum) 		PF04069
(OpuAC) 		5 PHE A 165
LEU A 172
ALA A 197
ALA A 120
GLY A 139
 None
 1.03A 3nxuA-4ne4A:
undetectable		 3nxuA-4ne4A:
19.18
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) 		5 PHE A 108
SER A 119
ILE A 301
PHE A 304
GLU A 374
 2QH  A 602 (-4.4A)
2QH  A 602 (-3.9A)
None
2QH  A 602 (-3.3A)
2QH  A 602 ( 4.8A)
 1.02A 3nxuA-4ny4A:
53.3		 3nxuA-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
SER A 119
PHE A 241
ILE A 301
ALA A 305
ILE A 369
ALA A 370
GLU A 374
 2QH  A 602 (-4.4A)
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)
2QH  A 602 ( 4.8A)
 0.82A 3nxuA-4ny4A:
53.3		 3nxuA-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 SER A 119
LEU A 210
ILE A 301
ALA A 305
ILE A 369
ALA A 370
 2QH  A 602 (-3.9A)
None
None
2QH  A 602 ( 3.6A)
HEM  A 601 (-4.7A)
2QH  A 602 ( 3.1A)
 1.04A 3nxuA-4ny4A:
53.3		 3nxuA-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.
4ose PUTATIVE HYDROLASE

(Rickettsia
typhi) 		PF00561
(Abhydrolase_1) 		5 LEU A 132
PHE A 129
ILE A  55
ALA A  56
GLU A  29
 None
 1.01A 3nxuA-4oseA:
undetectable		 3nxuA-4oseA:
19.68
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.
4p13 MEDIUM-CHAIN
SPECIFIC ACYL-COA
DEHYDROGENASE,
MITOCHONDRIAL

(Homo sapiens) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 ILE A  53
ALA A  56
ILE A  83
ALA A  80
GLY A 262
 None
 0.89A 3nxuA-4p13A:
undetectable		 3nxuA-4p13A:
20.25
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.
4p53 CYCLASE

(Streptomyces
hygroscopicus) 		PF01761
(DHQ_synthase) 		5 PHE A 282
ILE A 373
ALA A 223
ALA A 259
GLU A 213
 None
None
None
None
ZN  A 501 (-2.6A)
 1.05A 3nxuA-4p53A:
undetectable		 3nxuA-4p53A:
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.
4pq9 BETA-1,3-GLUCANASE

(Mycobacterium
marinum) 		PF00722
(Glyco_hydro_16) 		5 LEU A 176
PHE A 122
ALA A 157
GLU A  56
GLY A 238
 None
None
None
BTB  A 303 ( 4.6A)
None
 1.08A 3nxuA-4pq9A:
undetectable		 3nxuA-4pq9A:
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.
4r0k DIPEPTIDYL-PEPTIDASE
VI

(Bacteroides
thetaiotaomicron) 		PF00877
(NLPC_P60) 		5 LEU A 211
ILE A 266
ALA A 183
ILE A 189
GLY A 195
 None
 1.07A 3nxuA-4r0kA:
undetectable		 3nxuA-4r0kA:
21.73
Potential target for repurposing, i.e. matched protein structure has less than 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
 1.08A 3nxuA-4r4gA:
undetectable		 3nxuA-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.
4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2

(Pisum sativum) 		PF00223
(PsaA_PsaB) 		5 SER B 202
ILE B 199
ALA B 274
ALA B 357
GLY B 260
 None
None
None
CLA  B1215 (-3.5A)
None
 1.06A 3nxuA-4rkuB:
undetectable		 3nxuA-4rkuB:
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.
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
 1.00A 3nxuA-4tw0A:
undetectable		 3nxuA-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.
4u8g PUTATIVE
UNCHARACTERIZED
PROTEIN GBS1891

(Streptococcus
agalactiae) 		PF13561
(adh_short_C2) 		5 PHE A  34
ILE A 148
ILE A 177
ALA A 178
GLY A 143
 None
 0.92A 3nxuA-4u8gA:
undetectable		 3nxuA-4u8gA:
20.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wkw UNCHARACTERIZED
PROTEIN

(Mycobacterium
leprae) 		PF01323
(DSBA) 		5 LEU A  87
ILE A  76
ALA A  72
ILE A 110
GLU A 122
 None
 1.07A 3nxuA-4wkwA:
undetectable		 3nxuA-4wkwA:
17.54
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.
4wn9 NITROGENASE
MOLYBDENUM-IRON
PROTEIN ALPHA CHAIN

(Clostridium
pasteurianum) 		PF00148
(Oxidored_nitro) 		5 ILE A 266
ALA A 270
ILE A 279
ALA A 255
GLY A 199
 None
 0.82A 3nxuA-4wn9A:
undetectable		 3nxuA-4wn9A:
22.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wy5 ESTERASE

(Rhizomucor
miehei) 		PF07859
(Abhydrolase_3) 		5 LEU A 106
PHE A  85
ILE A 295
ILE A  46
ALA A  44
 None
 0.99A 3nxuA-4wy5A:
undetectable		 3nxuA-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.
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
 1.02A 3nxuA-5a4pA:
undetectable		 3nxuA-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.
5c2c FORM II RUBISCO

(Gallionella) 		PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N) 		5 ILE A  74
ALA A  42
ILE A 118
ALA A 119
GLY A  35
 None
 1.08A 3nxuA-5c2cA:
undetectable		 3nxuA-5c2cA:
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.
5c4g PHOSPHATIDYLINOSITOL
4-KINASE BETA

(Homo sapiens) 		PF00454
(PI3_PI4_kinase) 		5 SER E 641
LEU E 615
PHE E 619
ILE E 670
GLY E 705
 None
 0.96A 3nxuA-5c4gE:
undetectable		 3nxuA-5c4gE:
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.
5df0 AC-CHIA

(Autographa
californica
multiple
nucleopolyhedrovirus) 		PF00704
(Glyco_hydro_18)
PF08329
(ChitinaseA_N) 		5 LEU A 171
ALA A 152
ILE A 541
ALA A 540
GLY A 143
 None
 0.98A 3nxuA-5df0A:
undetectable		 3nxuA-5df0A:
22.15
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.
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
 1.07A 3nxuA-5fyjG:
undetectable		 3nxuA-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.
5ghf AMINOTRANSFERASE
CLASS-III

(Ochrobactrum
anthropi) 		PF00202
(Aminotran_3) 		5 LEU A 379
ALA A  53
ALA A 418
GLU A 384
GLY A 229
 None
 1.04A 3nxuA-5ghfA:
undetectable		 3nxuA-5ghfA:
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.
5gnw BLR0248 PROTEIN

(Bradyrhizobium
diazoefficiens) 		no annotation 5 LEU C 127
PHE C 123
ALA C 134
ILE C  86
GLY C  43
 None
 1.02A 3nxuA-5gnwC:
undetectable		 3nxuA-5gnwC:
18.40
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.
5i8i UREA AMIDOLYASE

(Kluyveromyces
lactis) 		PF00289
(Biotin_carb_N)
PF01425
(Amidase)
PF02626
(CT_A_B)
PF02682
(CT_C_D)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		5 ILE A 648
PHE A 624
ILE A 700
ALA A 630
GLY A 726
 None
 1.08A 3nxuA-5i8iA:
undetectable		 3nxuA-5i8iA:
13.33
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.
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
 1.02A 3nxuA-5jbhH:
undetectable		 3nxuA-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.
5o30 PUTATIVE
OXIDOREDUCTASE

(Ilumatobacter
coccineus) 		PF13561
(adh_short_C2) 		5 PHE A 256
ALA A 239
ILE A  12
ALA A  15
GLU A  49
 None
 1.07A 3nxuA-5o30A:
undetectable		 3nxuA-5o30A:
20.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5okl AFAMIN

(Homo sapiens) 		no annotation 5 LEU A 388
PHE A 447
ALA A 448
ILE A 346
ALA A 220
 None
 1.03A 3nxuA-5oklA:
undetectable		 3nxuA-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.
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
 0.92A 3nxuA-5swjA:
undetectable		 3nxuA-5swjA:
21.91
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.
5uhe DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA'

(Mycobacterium
tuberculosis) 		PF00623
(RNA_pol_Rpb1_2)
PF04983
(RNA_pol_Rpb1_3)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4) 		5 ALA D 954
ILE D 957
ALA D 929
GLU D 939
GLY D 934
 None
 1.03A 3nxuA-5uheD:
undetectable		 3nxuA-5uheD:
16.70
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.
5uld TRANSPORTER, NADC
FAMILY

(Vibrio cholerae) 		PF00939
(Na_sulph_symp) 		5 ALA A 155
ILE A 149
ALA A 107
GLU A 313
GLY A 114
 None
 1.07A 3nxuA-5uldA:
0.0		 3nxuA-5uldA:
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.
5um2 ABC TRANSPORTER
SULFATE BINDING
PROTEIN

(Xanthomonas
citri) 		PF13531
(SBP_bac_11) 		5 PHE A 351
ILE A 269
ALA A 271
ALA A 225
GLY A  97
 None
None
None
SO4  A 401 (-3.4A)
GOL  A 403 ( 3.1A)
 0.99A 3nxuA-5um2A:
undetectable		 3nxuA-5um2A:
21.30
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 PHE A 215
PHE A 241
PHE A 304
ALA A 305
GLY A 480
 RIT  A 602 (-4.0A)
RIT  A 602 (-3.9A)
RIT  A 602 (-3.7A)
HEM  A 601 (-3.4A)
RIT  A 602 ( 3.7A)
 1.06A 3nxuA-5veuA:
49.3		 3nxuA-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 SER A 119
ILE A 301
ALA A 305
ALA A 370
GLY A 480
 RIT  A 602 (-3.7A)
RIT  A 602 ( 4.9A)
HEM  A 601 (-3.4A)
RIT  A 602 (-3.3A)
RIT  A 602 ( 3.7A)
 0.87A 3nxuA-5veuA:
49.3		 3nxuA-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 SER A 119
PHE A 241
ILE A 301
PHE A 304
ALA A 305
GLY A 480
 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)
RIT  A 602 ( 3.7A)
 0.48A 3nxuA-5veuA:
49.3		 3nxuA-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.
5vpu 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Acinetobacter
baumannii) 		PF01676
(Metalloenzyme)
PF06415
(iPGM_N) 		5 LEU A 142
PHE A 175
ILE A 118
ILE A  91
GLU A 124
 None
 1.04A 3nxuA-5vpuA:
undetectable		 3nxuA-5vpuA:
22.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5w8o HOMOSERINE
O-ACETYLTRANSFERASE

(Mycolicibacterium
hassiacum) 		PF00561
(Abhydrolase_1) 		5 SER A 109
PHE A 353
ILE A  38
ALA A 137
GLY A 159
 None
 0.80A 3nxuA-5w8oA:
undetectable		 3nxuA-5w8oA:
21.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5yzz B3 DOMAIN-CONTAINING
TRANSCRIPTION
REPRESSOR VAL1

(Arabidopsis
thaliana) 		no annotation 5 PHE C 295
LEU C 332
PHE C 344
ILE C 366
GLY C 391
 None
 1.06A 3nxuA-5yzzC:
undetectable		 3nxuA-5yzzC:
12.16
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.
6blb HOLLIDAY JUNCTION
ATP-DEPENDENT DNA
HELICASE RUVB

(Pseudomonas
aeruginosa) 		no annotation 5 SER A  86
ILE A  84
ILE A  61
GLU A 115
GLY A  66
 None
None
None
None
ADP  A 401 (-3.4A)
 1.05A 3nxuA-6blbA:
undetectable		 3nxuA-6blbA:
23.98
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.
6co0 STYRYLPYRONE
SYNTHASE 1

(Piper
methysticum) 		no annotation 5 PHE A 378
ILE A 310
ILE A 346
GLU A 192
GLY A 168
 None
WCA  A 801 ( 4.1A)
None
None
None
 1.03A 3nxuA-6co0A:
undetectable		 3nxuA-6co0A:
10.97
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.
6e29 -

(-) 		no annotation 5 LEU D 229
PHE D 241
ILE D 217
ALA D 189
ILE D 206
 None
 1.08A 3nxuA-6e29D:
undetectable		 3nxuA-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.
6ehs HYDROGENASE-2 LARGE
CHAIN

(Escherichia
coli) 		no annotation 5 ILE L 265
ALA L 113
ILE L 119
ALA L 122
GLY L 173
 None
 0.99A 3nxuA-6ehsL:
undetectable		 3nxuA-6ehsL:
9.75
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.
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 3nxuA-6et7A:
undetectable		 3nxuA-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.
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 3nxuA-6g2jM:
undetectable		 3nxuA-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
 1.02A 3nxuA-6g3uA:
undetectable		 3nxuA-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.
6gl3 -

(-) 		no annotation 5 SER A 656
LEU A 630
PHE A 634
ILE A 685
GLY A 720
 None
 0.96A 3nxuA-6gl3A:
undetectable		 3nxuA-6gl3A:
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.
6gui -

(-) 		no annotation 5 PHE A 118
ILE A  28
ILE A  49
ALA A 143
GLY A 146
 None
 1.08A 3nxuA-6guiA:
undetectable		 3nxuA-6guiA:
undetectable