SIMILAR PATTERNS OF AMINO ACIDS FOR 5N9X_A_THRA601

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.
1a8q BROMOPEROXIDASE A1

(Kitasatospora
aureofaciens) 		PF00561
(Abhydrolase_1) 		4 ASP A 212
PHE A 211
GLY A 105
GLY A 108
 None
 0.93A 5n9xA-1a8qA:
2.8		 5n9xA-1a8qA:
20.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1amu GRAMICIDIN
SYNTHETASE 1

(Brevibacillus
brevis) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 PHE A 234
ASP A 235
GLY A 302
GLY A 324
LYS A 517
 PHE  A 566 ( 4.5A)
PHE  A 566 (-2.8A)
PHE  A 566 ( 3.6A)
PHE  A 566 (-4.7A)
AMP  A 567 ( 2.8A)
 0.65A 5n9xA-1amuA:
50.1		 5n9xA-1amuA:
30.39
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.
1bw0 PROTEIN (TYROSINE
AMINOTRANSFERASE)

(Trypanosoma
cruzi) 		PF00155
(Aminotran_1_2) 		4 PHE A 214
ASP A 216
GLY A 116
GLY A 113
 None
LLP  A 253 ( 2.8A)
None
LLP  A 253 ( 3.6A)
 0.88A 5n9xA-1bw0A:
3.4		 5n9xA-1bw0A:
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.
1d6h CHALCONE SYNTHASE

(Medicago sativa) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		4 PHE A 265
GLY A 163
GLY A 374
HIS A 303
 None
 1.04A 5n9xA-1d6hA:
undetectable		 5n9xA-1d6hA:
22.06
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.
1dpp DIPEPTIDE BINDING
PROTEIN

(Escherichia
coli) 		PF00496
(SBP_bac_5) 		4 ASP A 494
PHE A  39
GLY A 410
GLY A 407
 None
 1.04A 5n9xA-1dppA:
undetectable		 5n9xA-1dppA:
21.86
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.
1dqs PROTEIN
(3-DEHYDROQUINATE
SYNTHASE)

(Aspergillus
nidulans) 		PF01761
(DHQ_synthase) 		4 ASP A 355
GLY A 270
GLY A 274
HIS A 275
 None
None
None
CRB  A 401 (-4.2A)
 1.00A 5n9xA-1dqsA:
undetectable		 5n9xA-1dqsA:
24.60
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.
1ffv CUTL, MOLYBDOPROTEIN
OF CARBON MONOXIDE
DEHYDROGENASE

(Hydrogenophaga
pseudoflava) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		4 ASP B  27
PHE B  30
GLY B 523
GLY B 525
 None
None
PCD  B1920 (-3.6A)
PCD  B1920 ( 4.2A)
 1.02A 5n9xA-1ffvB:
undetectable		 5n9xA-1ffvB:
22.73
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.
1kbv MAJOR OUTER MEMBRANE
PROTEIN PAN 1

(Neisseria
gonorrhoeae) 		PF00394
(Cu-oxidase)
PF07732
(Cu-oxidase_3) 		4 PHE A 121
PHE A 123
GLY A 106
GLY A 103
 None
 1.01A 5n9xA-1kbvA:
undetectable		 5n9xA-1kbvA:
20.93
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.
1lgy TRIACYLGLYCEROL
LIPASE

(Rhizopus niveus) 		PF01764
(Lipase_3) 		4 PHE A  86
GLY A  82
GLY A 147
HIS A 144
 None
 0.93A 5n9xA-1lgyA:
undetectable		 5n9xA-1lgyA:
20.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1mda METHYLAMINE
DEHYDROGENASE (HEAVY
SUBUNIT)

(Paracoccus
denitrificans) 		PF06433
(Me-amine-dh_H) 		4 ASP H 102
PHE H 106
GLY H  26
GLY H  28
 None
 0.96A 5n9xA-1mdaH:
undetectable		 5n9xA-1mdaH:
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.
1n60 CARBON MONOXIDE
DEHYDROGENASE LARGE
CHAIN

(Oligotropha
carboxidovorans) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		4 ASP B  30
PHE B  33
GLY B 529
GLY B 531
 None
None
MCN  B4920 (-3.5A)
MCN  B4920 ( 4.2A)
 0.99A 5n9xA-1n60B:
undetectable		 5n9xA-1n60B:
22.18
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.
1now BETA-HEXOSAMINIDASE
BETA CHAIN

(Homo sapiens) 		PF00728
(Glyco_hydro_20)
PF14845
(Glycohydro_20b2) 		4 PHE A 187
GLY A 107
GLY A 103
HIS A 102
 None
 0.90A 5n9xA-1nowA:
undetectable		 5n9xA-1nowA:
23.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vkh PUTATIVE SERINE
HYDROLASE

(Saccharomyces
cerevisiae) 		PF07859
(Abhydrolase_3) 		4 PHE A  50
ASP A  49
GLY A 112
GLY A  38
 None
 1.02A 5n9xA-1vkhA:
3.5		 5n9xA-1vkhA:
19.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xrc S-ADENOSYLMETHIONINE
SYNTHETASE

(Escherichia
coli) 		PF00438
(S-AdoMet_synt_N)
PF02772
(S-AdoMet_synt_M)
PF02773
(S-AdoMet_synt_C) 		4 PHE A 230
GLY A 234
GLY A  13
HIS A  14
 None
 1.05A 5n9xA-1xrcA:
undetectable		 5n9xA-1xrcA:
20.71
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.
1y30 HYPOTHETICAL PROTEIN
RV1155

(Mycobacterium
tuberculosis) 		PF01243
(Putative_PNPOx) 		4 PHE A   6
ASP A   7
GLY A 141
HIS A 138
 None
 0.95A 5n9xA-1y30A:
undetectable		 5n9xA-1y30A:
16.07
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.
1yew PARTICULATE METHANE
MONOOXYGENASE, A
SUBUNIT
PARTICULATE METHANE
MONOOXYGENASE
SUBUNIT C2

(Methylococcus
capsulatus;
Methylococcus
capsulatus) 		PF02461
(AMO)
PF04896
(AmoC) 		4 PHE B 219
GLY C 252
GLY C 247
HIS C 245
 None
 0.89A 5n9xA-1yewB:
undetectable		 5n9xA-1yewB:
19.36
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.
1yw6 SUCCINYLGLUTAMATE
DESUCCINYLASE

(Escherichia
coli) 		PF04952
(AstE_AspA) 		4 ASP A 145
GLY A  86
GLY A  51
HIS A  53
 None
 0.92A 5n9xA-1yw6A:
undetectable		 5n9xA-1yw6A:
23.33
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.
2au1 IGG-DEGRADING
PROTEASE

(Streptococcus
pyogenes) 		PF09028
(Mac-1) 		4 PHE A 326
ASP A 174
PHE A 172
GLY A 192
 None
 1.04A 5n9xA-2au1A:
undetectable		 5n9xA-2au1A:
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.
2bpn CYTOCHROME C3

(Desulfovibrio
vulgaris) 		PF02085
(Cytochrom_CIII) 		4 ASP A  42
GLY A  50
GLY A  47
HIS A  52
 HEC  A 109 (-2.6A)
None
HEC  A 109 ( 4.7A)
HEC  A 109 (-3.1A)
 1.00A 5n9xA-2bpnA:
undetectable		 5n9xA-2bpnA:
10.56
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.
2d3l GLUCAN
1,4-ALPHA-MALTOHEXAO
SIDASE

(Bacillus sp.
707) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		4 ASP A  62
PHE A  69
GLY A 149
HIS A 152
 None
 1.02A 5n9xA-2d3lA:
undetectable		 5n9xA-2d3lA:
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.
2d81 PHB DEPOLYMERASE

(Talaromyces
funiculosus) 		PF10503
(Esterase_phd) 		4 PHE A 161
ASP A 160
GLY A 266
GLY A 186
 None
 1.05A 5n9xA-2d81A:
undetectable		 5n9xA-2d81A:
19.48
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.
2nxf PUTATIVE DIMETAL
PHOSPHATASE

(Danio rerio) 		PF00149
(Metallophos) 		4 PHE A 296
GLY A 310
GLY A 312
HIS A 294
 None
 0.68A 5n9xA-2nxfA:
undetectable		 5n9xA-2nxfA:
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.
2obv S-ADENOSYLMETHIONINE
SYNTHETASE ISOFORM
TYPE-1

(Homo sapiens) 		PF00438
(S-AdoMet_synt_N)
PF02772
(S-AdoMet_synt_M)
PF02773
(S-AdoMet_synt_C) 		4 PHE A 250
GLY A 254
GLY A  28
HIS A  29
 SAM  A 501 (-3.4A)
None
None
SAM  A 501 (-3.6A)
 1.02A 5n9xA-2obvA:
undetectable		 5n9xA-2obvA:
22.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2p2s PUTATIVE
OXIDOREDUCTASE

(Pectobacterium
atrosepticum) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		4 ASP A 235
GLY A 248
GLY A 246
HIS A 156
 None
 0.83A 5n9xA-2p2sA:
4.7		 5n9xA-2p2sA:
22.60
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.
2q1w PUTATIVE NUCLEOTIDE
SUGAR EPIMERASE/
DEHYDRATASE

(Bordetella
bronchiseptica) 		PF01370
(Epimerase) 		4 PHE A 276
ASP A 275
GLY A 221
HIS A 220
 None
 1.03A 5n9xA-2q1wA:
undetectable		 5n9xA-2q1wA:
22.04
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.
2qe8 UNCHARACTERIZED
PROTEIN

(Trichormus
variabilis) 		PF03022
(MRJP) 		4 ASP A 250
GLY A  70
GLY A  19
HIS A  34
 UNL  A 344 (-2.6A)
None
None
UNL  A 344 (-4.2A)
 1.01A 5n9xA-2qe8A:
undetectable		 5n9xA-2qe8A:
20.89
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.
2qfr PURPLE ACID
PHOSPHATASE

(Phaseolus
vulgaris) 		PF00149
(Metallophos)
PF14008
(Metallophos_C)
PF16656
(Pur_ac_phosph_N) 		4 PHE A 161
GLY A 137
GLY A 363
HIS A 325
 None
None
None
FE  A 433 ( 3.5A)
 0.95A 5n9xA-2qfrA:
undetectable		 5n9xA-2qfrA:
22.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2uzz N-METHYL-L-TRYPTOPHA
N OXIDASE

(Escherichia
coli) 		PF01266
(DAO) 		4 PHE A 366
ASP A 317
PHE A 318
HIS A 338
 None
 1.00A 5n9xA-2uzzA:
undetectable		 5n9xA-2uzzA:
22.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2v7b BENZOATE-COENZYME A
LIGASE

(Paraburkholderia
xenovorans) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		4 PHE A 236
GLY A 333
HIS A 339
LYS A 520
 BEZ  A1529 (-4.7A)
BEZ  A1529 (-3.6A)
BEZ  A1529 (-3.8A)
BEZ  A1529 (-2.9A)
 0.92A 5n9xA-2v7bA:
43.8		 5n9xA-2v7bA:
28.60
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.
2wge 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 1

(Mycobacterium
tuberculosis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		4 ASP A 273
PHE A 402
GLY A 288
GLY A 284
 TLM  A1424 ( 4.6A)
None
None
None
 1.05A 5n9xA-2wgeA:
undetectable		 5n9xA-2wgeA:
24.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wkw CARBOXYLESTERASE

(Alcaligenes sp.) 		no annotation 4 PHE A 252
GLY A 232
GLY A 209
HIS A 205
 None
W22  A 577 ( 4.4A)
None
None
 0.94A 5n9xA-2wkwA:
3.6		 5n9xA-2wkwA:
19.67
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.
2x31 MAGNESIUM-CHELATASE
60 KDA SUBUNIT

(Rhodobacter
capsulatus) 		PF13519
(VWA_2) 		4 ASP A  16
PHE A  52
GLY A  54
GLY A  82
 None
 0.78A 5n9xA-2x31A:
undetectable		 5n9xA-2x31A:
18.48
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.
2xhy 6-PHOSPHO-BETA-GLUCO
SIDASE BGLA

(Escherichia
coli) 		PF00232
(Glyco_hydro_1) 		4 ASP A 256
PHE A 259
GLY A 337
GLY A 326
 None
 0.95A 5n9xA-2xhyA:
undetectable		 5n9xA-2xhyA:
22.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3dhv D-ALANINE-POLY(PHOSP
HORIBITOL) LIGASE

(Bacillus cereus) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 PHE A 196
ASP A 197
GLY A 270
GLY A 295
LYS A 492
 DAL  A 701 (-4.7A)
DAL  A 701 ( 2.7A)
DAL  A 701 ( 3.1A)
AMP  A 711 ( 4.7A)
DAL  A 701 ( 3.2A)
 0.77A 5n9xA-3dhvA:
46.4		 5n9xA-3dhvA:
31.52
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.
3e9m OXIDOREDUCTASE,
GFO/IDH/MOCA FAMILY

(Enterococcus
faecalis) 		PF01408
(GFO_IDH_MocA) 		4 ASP A 208
GLY A 178
GLY A 176
HIS A 175
 None
 0.69A 5n9xA-3e9mA:
3.5		 5n9xA-3e9mA:
20.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3goz LEUCINE-RICH
REPEAT-CONTAINING
PROTEIN

(Legionella
pneumophila) 		no annotation 4 ASP A 120
PHE A 121
GLY A 117
GLY A  89
 None
 0.91A 5n9xA-3gozA:
undetectable		 5n9xA-3gozA:
20.22
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.
3kkl PROBABLE CHAPERONE
PROTEIN HSP33

(Saccharomyces
cerevisiae) 		no annotation 4 ASP A 113
PHE A 112
GLY A  15
GLY A  25
 None
 0.87A 5n9xA-3kklA:
3.0		 5n9xA-3kklA:
19.06
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.
3kom TRANSKETOLASE

(Francisella
tularensis) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		4 ASP A 185
GLY A  69
GLY A  30
HIS A 263
 None
 0.81A 5n9xA-3komA:
2.1		 5n9xA-3komA:
22.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3lgx D-ALANINE--POLY(PHOS
PHORIBITOL) LIGASE
SUBUNIT 1

(Streptococcus
pyogenes) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 PHE A 194
ASP A 195
GLY A 268
GLY A 293
LYS A 495
 ATP  A 600 ( 4.9A)
None
ATP  A 600 (-3.4A)
ATP  A 600 ( 4.8A)
ATP  A 600 (-2.9A)
 0.59A 5n9xA-3lgxA:
49.4		 5n9xA-3lgxA:
31.66
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.
3lx6 CYTOSINE-SPECIFIC
METHYLTRANSFERASE

(Shigella
flexneri) 		PF00145
(DNA_methylase) 		4 PHE A  89
ASP A  91
GLY A 102
GLY A  98
 None
 0.97A 5n9xA-3lx6A:
undetectable		 5n9xA-3lx6A:
22.18
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.
3me5 CYTOSINE-SPECIFIC
METHYLTRANSFERASE

(Shigella
flexneri) 		PF00145
(DNA_methylase) 		4 PHE A  89
ASP A  91
GLY A 102
GLY A  98
 None
 1.02A 5n9xA-3me5A:
3.3		 5n9xA-3me5A:
22.88
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.
3ng0 GLUTAMINE SYNTHETASE

(Synechocystis
sp. PCC 6803) 		PF00120
(Gln-synt_C)
PF03951
(Gln-synt_N) 		4 ASP A 139
PHE A 138
GLY A 220
GLY A 159
 None
 1.01A 5n9xA-3ng0A:
undetectable		 5n9xA-3ng0A:
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.
3pao ADENOSINE DEAMINASE

(Pseudomonas
aeruginosa) 		PF00962
(A_deaminase) 		4 ASP A 100
PHE A  98
GLY A 166
HIS A 196
 None
None
None
ZN  A 327 ( 3.5A)
 1.04A 5n9xA-3paoA:
undetectable		 5n9xA-3paoA:
21.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3poh ENDO-BETA-N-ACETYLGL
UCOSAMINIDASE F1

(Bacteroides
thetaiotaomicron) 		PF08522
(DUF1735) 		4 ASP A 222
GLY A 191
GLY A 189
HIS A  65
 None
 0.99A 5n9xA-3pohA:
undetectable		 5n9xA-3pohA:
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.
3r11 ENZYME OF ENOLASE
SUPERFAMILY

(Francisella
philomiragia) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 PHE A 355
PHE A 353
GLY A  48
GLY A  46
 None
 0.88A 5n9xA-3r11A:
2.4		 5n9xA-3r11A:
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.
3so4 METHIONINE-ADENOSYLT
RANSFERASE

(Entamoeba
histolytica) 		PF00438
(S-AdoMet_synt_N)
PF02772
(S-AdoMet_synt_M)
PF02773
(S-AdoMet_synt_C) 		4 PHE A 237
GLY A 241
GLY A  15
HIS A  16
 None
 0.89A 5n9xA-3so4A:
undetectable		 5n9xA-3so4A:
22.10
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.
3v5q NT-3 GROWTH FACTOR
RECEPTOR

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		4 PHE A 585
GLY A 610
GLY A 608
HIS A 532
 None
 1.04A 5n9xA-3v5qA:
undetectable		 5n9xA-3v5qA:
19.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3vns NRPS ADENYLATION
PROTEIN CYTC1

(Streptomyces
sp.) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		6 PHE A 207
ASP A 208
PHE A 209
GLY A 281
GLY A 308
LYS A 507
 DVA  A 602 (-4.1A)
DVA  A 602 (-2.8A)
DVA  A 602 ( 4.2A)
AMP  A 601 ( 3.4A)
DVA  A 602 ( 4.2A)
DVA  A 602 ( 2.7A)
 0.47A 5n9xA-3vnsA:
59.3		 5n9xA-3vnsA:
56.47
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.
3w1j L-SERYL-TRNA(SEC)
SELENIUM TRANSFERASE

(Aquifex
aeolicus) 		PF03841
(SelA) 		4 ASP A 277
GLY A 241
GLY A 237
HIS A 238
 None
 0.97A 5n9xA-3w1jA:
undetectable		 5n9xA-3w1jA:
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.
4a5w COMPLEMENT C5

(Homo sapiens) 		PF00207
(A2M)
PF01759
(NTR)
PF01835
(A2M_N)
PF07677
(A2M_recep)
PF07678
(A2M_comp)
PF07703
(A2M_N_2) 		4 ASP A1289
PHE A1284
GLY A1243
GLY A1281
 None
 0.85A 5n9xA-4a5wA:
undetectable		 5n9xA-4a5wA:
16.10
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.
4ays AMYLOSUCRASE

(Deinococcus
radiodurans) 		PF00128
(Alpha-amylase) 		4 PHE A 481
GLY A 483
GLY A 381
HIS A 345
 None
 1.05A 5n9xA-4aysA:
undetectable		 5n9xA-4aysA:
24.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dix PLECTIN-RELATED
PROTEIN

(Arabidopsis
thaliana) 		PF16709
(SCAB-IgPH) 		4 ASP A 339
PHE A 338
GLY A 485
GLY A 433
 None
 0.94A 5n9xA-4dixA:
undetectable		 5n9xA-4dixA:
18.44
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.
4ege DIPEPTIDASE PEPE

(Mycobacterium
ulcerans) 		PF00557
(Peptidase_M24)
PF01321
(Creatinase_N) 		4 ASP A 242
GLY A 305
GLY A 307
HIS A 313
 ZN  A 412 ( 2.3A)
None
None
UNX  A 421 ( 4.9A)
 1.02A 5n9xA-4egeA:
undetectable		 5n9xA-4egeA:
22.72
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.
4exq UROPORPHYRINOGEN
DECARBOXYLASE

(Burkholderia
thailandensis) 		PF01208
(URO-D) 		4 ASP A 214
PHE A 254
GLY A 258
GLY A 218
 None
 1.05A 5n9xA-4exqA:
undetectable		 5n9xA-4exqA:
23.30
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.
4imp POLYKETIDE SYNTHASE
EXTENDER MODULES 3-4

(Saccharopolyspora
spinosa) 		PF08659
(KR) 		4 PHE A 506
PHE A 510
GLY A 418
GLY A 420
 None
 0.93A 5n9xA-4impA:
4.5		 5n9xA-4impA:
24.19
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.
4j3q CATECHOL OXIDASE

(Aspergillus
oryzae) 		PF00264
(Tyrosinase) 		4 PHE A 308
GLY A 304
GLY A 296
HIS A 288
 CU  A1002 ( 4.9A)
None
None
CU  A1002 (-3.2A)
 0.96A 5n9xA-4j3qA:
undetectable		 5n9xA-4j3qA:
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.
4k90 EXTRACELLULAR
METALLOPROTEINASE
MEP
EXTRACELLULAR
METALLOPROTEINASE
MEP

(Aspergillus
fumigatus;
Aspergillus
fumigatus) 		PF02128
(Peptidase_M36)
PF07504
(FTP) 		4 ASP A 569
GLY B  96
GLY B  93
HIS B  99
 None
 1.02A 5n9xA-4k90A:
undetectable		 5n9xA-4k90A:
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.
4l3w LIPASE

(Rhizopus
microsporus) 		PF01764
(Lipase_3) 		4 PHE A 113
GLY A 109
GLY A 174
HIS A 171
 None
 0.87A 5n9xA-4l3wA:
undetectable		 5n9xA-4l3wA:
20.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nas RIBULOSE-BISPHOSPHAT
E CARBOXYLASE

(Alicyclobacillus
acidocaldarius) 		PF00016
(RuBisCO_large) 		4 ASP A 379
PHE A 378
GLY A 169
GLY A 373
 None
 0.92A 5n9xA-4nasA:
undetectable		 5n9xA-4nasA:
25.05
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.
4ni2 GUANYLATE CYCLASE
SOLUBLE SUBUNIT
ALPHA-3
GUANYLATE CYCLASE
SOLUBLE SUBUNIT
BETA-1

(Homo sapiens;
Homo sapiens) 		PF00211
(Guanylate_cyc)
PF00211
(Guanylate_cyc) 		4 ASP A 486
PHE A 490
GLY B 544
GLY A 529
 EDO  A 702 (-3.7A)
EDO  A 702 ( 3.0A)
None
EDO  B 701 ( 3.2A)
 0.93A 5n9xA-4ni2A:
undetectable		 5n9xA-4ni2A:
15.05
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.
4oec GLYCEROPHOSPHORYL
DIESTER
PHOSPHODIESTERASE

(Thermococcus
kodakarensis) 		PF03009
(GDPD) 		4 PHE A 214
ASP A 211
GLY A  11
HIS A  12
 None
 0.83A 5n9xA-4oecA:
undetectable		 5n9xA-4oecA:
18.84
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.
4oxi ENTEROBACTIN
SYNTHETASE COMPONENT
F-RELATED PROTEIN

(Vibrio cholerae) 		PF00501
(AMP-binding) 		5 PHE A 246
ASP A 247
GLY A 317
GLY A 341
LYS A 452
 GAP  A 601 (-4.5A)
GAP  A 601 (-2.8A)
GAP  A 601 (-3.2A)
GAP  A 601 (-4.9A)
GAP  A 601 (-2.8A)
 0.95A 5n9xA-4oxiA:
44.3		 5n9xA-4oxiA:
29.90
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.
4p5p THIJ/PFPI FAMILY
PROTEIN

(Francisella
tularensis) 		PF01965
(DJ-1_PfpI) 		4 PHE A 108
ASP A 107
GLY A 100
GLY A  22
 None
 1.01A 5n9xA-4p5pA:
3.1		 5n9xA-4p5pA:
17.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qfu GLYCOSIDE HYDROLASE
FAMILY 5

(Bacteroides
vulgatus) 		PF12904
(Collagen_bind_2)
PF13204
(DUF4038) 		4 ASP A 280
PHE A 265
GLY A 217
GLY A 239
 None
 0.84A 5n9xA-4qfuA:
undetectable		 5n9xA-4qfuA:
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.
4qg5 PUTATIVE
PHOSPHOGLUCOMUTASE

(Leishmania
major) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I)
PF02879
(PGM_PMM_II)
PF02880
(PGM_PMM_III) 		4 ASP A 220
GLY A 227
GLY A 224
HIS A 223
 None
 0.98A 5n9xA-4qg5A:
3.0		 5n9xA-4qg5A:
23.43
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.
4rgz XAA-PRO
AMINOPEPTIDASE

(Thermococcus
sibiricus) 		no annotation 4 ASP A 240
GLY A 303
GLY A 305
HIS A 311
 ZN  A 401 (-2.3A)
None
None
ZN  A 402 ( 4.8A)
 1.02A 5n9xA-4rgzA:
undetectable		 5n9xA-4rgzA:
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.
4txg CHITINASE

(Chromobacterium
violaceum) 		PF00704
(Glyco_hydro_18)
PF06483
(ChiC) 		4 ASP A 327
PHE A 330
GLY A 273
GLY A 260
 None
 0.99A 5n9xA-4txgA:
undetectable		 5n9xA-4txgA:
22.11
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.
4wv3 ANTHRANILATE-COA
LIGASE

(Stigmatella
aurantiaca) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 PHE A 220
PHE A 222
GLY A 318
HIS A 324
LYS A 506
 3UK  A 601 (-4.3A)
3UK  A 601 (-4.4A)
3UK  A 601 (-3.5A)
3UK  A 601 (-3.6A)
3UK  A 601 (-2.5A)
 0.97A 5n9xA-4wv3A:
45.1		 5n9xA-4wv3A:
26.57
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.
4y67 1-DEOXY-D-XYLULOSE
5-PHOSPHATE
REDUCTOISOMERASE,
APICOPLAST

(Plasmodium
falciparum) 		PF02670
(DXP_reductoisom)
PF08436
(DXP_redisom_C)
PF13288
(DXPR_C) 		4 PHE A 213
GLY A 412
GLY A 409
HIS A 320
 None
 0.88A 5n9xA-4y67A:
4.2		 5n9xA-4y67A:
17.79
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.
4yhp FAB HEAVY CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		4 PHE A 100
GLY A 103
GLY A 105
HIS A 107
 None
 1.04A 5n9xA-4yhpA:
undetectable		 5n9xA-4yhpA:
17.80
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.
4zng PROLIDASE

(Lactococcus
lactis) 		no annotation 4 ASP C 232
GLY C 295
GLY C 297
HIS C 303
 MN  C 401 (-2.2A)
None
None
None
 1.04A 5n9xA-4zngC:
undetectable		 5n9xA-4zngC:
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.
4zxi TYROCIDINE
SYNTHETASE 3

(Acinetobacter
baumannii) 		PF00501
(AMP-binding)
PF00550
(PP-binding)
PF00668
(Condensation)
PF00975
(Thioesterase)
PF13193
(AMP-binding_C) 		5 PHE A 669
ASP A 670
GLY A 739
GLY A 762
LYS A 952
 GLY  A1402 (-4.8A)
GLY  A1402 (-2.6A)
AMP  A1403 ( 3.3A)
AMP  A1403 (-4.9A)
GLY  A1402 ( 3.1A)
 0.52A 5n9xA-4zxiA:
46.2		 5n9xA-4zxiA:
16.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5a1i S-ADENOSYLMETHIONINE
SYNTHASE ISOFORM
TYPE-2

(Homo sapiens) 		PF00438
(S-AdoMet_synt_N)
PF02772
(S-AdoMet_synt_M)
PF02773
(S-AdoMet_synt_C) 		4 PHE A 250
GLY A 254
GLY A  28
HIS A  29
 SAM  A 405 (-3.4A)
None
None
SAM  A 405 ( 3.6A)
 1.04A 5n9xA-5a1iA:
undetectable		 5n9xA-5a1iA:
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.
5a22 VESICULAR STOMATITIS
VIRUS L POLYMERASE

(Vesicular
stomatitis
virus) 		PF00946
(Mononeg_RNA_pol)
PF14314
(Methyltrans_Mon)
PF14318
(Mononeg_mRNAcap) 		4 PHE A 563
PHE A 628
GLY A 626
GLY A 630
 None
 1.04A 5n9xA-5a22A:
undetectable		 5n9xA-5a22A:
12.81
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.
5c2c FORM II RUBISCO

(Gallionella) 		PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N) 		4 PHE A 440
ASP A 443
GLY A 394
GLY A 370
 None
 0.99A 5n9xA-5c2cA:
2.3		 5n9xA-5c2cA:
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.
5cde PROLINE DIPEPTIDASE

(Xanthomonas
campestris) 		PF00557
(Peptidase_M24)
PF01321
(Creatinase_N) 		4 ASP A 262
GLY A 330
GLY A 332
HIS A 338
 ZN  A 402 ( 2.3A)
None
None
SO4  A 401 ( 3.8A)
 1.02A 5n9xA-5cdeA:
undetectable		 5n9xA-5cdeA:
22.60
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.
5dn6 ATP SYNTHASE GAMMA
CHAIN

(Paracoccus
denitrificans) 		PF00231
(ATP-synt) 		4 PHE G 164
ASP G 170
GLY G  71
GLY G  73
 None
 1.02A 5n9xA-5dn6G:
undetectable		 5n9xA-5dn6G:
21.08
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.
5h2g DIAMINOPIMELATE
EPIMERASE

(Corynebacterium
glutamicum) 		PF01678
(DAP_epimerase) 		4 PHE A 189
PHE A 188
GLY A 154
GLY A 152
 None
 0.98A 5n9xA-5h2gA:
undetectable		 5n9xA-5h2gA:
21.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hqb ALPHA-GLUCOSIDASE

(Pseudoalteromonas
sp. K8) 		PF10566
(Glyco_hydro_97)
PF14508
(GH97_N)
PF14509
(GH97_C) 		4 ASP A 355
PHE A 356
GLY A 331
GLY A 306
 None
 0.68A 5n9xA-5hqbA:
undetectable		 5n9xA-5hqbA:
21.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5iqk BETA-LACTAMASE RM3

(uncultured
bacterium) 		PF00753
(Lactamase_B) 		4 ASP A 147
GLY A 190
GLY A 185
HIS A 186
 None
None
None
ZN  A 401 (-3.2A)
 1.02A 5n9xA-5iqkA:
undetectable		 5n9xA-5iqkA:
20.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5jjp NONRIBOSOMAL PEPTIDE
SYNTHASE

(Streptomyces
sp. MJ635-86F5) 		PF00501
(AMP-binding) 		4 ASP A 216
PHE A 217
GLY A 289
GLY A 314
 None
 0.90A 5n9xA-5jjpA:
44.6		 5n9xA-5jjpA:
30.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5jjq AMP-DEPENDENT
SYNTHETASE AND
LIGASE

(Streptomyces
sp. ML694-90F3) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		4 ASP A 216
PHE A 217
GLY A 290
GLY A 315
 6L1  A 601 (-3.5A)
6L1  A 601 ( 4.7A)
6L1  A 601 (-3.3A)
6L1  A 601 (-4.7A)
 0.90A 5n9xA-5jjqA:
38.3		 5n9xA-5jjqA:
33.16
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.
5ldf GLUTAMINE SYNTHETASE

(Salmonella
enterica) 		PF00120
(Gln-synt_C)
PF03951
(Gln-synt_N) 		4 ASP A 136
PHE A 135
GLY A 217
GLY A 156
 None
 0.94A 5n9xA-5ldfA:
undetectable		 5n9xA-5ldfA:
20.73
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.
5m3q EUKARYOTIC
TRANSLATION
INITIATION FACTOR 6

(Chaetomium
thermophilum) 		PF01912
(eIF-6) 		4 PHE A  34
PHE A  16
GLY A  14
GLY A  60
 None
None
GOL  A 304 (-4.4A)
GOL  A 304 (-4.3A)
 0.94A 5n9xA-5m3qA:
undetectable		 5n9xA-5m3qA:
18.57
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.
5msy GLYCOSIDE HYDROLASE

(Bacteroides
thetaiotaomicron) 		PF12904
(Collagen_bind_2)
PF13204
(DUF4038) 		4 ASP A 282
PHE A 267
GLY A 219
GLY A 241
 None
 0.85A 5n9xA-5msyA:
undetectable		 5n9xA-5msyA:
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.
5n81 TYROCIDINE SYNTHASE
1

(Brevibacillus
parabrevis) 		no annotation 4 PHE A 232
ASP A 233
GLY A 300
GLY A 322
 8Q2  A 501 (-4.6A)
8Q2  A 501 (-2.7A)
8Q2  A 501 (-3.2A)
8Q2  A 501 (-4.1A)
 0.52A 5n9xA-5n81A:
49.3		 5n9xA-5n81A:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5n9x ADENYLATION DOMAIN

(Streptomyces
sp.) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		4 PHE A 211
ASP A 212
GLY A 284
GLY A 312
 THR  A 601 (-4.5A)
THR  A 601 (-2.7A)
THR  A 601 ( 4.1A)
THR  A 601 ( 3.5A)
 1.00A 5n9xA-5n9xA:
71.2		 5n9xA-5n9xA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5n9x ADENYLATION DOMAIN

(Streptomyces
sp.) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		7 PHE A 211
ASP A 212
PHE A 213
GLY A 285
GLY A 312
HIS A 319
LYS A 515
 THR  A 601 (-4.5A)
THR  A 601 (-2.7A)
THR  A 601 (-3.5A)
ATP  A 602 ( 3.3A)
THR  A 601 ( 3.5A)
THR  A 601 ( 4.8A)
THR  A 601 ( 2.5A)
 0.01A 5n9xA-5n9xA:
71.2		 5n9xA-5n9xA:
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.
5nii THIOREDOXIN
REDUCTASE

(Desulfovibrio
vulgaris) 		no annotation 4 ASP A 135
PHE A 138
GLY A 127
GLY A 125
 GOL  A 409 (-3.5A)
None
None
None
 0.97A 5n9xA-5niiA:
3.0		 5n9xA-5niiA:
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.
5oe5 ANTHRANILATE--COA
LIGASE

(Pseudomonas
aeruginosa) 		PF00501
(AMP-binding) 		4 PHE A 209
GLY A 279
GLY A 302
HIS A 308
 3UK  A 900 (-4.2A)
3UK  A 900 (-3.2A)
3UK  A 900 (-3.4A)
3UK  A 900 ( 2.8A)
 1.03A 5n9xA-5oe5A:
40.9		 5n9xA-5oe5A:
29.08
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.
5or4 CATECHOL OXIDASE

(Aspergillus
oryzae) 		no annotation 4 PHE A 308
GLY A 304
GLY A 296
HIS A 288
 None
None
None
CU  A2002 (-3.2A)
 0.99A 5n9xA-5or4A:
undetectable		 5n9xA-5or4A:
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.
5t9g GLYCOSIDE HYDROLASE

(Bacteroides
uniformis) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF16355
(DUF4982) 		4 ASP A 414
PHE A 136
GLY A 112
GLY A 132
 None
 1.00A 5n9xA-5t9gA:
undetectable		 5n9xA-5t9gA:
19.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5tzb D-AMINOPEPTIDASE

(Burkholderia
sp. LK4) 		PF03576
(Peptidase_S58) 		4 GLY A 162
GLY A 164
HIS A  31
LYS A 175
 None
 0.95A 5n9xA-5tzbA:
undetectable		 5n9xA-5tzbA:
25.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wmm NRPS

(Micromonospora
sp. ML1) 		no annotation 4 PHE A 212
ASP A 213
GLY A 282
GLY A 307
 CA  A1008 (-4.2A)
B6G  A1001 (-2.7A)
B6G  A1001 (-3.4A)
B6G  A1001 (-4.8A)
 0.56A 5n9xA-5wmmA:
47.8		 5n9xA-5wmmA:
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.
5xav INTRACELLULAR
POLYHYDROXYALKANOATE
SYNTHASE

(Chromobacterium
sp. USM2) 		PF07167
(PhaC_N) 		4 PHE A 442
GLY A 480
GLY A 476
HIS A 477
 None
 0.90A 5n9xA-5xavA:
3.2		 5n9xA-5xavA:
23.97
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.
5xfa NAD-REDUCING
HYDROGENASE

(Hydrogenophilus
thermoluteolus) 		PF01257
(2Fe-2S_thioredx)
PF01512
(Complex1_51K)
PF10589
(NADH_4Fe-4S) 		4 ASP A 458
PHE A 457
GLY A 390
HIS A  75
 None
 0.92A 5n9xA-5xfaA:
undetectable		 5n9xA-5xfaA:
24.76
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.
5xgc RAP1 GTPASE-GDP
DISSOCIATION
STIMULATOR 1

(Homo sapiens) 		PF00514
(Arm) 		5 PHE A 294
PHE A 269
GLY A 266
GLY A 263
HIS A 303
 None
 1.32A 5n9xA-5xgcA:
undetectable		 5n9xA-5xgcA:
20.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ysq TM0415

(Thermotoga
maritima) 		no annotation 4 PHE A  57
PHE A  55
GLY A  24
GLY A  26
 None
None
None
INS  A 301 (-3.8A)
 1.03A 5n9xA-5ysqA:
3.2		 5n9xA-5ysqA:
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.
6e0s -

(-) 		no annotation 4 ASP A 130
GLY A 173
GLY A 168
HIS A 169
 None
None
None
ZN  A 301 (-3.4A)
 0.98A 5n9xA-6e0sA:
undetectable		 5n9xA-6e0sA:
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.
6g72 NADH DEHYDROGENASE
[UBIQUINONE]
IRON-SULFUR PROTEIN
7, MITOCHONDRIAL
NADH DEHYDROGENASE
[UBIQUINONE]
IRON-SULFUR PROTEIN
8, MITOCHONDRIAL

(Mus musculus;
Mus musculus) 		no annotation
no annotation 		4 ASP I 114
GLY B 145
GLY B 133
HIS B 137
 None
 0.95A 5n9xA-6g72I:
undetectable		 5n9xA-6g72I:
undetectable