SIMILAR PATTERNS OF AMINO ACIDS FOR 2EJ3_B_GBNB914

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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1a3g BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE

(Escherichia
coli) 		PF01063
(Aminotran_4) 		10 PHE A  36
TYR A  95
ARG A  97
TYR A 164
GLY A 196
GLU A 197
GLY A 256
THR A 257
ALA A 258
ALA A 259
 None
None
None
PLP  A 413 (-4.3A)
PLP  A 413 (-3.9A)
None
PLP  A 413 ( 3.9A)
PLP  A 413 (-3.4A)
None
None
 0.59A 2ej3B-1a3gA:
39.4		 2ej3B-1a3gA:
47.90
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.
1c2o ACETYLCHOLINESTERASE

(Electrophorus
electricus) 		PF00135
(COesterase) 		5 GLU A 202
GLY A 230
THR A 231
ALA A 207
ALA A 206
 None
 1.18A 2ej3B-1c2oA:
undetectable		 2ej3B-1c2oA:
20.18
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.
1ccw PROTEIN (GLUTAMATE
MUTASE)

(Clostridium
cochlearium) 		PF06368
(Met_asp_mut_E) 		5 TYR B 279
GLY B 389
GLY B 394
THR B 395
ALA B 392
 None
 0.92A 2ej3B-1ccwB:
undetectable		 2ej3B-1ccwB:
23.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1cg2 CARBOXYPEPTIDASE G2

(Pseudomonas sp.
RS-16) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		5 GLY A 212
GLY A 360
THR A 361
ALA A 363
ALA A 364
 None
 1.17A 2ej3B-1cg2A:
undetectable		 2ej3B-1cg2A:
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.
1efv ELECTRON TRANSFER
FLAVOPROTEIN

(Homo sapiens) 		PF00766
(ETF_alpha)
PF01012
(ETF) 		5 TYR A 235
GLY A 228
GLY A 255
ALA A 251
ALA A 254
 None
 1.16A 2ej3B-1efvA:
undetectable		 2ej3B-1efvA:
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.
1iz1 LYSR-TYPE REGULATORY
PROTEIN

(Cupriavidus
necator) 		PF00126
(HTH_1)
PF03466
(LysR_substrate) 		5 PHE A 177
GLY A 236
THR A 233
ALA A 238
ALA A 237
 None
 1.14A 2ej3B-1iz1A:
undetectable		 2ej3B-1iz1A:
23.74
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.
1kt8 BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE,
MITOCHONDRIAL

(Homo sapiens) 		PF01063
(Aminotran_4) 		7 PHE A  75
TYR A 141
ARG A 143
TYR A 207
GLY A 312
THR A 313
ALA A 314
 None
ILP  A 400 (-4.5A)
None
ILP  A 400 (-4.5A)
ILP  A 400 (-3.5A)
ILP  A 400 (-3.6A)
ILP  A 400 ( 4.7A)
 0.42A 2ej3B-1kt8A:
30.8		 2ej3B-1kt8A:
27.85
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.
1kv9 TYPE II
QUINOHEMOPROTEIN
ALCOHOL
DEHYDROGENASE

(Pseudomonas
putida) 		PF13360
(PQQ_2)
PF13442
(Cytochrome_CBB3) 		5 PHE A 179
TYR A 183
ARG A 193
GLY A 127
GLY A 123
 None
 1.12A 2ej3B-1kv9A:
undetectable		 2ej3B-1kv9A:
18.93
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.
1mro METHYL-COENZYME M
REDUCTASE

(Methanothermobacter
marburgensis) 		PF02249
(MCR_alpha)
PF02745
(MCR_alpha_N) 		5 GLY A 483
GLU A 487
THR A 335
ALA A 336
ALA A 337
 None
None
None
MGN  A 400 ( 3.6A)
None
 1.03A 2ej3B-1mroA:
undetectable		 2ej3B-1mroA:
19.78
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.
1nu5 CHLOROMUCONATE
CYCLOISOMERASE

(Pseudomonas sp.
P51) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 GLY A  45
GLY A 304
THR A 305
ALA A 306
ALA A 307
 None
 1.16A 2ej3B-1nu5A:
undetectable		 2ej3B-1nu5A:
23.73
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.
1o5w AMINE OXIDASE
[FLAVIN-CONTAINING]
A

(Rattus
norvegicus) 		PF01593
(Amino_oxidase) 		5 PHE A 411
GLY A 434
THR A 435
ALA A 438
ALA A 451
 None
FAD  A 652 (-3.4A)
FAD  A 652 (-3.6A)
None
None
 1.02A 2ej3B-1o5wA:
undetectable		 2ej3B-1o5wA:
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.
1qjm LACTOFERRIN

(Equus caballus) 		PF00405
(Transferrin) 		5 TYR A 433
GLY A 525
THR A 464
ALA A 465
ALA A 466
 None
None
CO3  A 693 (-3.8A)
CO3  A 693 (-2.7A)
CO3  A 693 (-4.0A)
 1.03A 2ej3B-1qjmA:
undetectable		 2ej3B-1qjmA:
20.09
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.
1twd COPPER HOMEOSTASIS
PROTEIN CUTC

(Shigella
flexneri) 		PF03932
(CutC) 		5 TYR A  67
GLY A  62
GLU A  33
GLY A  34
ALA A  30
 None
 1.17A 2ej3B-1twdA:
undetectable		 2ej3B-1twdA:
24.32
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.
1vjo ALANINE--GLYOXYLATE
AMINOTRANSFERASE

(Nostoc sp. PCC
7120) 		PF00266
(Aminotran_5) 		5 GLY A 216
GLY A  82
THR A  83
ALA A  84
ALA A  85
 None
PLP  A 400 (-3.2A)
PLP  A 400 (-3.5A)
None
None
 0.72A 2ej3B-1vjoA:
undetectable		 2ej3B-1vjoA:
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.
1w52 PANCREATIC LIPASE
RELATED PROTEIN 2

(Equus caballus) 		PF00151
(Lipase)
PF01477
(PLAT) 		5 GLU X 162
GLY X 127
THR X 130
ALA X 131
ALA X 128
 None
 1.14A 2ej3B-1w52X:
undetectable		 2ej3B-1w52X:
19.26
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.
1xa0 PUTATIVE NADPH
DEPENDENT
OXIDOREDUCTASES

(Geobacillus
stearothermophilus) 		PF00107
(ADH_zinc_N) 		5 TYR A 101
GLY A  94
GLY A  90
THR A  89
ALA A  88
 None
 0.93A 2ej3B-1xa0A:
undetectable		 2ej3B-1xa0A:
25.62
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.
1zbs HYPOTHETICAL PROTEIN
PG1100

(Porphyromonas
gingivalis) 		PF01869
(BcrAD_BadFG) 		5 PHE A 171
TYR A 175
GLY A 198
GLY A 147
ALA A 148
 None
 1.08A 2ej3B-1zbsA:
undetectable		 2ej3B-1zbsA:
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.
1zk7 MERCURIC REDUCTASE

(Pseudomonas
aeruginosa) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 GLY A  14
GLY A 324
THR A 325
ALA A 322
ALA A 323
 FAD  A 666 (-3.9A)
None
SO4  A2001 (-4.6A)
SO4  A2001 (-3.4A)
None
 0.92A 2ej3B-1zk7A:
undetectable		 2ej3B-1zk7A:
23.59
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.
2abj BRANCHED-CHAIN-AMINO
-ACID
AMINOTRANSFERASE,
CYTOSOLIC

(Homo sapiens) 		PF01063
(Aminotran_4) 		7 PHE A  93
TYR A 159
ARG A 161
TYR A 225
GLY A 330
THR A 331
ALA A 332
 CBC  A1401 (-4.6A)
CBC  A1401 (-4.3A)
CBC  A1401 ( 4.8A)
PLP  A 420 (-4.4A)
CBC  A1401 ( 3.4A)
PLP  A 420 ( 3.6A)
CBC  A1401 (-3.3A)
 0.29A 2ej3B-2abjA:
31.7		 2ej3B-2abjA:
28.84
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.
2e0p ENDOGLUCANASE

(Ruminiclostridium
thermocellum) 		PF12891
(Glyco_hydro_44) 		5 PHE A 161
GLY A  50
GLY A 113
ALA A 111
ALA A 112
 None
 1.01A 2ej3B-2e0pA:
undetectable		 2ej3B-2e0pA:
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.
2e7j SEP-TRNA:CYS-TRNA
SYNTHASE

(Archaeoglobus
fulgidus) 		PF05889
(SepSecS) 		5 PHE A  58
GLY A 207
GLY A  77
THR A  75
ALA A  78
 None
None
PLP  A1209 (-3.4A)
None
PLP  A1209 (-3.5A)
 1.05A 2ej3B-2e7jA:
undetectable		 2ej3B-2e7jA:
23.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ej0 BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE

(Thermus
thermophilus) 		PF01063
(Aminotran_4) 		10 PHE A  36
TYR A  95
ARG A  97
TYR A 164
GLY A 196
GLU A 197
GLY A 255
THR A 256
ALA A 257
ALA A 258
 None
None
None
PMP  A3413 (-4.4A)
PMP  A3413 (-3.7A)
None
PMP  A3413 (-3.5A)
PMP  A3413 (-3.6A)
None
None
 0.24A 2ej3B-2ej0A:
48.4		 2ej3B-2ej0A:
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.
2f46 HYPOTHETICAL PROTEIN

(Neisseria
meningitidis) 		PF04273
(DUF442) 		5 PHE A 146
GLY A 111
GLY A 140
ALA A 136
ALA A 139
 None
 1.08A 2ej3B-2f46A:
undetectable		 2ej3B-2f46A:
20.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fja ADENYLYLSULFATE
REDUCTASE, SUBUNIT A

(Archaeoglobus
fulgidus) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C) 		5 PHE A 448
TYR A 112
GLU A 401
GLY A 442
ALA A 443
 None
 1.09A 2ej3B-2fjaA:
undetectable		 2ej3B-2fjaA:
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.
2i6b ADENOSINE KINASE

(Homo sapiens) 		PF00294
(PfkB) 		5 PHE A  86
GLY A 121
THR A 120
ALA A 140
ALA A 139
 None
 1.11A 2ej3B-2i6bA:
undetectable		 2ej3B-2i6bA:
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.
2nad NAD-DEPENDENT
FORMATE
DEHYDROGENASE

(Pseudomonas sp.
101) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		5 PHE A  98
GLY A 347
THR A 348
ALA A 345
ALA A 346
 AZI  A 395 ( 4.4A)
None
None
None
None
 0.85A 2ej3B-2nadA:
undetectable		 2ej3B-2nadA:
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.
2p76 GLYCEROPHOSPHORYL
DIESTER
PHOSPHODIESTERASE

(Staphylococcus
aureus) 		PF03009
(GDPD) 		5 PHE A 237
ARG A 241
GLY A 253
GLY A 251
ALA A 249
 None
 1.01A 2ej3B-2p76A:
undetectable		 2ej3B-2p76A:
22.83
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.
2pvs PANCREATIC
LIPASE-RELATED
PROTEIN 2

(Homo sapiens) 		PF00151
(Lipase)
PF01477
(PLAT) 		5 GLU A 160
GLY A 125
THR A 128
ALA A 129
ALA A 126
 None
 1.10A 2ej3B-2pvsA:
undetectable		 2ej3B-2pvsA:
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.
2r6r CELL DIVISION
PROTEIN FTSZ

(Aquifex
aeolicus) 		PF00091
(Tubulin)
PF12327
(FtsZ_C) 		5 GLY 1  14
GLY 1 106
THR 1 105
ALA 1 109
ALA 1 110
 None
GDP  1 339 (-3.5A)
GDP  1 339 (-4.3A)
None
None
 1.08A 2ej3B-2r6r1:
undetectable		 2ej3B-2r6r1:
23.08
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.
2v6e PROTELEMORASE

(Klebsiella
phage phiKO2) 		PF16684
(Telomere_res) 		5 PHE A 428
TYR A 238
GLY A 273
ALA A 270
ALA A 269
 None
 1.04A 2ej3B-2v6eA:
undetectable		 2ej3B-2v6eA:
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.
2vxy CELL DIVISION
PROTEIN FTSZ

(Bacillus
subtilis) 		PF00091
(Tubulin)
PF12327
(FtsZ_C) 		5 GLY A  18
GLY A 110
THR A 109
ALA A 113
ALA A 114
 None
CIT  A 401 (-4.0A)
CIT  A 401 (-3.6A)
None
None
 1.08A 2ej3B-2vxyA:
undetectable		 2ej3B-2vxyA:
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.
2yia RNA-DIRECTED RNA
POLYMERASE

(Infectious
pancreatic
necrosis virus) 		PF04197
(Birna_RdRp) 		5 ARG A 639
GLY A 651
GLY A 603
ALA A 607
ALA A 604
 None
 1.15A 2ej3B-2yiaA:
undetectable		 2ej3B-2yiaA:
17.72
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.
2yib RNA-DIRECTED RNA
POLYMERASE

(Infectious
pancreatic
necrosis virus) 		PF04197
(Birna_RdRp) 		5 ARG D 639
GLY D 651
GLY D 603
ALA D 607
ALA D 604
 None
 1.18A 2ej3B-2yibD:
undetectable		 2ej3B-2yibD:
18.13
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.
2ynm LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT B

(Prochlorococcus
marinus) 		PF00148
(Oxidored_nitro)
PF08369
(PCP_red) 		5 TYR D  28
GLU D 129
GLY D 132
ALA D  16
ALA D 133
 None
GOL  D1530 ( 4.4A)
None
None
None
 1.17A 2ej3B-2ynmD:
undetectable		 2ej3B-2ynmD:
21.27
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.
2z5x AMINE OXIDASE
[FLAVIN-CONTAINING]
A

(Homo sapiens) 		PF01593
(Amino_oxidase) 		5 PHE A 411
GLY A 434
THR A 435
ALA A 438
ALA A 451
 None
FAD  A 600 (-3.1A)
FAD  A 600 (-3.4A)
None
None
 1.06A 2ej3B-2z5xA:
undetectable		 2ej3B-2z5xA:
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.
2zy2 L-ASPARTATE
4-CARBOXYLYASE

(Pseudomonas sp.
ATCC 19121) 		PF00155
(Aminotran_1_2) 		5 GLY A 325
GLY A 174
THR A 175
ALA A 176
ALA A 177
 None
PLP  A 900 (-3.5A)
PLP  A 900 (-3.8A)
None
None
 0.81A 2ej3B-2zy2A:
undetectable		 2ej3B-2zy2A:
21.23
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.
3ayf NITRIC OXIDE
REDUCTASE

(Geobacillus
stearothermophilus) 		PF00115
(COX1) 		5 TYR A 660
GLY A 630
GLY A 625
ALA A 655
ALA A 654
 HEM  A 802 (-4.1A)
HEM  A 802 (-4.0A)
None
HEM  A 802 (-3.4A)
None
 1.06A 2ej3B-3ayfA:
undetectable		 2ej3B-3ayfA:
17.15
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.
3cpi RAB GDP-DISSOCIATION
INHIBITOR

(Saccharomyces
cerevisiae) 		PF00996
(GDI) 		5 TYR G 415
GLY G 240
GLY G  45
ALA G  48
ALA G  49
 None
 1.07A 2ej3B-3cpiG:
undetectable		 2ej3B-3cpiG:
21.52
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.
3cpr DIHYDRODIPICOLINATE
SYNTHETASE

(Corynebacterium
glutamicum) 		PF00701
(DHDPS) 		5 TYR A 231
GLY A  18
GLY A  13
THR A  12
ALA A 195
 None
 1.16A 2ej3B-3cprA:
undetectable		 2ej3B-3cprA:
26.74
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.
3d6j PUTATIVE HALOACID
DEHALOGENASE-LIKE
HYDROLASE

(Bacteroides
fragilis) 		PF13419
(HAD_2) 		5 TYR A 164
GLY A 173
THR A 174
ALA A 175
ALA A 176
 None
 1.11A 2ej3B-3d6jA:
undetectable		 2ej3B-3d6jA:
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.
3do5 HOMOSERINE
DEHYDROGENASE

(Archaeoglobus
fulgidus) 		PF00742
(Homoserine_dh)
PF03447
(NAD_binding_3) 		5 GLY A 306
GLU A 309
GLY A 144
ALA A 313
ALA A 145
 None
 1.04A 2ej3B-3do5A:
undetectable		 2ej3B-3do5A:
24.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3dtg BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE

(Mycolicibacterium
smegmatis) 		PF01063
(Aminotran_4) 		7 PHE A  77
TYR A 144
ARG A 146
GLY A 243
GLY A 313
THR A 314
ALA A 315
 OBZ  A 371 (-4.6A)
None
OBZ  A 371 (-4.2A)
PLP  A 369 ( 3.8A)
PLP  A 369 (-3.6A)
PLP  A 369 (-3.5A)
OBZ  A 371 ( 4.1A)
 0.35A 2ej3B-3dtgA:
33.2		 2ej3B-3dtgA:
30.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3dtg BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE

(Mycolicibacterium
smegmatis) 		PF01063
(Aminotran_4) 		8 PHE A  77
TYR A 144
ARG A 146
TYR A 209
GLY A 313
THR A 314
ALA A 315
ALA A 316
 OBZ  A 371 (-4.6A)
None
OBZ  A 371 (-4.2A)
GOL  A 370 (-3.4A)
PLP  A 369 (-3.6A)
PLP  A 369 (-3.5A)
OBZ  A 371 ( 4.1A)
None
 0.64A 2ej3B-3dtgA:
33.2		 2ej3B-3dtgA:
30.37
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.
3edm SHORT CHAIN
DEHYDROGENASE

(Agrobacterium
fabrum) 		PF13561
(adh_short_C2) 		5 GLY A  19
GLY A  43
THR A  46
ALA A  47
ALA A  44
 None
 1.14A 2ej3B-3edmA:
undetectable		 2ej3B-3edmA:
22.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fa3 2,3-DIMETHYLMALATE
LYASE

(Aspergillus
niger) 		PF13714
(PEP_mutase) 		5 PHE A 241
GLY A 125
GLY A 192
THR A 221
ALA A 220
 None
OAF  A 501 (-3.5A)
None
None
None
 1.11A 2ej3B-3fa3A:
undetectable		 2ej3B-3fa3A:
26.28
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.
3fdd L-ASPARTATE-BETA-DEC
ARBOXYLASE

(Comamonas
testosteroni) 		PF00155
(Aminotran_1_2) 		5 GLY A 325
GLY A 174
THR A 175
ALA A 176
ALA A 177
 None
PLP  A 534 (-3.4A)
PLP  A 534 (-3.6A)
None
None
 0.77A 2ej3B-3fddA:
undetectable		 2ej3B-3fddA:
22.32
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.
3fn4 NAD-DEPENDENT
FORMATE
DEHYDROGENASE

(Moraxella sp.) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		5 PHE A  98
GLY A 347
THR A 348
ALA A 345
ALA A 346
 GOL  A 402 ( 4.7A)
None
None
None
None
 0.86A 2ej3B-3fn4A:
undetectable		 2ej3B-3fn4A:
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.
3g5t TRANS-ACONITATE
3-METHYLTRANSFERASE

(Saccharomyces
cerevisiae) 		PF13847
(Methyltransf_31) 		5 TYR A  21
GLY A  44
GLY A  48
THR A  49
ALA A  50
 SAH  A 308 (-4.6A)
SAH  A 308 (-3.6A)
None
SAH  A 308 (-3.4A)
SAH  A 308 ( 4.6A)
 0.81A 2ej3B-3g5tA:
undetectable		 2ej3B-3g5tA:
22.77
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.
3h1v GLUCOKINASE

(Homo sapiens) 		PF00349
(Hexokinase_1)
PF03727
(Hexokinase_2) 		5 ARG X 191
GLY X 117
THR X 118
ALA X 119
ALA X 173
 None
 1.15A 2ej3B-3h1vX:
undetectable		 2ej3B-3h1vX:
23.19
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.
3hd6 AMMONIUM TRANSPORTER
RH TYPE C

(Homo sapiens) 		PF00909
(Ammonium_transp) 		5 GLY A 290
GLY A 294
THR A 295
ALA A 296
ALA A 297
 None
 1.09A 2ej3B-3hd6A:
undetectable		 2ej3B-3hd6A:
21.12
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.
3hpf MUCONATE
CYCLOISOMERASE

(Oceanobacillus
iheyensis) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 GLY A  38
GLY A 303
THR A 304
ALA A 305
ALA A 306
 None
 1.09A 2ej3B-3hpfA:
undetectable		 2ej3B-3hpfA:
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.
3kfu GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT A

(Thermus
thermophilus) 		PF01425
(Amidase) 		5 PHE E 394
GLY E  36
GLY E 144
ALA E 147
ALA E 148
 None
 1.10A 2ej3B-3kfuE:
undetectable		 2ej3B-3kfuE:
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.
3ksu 3-OXOACYL-ACYL
CARRIER PROTEIN
REDUCTASE

(Oenococcus oeni) 		PF13561
(adh_short_C2) 		5 GLY A  16
GLY A  22
THR A  25
ALA A  26
ALA A  23
 None
 1.13A 2ej3B-3ksuA:
undetectable		 2ej3B-3ksuA:
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.
3loo ANOPHELES GAMBIAE
ADENOSINE KINASE

(Anopheles
gambiae) 		PF00294
(PfkB) 		5 PHE A  85
GLY A 120
THR A 119
ALA A 139
ALA A 138
 None
 1.05A 2ej3B-3looA:
undetectable		 2ej3B-3looA:
24.87
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.
3nbm PTS SYSTEM,
LACTOSE-SPECIFIC
IIBC COMPONENTS

(Streptococcus
pneumoniae) 		PF02302
(PTS_IIB) 		5 TYR A 538
GLY A 491
GLY A 466
THR A 467
ALA A 469
 None
 1.13A 2ej3B-3nbmA:
undetectable		 2ej3B-3nbmA:
18.18
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.
3ngf AP ENDONUCLEASE,
FAMILY 2

(Brucella
abortus) 		PF01261
(AP_endonuc_2) 		5 GLY A  64
GLU A  70
GLY A  69
ALA A  67
ALA A  68
 None
 1.15A 2ej3B-3ngfA:
undetectable		 2ej3B-3ngfA:
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.
3o04 BETA-KETO-ACYL
CARRIER PROTEIN
SYNTHASE II

(Listeria
monocytogenes) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 GLY A 172
GLY A 261
THR A 405
ALA A 404
ALA A 262
 None
 0.94A 2ej3B-3o04A:
undetectable		 2ej3B-3o04A:
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.
3oyt 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE I

(Yersinia pestis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 GLY A 172
GLY A 262
THR A 399
ALA A 398
ALA A 263
 None
 0.93A 2ej3B-3oytA:
undetectable		 2ej3B-3oytA:
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.
3rd5 MYPAA.01249.C

(Mycobacterium
avium) 		PF00106
(adh_short) 		5 GLY A  21
GLY A  27
THR A  30
ALA A  31
ALA A  28
 None
 1.05A 2ej3B-3rd5A:
undetectable		 2ej3B-3rd5A:
22.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tqi GMP SYNTHASE
[GLUTAMINE-HYDROLYZI
NG]

(Coxiella
burnetii) 		PF00117
(GATase)
PF00958
(GMP_synt_C)
PF02540
(NAD_synthase) 		5 PHE A 319
GLY A 236
THR A 243
ALA A 244
ALA A 241
 None
 1.16A 2ej3B-3tqiA:
undetectable		 2ej3B-3tqiA:
20.11
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.
3u0f BETA-KETOACYL
SYNTHASE

(Brucella
abortus) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 GLY A 169
GLY A 259
THR A 399
ALA A 398
ALA A 260
 None
 0.94A 2ej3B-3u0fA:
undetectable		 2ej3B-3u0fA:
22.09
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.
3uzb BRANCHED-CHAIN-AMINO
-ACID
AMINOTRANSFERASE

(Deinococcus
radiodurans) 		PF01063
(Aminotran_4) 		8 PHE A  76
TYR A 143
ARG A 145
TYR A 207
GLY A 303
THR A 304
ALA A 305
ALA A 306
 COI  A1517 (-4.9A)
COI  A1517 (-4.8A)
None
COI  A1517 (-4.7A)
PLP  A 371 (-3.6A)
PLP  A 371 ( 3.7A)
COI  A1517 (-3.1A)
COI  A1517 (-4.1A)
 0.53A 2ej3B-3uzbA:
33.3		 2ej3B-3uzbA:
29.60
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.
3wks O-PHOSPHO-L-SERYL-TR
NA:CYS-TRNA SYNTHASE

(Methanocaldococcus
jannaschii) 		PF05889
(SepSecS) 		5 PHE A  82
GLY A 232
GLY A 100
THR A  98
ALA A 101
 None
LLP  A 234 ( 4.3A)
LLP  A 234 ( 3.1A)
None
LLP  A 234 ( 3.5A)
 1.11A 2ej3B-3wksA:
undetectable		 2ej3B-3wksA:
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.
4c51 CATALASE-PEROXIDASE

(Mycobacterium
tuberculosis) 		PF00141
(peroxidase) 		5 TYR A 390
GLU A 407
THR A 262
ALA A 263
ALA A 264
 None
 1.12A 2ej3B-4c51A:
undetectable		 2ej3B-4c51A:
18.41
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.
4dqn PUTATIVE
BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE
ILVE

(Streptococcus
mutans) 		PF01063
(Aminotran_4) 		8 PHE A  57
TYR A 124
ARG A 126
TYR A 189
GLY A 284
THR A 285
ALA A 286
ALA A 287
 None
 0.51A 2ej3B-4dqnA:
33.7		 2ej3B-4dqnA:
27.93
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.
4dzj GENE 1 PROTEIN

(Shigella virus
Sf6) 		no annotation 5 TYR A  60
GLY A  28
THR A  64
ALA A  63
ALA A  66
 None
 1.10A 2ej3B-4dzjA:
undetectable		 2ej3B-4dzjA:
18.39
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.
4ecf ABC-TYPE PHOSPHATE
TRANSPORT SYSTEM,
PERIPLASMIC
COMPONENT

(Lactobacillus
brevis) 		PF12849
(PBP_like_2) 		5 TYR A 201
GLY A 159
GLY A 161
THR A 162
ALA A 164
 None
None
PO4  A 300 (-3.6A)
PO4  A 300 (-3.5A)
None
 1.07A 2ej3B-4ecfA:
undetectable		 2ej3B-4ecfA:
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.
4gkl ALPHA-AMYLASE

(Thermotoga
neapolitana) 		PF00128
(Alpha-amylase) 		5 GLY A  54
GLY A  51
THR A  50
ALA A  64
ALA A 105
 None
 0.96A 2ej3B-4gklA:
undetectable		 2ej3B-4gklA:
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.
4hvl MEMBRANE-ANCHORED
MYCOSIN MYCP1

(Mycolicibacterium
thermoresistibile) 		PF00082
(Peptidase_S8) 		5 TYR A 339
GLY A 284
GLY A 282
ALA A 303
ALA A 302
 None
 1.18A 2ej3B-4hvlA:
undetectable		 2ej3B-4hvlA:
24.63
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.
4n0q LEU/ILE/VAL-BINDING
PROTEIN HOMOLOG 3

(Brucella
melitensis) 		PF13458
(Peripla_BP_6) 		5 TYR A 220
TYR A 224
GLY A 170
GLY A 175
ALA A 177
 None
LEU  A 500 (-4.8A)
None
None
None
 1.09A 2ej3B-4n0qA:
undetectable		 2ej3B-4n0qA:
22.83
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.
4nfy D-3-PHOSPHOGLYCERATE
DEHYDROGENASE,
PUTATIVE

(Entamoeba
histolytica) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		5 ARG A 103
GLY A  77
GLY A 276
ALA A 278
ALA A 279
 None
 1.04A 2ej3B-4nfyA:
undetectable		 2ej3B-4nfyA:
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.
4o9u NAD(P)
TRANSHYDROGENASE
SUBUNIT BETA

(Thermus
thermophilus) 		PF02233
(PNTB) 		5 GLY B 215
GLY B 241
THR B 242
ALA B 239
ALA B 240
 None
 1.05A 2ej3B-4o9uB:
undetectable		 2ej3B-4o9uB:
22.71
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.
4ovd PEPTIDOGLYCAN
GLYCOSYLTRANSFERASE

(Atopobium
parvulum) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer) 		5 TYR A 435
GLY A 499
GLY A 487
ALA A 553
ALA A 490
 None
 1.18A 2ej3B-4ovdA:
undetectable		 2ej3B-4ovdA:
20.80
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.
4pr3 5'-METHYLTHIOADENOSI
NE NUCLEOSIDASE /
S-ADENOSYLHOMOCYSTEI
NE NUCLEOSIDASE

(Brucella
melitensis) 		PF01048
(PNP_UDP_1) 		5 GLY A  35
GLU A 145
GLY A  33
ALA A  15
ALA A  14
 None
 1.07A 2ej3B-4pr3A:
undetectable		 2ej3B-4pr3A:
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.
4q65 DIPEPTIDE PERMEASE D

(Escherichia
coli) 		PF00854
(PTR2) 		5 TYR A  35
GLY A  94
GLY A 172
ALA A 174
ALA A 175
 None
 1.10A 2ej3B-4q65A:
undetectable		 2ej3B-4q65A:
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.
4qi6 CELLOBIOSE
DEHYDROGENASE

(Crassicarpon
hotsonii) 		PF00732
(GMC_oxred_N)
PF00734
(CBM_1)
PF05199
(GMC_oxred_C)
PF16010
(CDH-cyt) 		5 PHE A 458
ARG A 459
GLY A 311
GLY A 315
ALA A 319
 None
 1.15A 2ej3B-4qi6A:
undetectable		 2ej3B-4qi6A:
16.71
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.
4u39 CELL DIVISION
PROTEIN FTSZ

(Bacillus
subtilis) 		PF00091
(Tubulin)
PF12327
(FtsZ_C) 		5 GLY A  18
GLY A 110
THR A 109
ALA A 113
ALA A 114
 None
PO4  A 401 (-3.8A)
PO4  A 401 (-4.1A)
None
None
 1.01A 2ej3B-4u39A:
undetectable		 2ej3B-4u39A:
24.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4whx BRANCHED-CHAIN-AMINO
-ACID TRANSAMINASE

(Burkholderia
pseudomallei) 		PF01063
(Aminotran_4) 		10 PHE A  38
TYR A  98
ARG A 100
TYR A 166
GLY A 198
GLU A 199
GLY A 257
THR A 258
ALA A 259
ALA A 260
 LLP  A 161 ( 4.4A)
ALA  A 401 (-4.3A)
ALA  A 401 ( 4.6A)
LLP  A 161 ( 4.2A)
ALA  A 401 (-4.0A)
None
LLP  A 161 ( 3.4A)
LLP  A 161 (-3.6A)
ALA  A 401 (-3.4A)
None
 0.31A 2ej3B-4whxA:
42.5		 2ej3B-4whxA:
51.96
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.
4xox 3-OXOACYL-ACP
SYNTHASE

(Vibrio cholerae) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 GLY A 169
GLY A 259
THR A 395
ALA A 394
ALA A 260
 None
 0.95A 2ej3B-4xoxA:
undetectable		 2ej3B-4xoxA:
25.82
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.
4xyb FORMATE
DEHYDROGENASE

(Granulicella
mallensis) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		5 PHE A  99
GLY A 348
THR A 349
ALA A 346
ALA A 347
 AZI  A 402 ( 4.3A)
None
None
None
None
 0.89A 2ej3B-4xybA:
undetectable		 2ej3B-4xybA:
24.26
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.
4ztk CELL DIVISION
PROTEIN
FTSI/PENICILLIN
BINDING PROTEIN 2

(Legionella
pneumophila) 		PF00905
(Transpeptidase) 		5 TYR A 516
GLY A 567
GLY A 555
ALA A 620
ALA A 558
 None
 1.14A 2ej3B-4ztkA:
undetectable		 2ej3B-4ztkA:
21.55
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.
5a8r METHYL-COENZYME M
REDUCTASE II SUBUNIT
ALPHA

(Methanothermobacter
marburgensis) 		PF02249
(MCR_alpha)
PF02745
(MCR_alpha_N) 		5 GLY A 485
GLU A 489
THR A 337
ALA A 338
ALA A 339
 None
None
None
MGN  A 402 ( 3.7A)
None
 1.03A 2ej3B-5a8rA:
undetectable		 2ej3B-5a8rA:
20.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ce8 BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE

(Thermoproteus
uzoniensis) 		PF01063
(Aminotran_4) 		10 PHE A  31
TYR A  91
ARG A  93
TYR A 155
GLY A 187
GLU A 188
GLY A 247
THR A 248
ALA A 249
ALA A 250
 None
None
None
PLP  A 301 (-3.9A)
PLP  A 301 ( 4.3A)
None
PLP  A 301 ( 3.7A)
PLP  A 301 (-3.5A)
None
None
 0.40A 2ej3B-5ce8A:
40.5		 2ej3B-5ce8A:
43.40
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.
5cmn LATROPHILIN-3

(Homo sapiens) 		PF02191
(OLF) 		5 TYR E 363
GLY E 208
GLY E 156
ALA E 365
ALA E 366
 None
 1.04A 2ej3B-5cmnE:
undetectable		 2ej3B-5cmnE:
22.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5e25 BRANCHED-CHAIN
AMINOTRANSFERASE

(Geoglobus
acetivorans) 		PF01063
(Aminotran_4) 		9 PHE A  34
TYR A  89
ARG A  91
TYR A 156
GLY A 188
GLY A 247
THR A 248
ALA A 249
ALA A 250
 AKG  A 302 (-4.9A)
AKG  A 302 (-4.3A)
AKG  A 302 ( 4.1A)
PLP  A 301 (-4.3A)
PLP  A 301 ( 4.0A)
PLP  A 301 (-3.4A)
PLP  A 301 ( 3.7A)
AKG  A 302 (-3.6A)
None
 0.39A 2ej3B-5e25A:
38.7		 2ej3B-5e25A:
41.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5iz4 PUTATIVE SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE

(Paraburkholderia
xenovorans) 		PF13561
(adh_short_C2) 		5 GLY A  36
GLY A  19
THR A  22
ALA A  23
ALA A  20
 None
 1.13A 2ej3B-5iz4A:
undetectable		 2ej3B-5iz4A:
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.
5k8b 8-AMINO-3,8-DIDEOXY-
ALPHA-D-MANNO-OCTULO
SONATE TRANSAMINASE

(Shewanella
oneidensis) 		PF01041
(DegT_DnrJ_EryC1) 		5 GLY A 193
GLY A  61
THR A  62
ALA A  63
ALA A  64
 None
PDG  A 501 (-3.4A)
PDG  A 501 (-3.7A)
None
None
 0.83A 2ej3B-5k8bA:
undetectable		 2ej3B-5k8bA:
22.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mqz PUTATIVE
BRANCHED-CHAIN-AMINO
-ACID
AMINOTRANSFERASE

(Archaeoglobus
fulgidus) 		no annotation 9 PHE A  32
TYR A  87
ARG A  89
TYR A 154
GLY A 186
GLY A 245
THR A 246
ALA A 247
ALA A 248
 LLP  A 150 ( 3.9A)
None
None
LLP  A 150 ( 4.3A)
LLP  A 150 ( 3.9A)
LLP  A 150 ( 3.4A)
LLP  A 150 ( 3.7A)
None
None
 0.36A 2ej3B-5mqzA:
39.2		 2ej3B-5mqzA:
16.61
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.
5mzs FERRIC ENTEROBACTIN
RECEPTOR

(Pseudomonas
aeruginosa) 		no annotation 5 GLY A 700
GLY A 690
THR A 705
ALA A 704
ALA A 689
 None
 0.94A 2ej3B-5mzsA:
undetectable		 2ej3B-5mzsA:
15.12
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.
5n8p S-LAYER PROTEIN

(Caulobacter
vibrioides) 		PF00353
(HemolysinCabind) 		5 PHE A 834
GLY A 820
GLY A 817
THR A 816
ALA A 790
 None
 1.17A 2ej3B-5n8pA:
undetectable		 2ej3B-5n8pA:
14.14
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.
5n97 S-LAYER PROTEIN RSAA

(Caulobacter
vibrioides) 		PF00353
(HemolysinCabind) 		5 PHE A 834
GLY A 820
GLY A 817
THR A 816
ALA A 790
 None
 1.17A 2ej3B-5n97A:
undetectable		 2ej3B-5n97A:
15.58
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.
5ncc FATTY ACID
PHOTODECARBOXYLASE

(Chlorella
variabilis) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 GLY A 342
GLY A  92
THR A  93
ALA A  94
ALA A  95
 FAD  A 701 (-3.2A)
FAD  A 701 (-3.3A)
FAD  A 701 (-3.1A)
FAD  A 701 (-3.6A)
None
 0.93A 2ej3B-5nccA:
undetectable		 2ej3B-5nccA:
20.62
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.
5u3f BRANCHED-CHAIN-AMINO
-ACID
AMINOTRANSFERASE

(Mycobacterium
tuberculosis) 		PF01063
(Aminotran_4) 		8 PHE A  77
TYR A 144
ARG A 146
TYR A 209
GLY A 243
GLY A 313
THR A 314
ALA A 315
 None
7TS  A 400 (-4.6A)
None
7TS  A 400 (-4.3A)
7TS  A 400 (-3.4A)
7TS  A 400 (-3.6A)
7TS  A 400 (-3.6A)
None
 0.41A 2ej3B-5u3fA:
33.3		 2ej3B-5u3fA:
29.97
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.
5u3f BRANCHED-CHAIN-AMINO
-ACID
AMINOTRANSFERASE

(Mycobacterium
tuberculosis) 		PF01063
(Aminotran_4) 		8 PHE A  77
TYR A 144
ARG A 146
TYR A 209
GLY A 313
THR A 314
ALA A 315
ALA A 316
 None
7TS  A 400 (-4.6A)
None
7TS  A 400 (-4.3A)
7TS  A 400 (-3.6A)
7TS  A 400 (-3.6A)
None
None
 0.68A 2ej3B-5u3fA:
33.3		 2ej3B-5u3fA:
29.97
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.
5u84 ACID CERAMIDASE

(Balaenoptera
acutorostrata) 		no annotation 5 TYR A 370
GLY A 209
THR A 212
ALA A 202
ALA A 201
 None
 1.05A 2ej3B-5u84A:
undetectable		 2ej3B-5u84A:
13.76
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.
5vye L-THREONINE ALDOLASE

(Pseudomonas
putida) 		no annotation 5 GLY A 213
GLY A  64
THR A  65
ALA A  66
ALA A  67
 None
PLR  A 401 (-2.8A)
PLR  A 401 (-3.8A)
None
None
 0.67A 2ej3B-5vyeA:
undetectable		 2ej3B-5vyeA:
13.49
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.
5wx9 ETHYLENE-RESPONSIVE
TRANSCRIPTION FACTOR
ERF096

(Arabidopsis
thaliana) 		no annotation 5 ARG A 102
TYR A 109
GLY A  43
THR A  44
ALA A  28
 None
 1.09A 2ej3B-5wx9A:
undetectable		 2ej3B-5wx9A:
18.18
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.
5ys3 SUCCINATE-ACETATE
PERMEASE

(Citrobacter
koseri) 		no annotation 5 PHE A 109
GLY A  65
GLU A  57
GLY A  54
ALA A  53
 None
ACT  A 204 (-3.6A)
None
None
None
 1.15A 2ej3B-5ys3A:
undetectable		 2ej3B-5ys3A:
13.68
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.
6cfw MBH SUBUNIT
MONOVALENT CATION/H+
ANTIPORTER SUBUNIT B

(Pyrococcus
furiosus) 		no annotation 5 GLY D  75
GLY F  47
THR F  44
ALA F  43
ALA F  46
 None
 1.07A 2ej3B-6cfwD:
undetectable		 2ej3B-6cfwD:
16.90
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.
6fwf NITRIC-OXIDE
REDUCTASE

(Neisseria
meningitidis) 		no annotation 5 PHE A 531
TYR A 642
GLY A 612
GLY A 607
ALA A 637
 None
HEM  A1001 (-3.9A)
HEM  A1001 (-3.2A)
None
HEM  A1001 (-3.8A)
 1.11A 2ej3B-6fwfA:
undetectable		 2ej3B-6fwfA:
14.66