SIMILAR PATTERNS OF AMINO ACIDS FOR 2EJ3_C_GBNC1414_1

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
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) 		8 TYR A  95
ARG A  97
GLY A 196
GLU A 197
GLY A 256
THR A 257
ALA A 258
ALA A 259
 None
None
PLP  A 413 (-3.9A)
None
PLP  A 413 ( 3.9A)
PLP  A 413 (-3.4A)
None
None
 0.49A 2ej3C-1a3gA:
40.0		 2ej3C-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.
1a4s BETAINE ALDEHYDE
DEHYDROGENASE

(Gadus morhua) 		PF00171
(Aldedh) 		5 TYR A 453
GLY A 450
THR A 451
ALA A 429
ALA A 449
 None
 1.39A 2ej3C-1a4sA:
undetectable		 2ej3C-1a4sA:
23.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1b65 PROTEIN
(AMINOPEPTIDASE)

(Ochrobactrum
anthropi) 		PF03576
(Peptidase_S58) 		5 GLY A 196
GLU A 177
GLY A 178
ALA A 343
ALA A 342
 None
 1.21A 2ej3C-1b65A:
undetectable		 2ej3C-1b65A:
21.74
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.
1biy LACTOFERRIN

(Bubalus bubalis) 		PF00405
(Transferrin) 		5 TYR A 433
GLY A 525
GLY A 466
THR A 464
ALA A 465
 FE  A 691 (-4.2A)
None
CO3  A 693 (-3.5A)
CO3  A 693 (-4.3A)
CO3  A 693 (-3.5A)
 1.38A 2ej3C-1biyA:
0.0		 2ej3C-1biyA:
20.26
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.
1c2o ACETYLCHOLINESTERASE

(Electrophorus
electricus) 		PF00135
(COesterase) 		5 GLU A 202
GLY A 230
THR A 231
ALA A 207
ALA A 206
 None
 1.17A 2ej3C-1c2oA:
0.4		 2ej3C-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.
1c8n COAT PROTEIN

(unidentified
tobacco
necrosis virus) 		PF00729
(Viral_coat) 		4 GLY A 221
THR A 222
ALA A 223
ALA A 224
 None
 0.41A 2ej3C-1c8nA:
undetectable		 2ej3C-1c8nA:
23.10
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.
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
 1.14A 2ej3C-1cg2A:
0.0		 2ej3C-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.
1d4e FLAVOCYTOCHROME C
FUMARATE REDUCTASE

(Shewanella
oneidensis) 		PF00890
(FAD_binding_2)
PF14537
(Cytochrom_c3_2) 		5 TYR A 434
GLY A 169
GLY A 251
ALA A 430
ALA A 250
 HEM  A 601 (-4.3A)
FUM  A 700 ( 3.0A)
None
HEM  A 601 ( 3.8A)
None
 1.31A 2ej3C-1d4eA:
undetectable		 2ej3C-1d4eA:
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.
1d6s O-ACETYLSERINE
SULFHYDRYLASE

(Salmonella
enterica) 		PF00291
(PALP) 		5 GLY A 270
GLY A 274
THR A 257
ALA A 254
ALA A 275
 None
 1.38A 2ej3C-1d6sA:
undetectable		 2ej3C-1d6sA:
21.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1dgj ALDEHYDE
OXIDOREDUCTASE

(Desulfovibrio
desulfuricans) 		PF00111
(Fer2)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2) 		5 TYR A 537
GLU A 495
GLY A 531
ALA A 533
ALA A 532
 None
None
None
2MO  A 910 ( 3.8A)
None
 1.34A 2ej3C-1dgjA:
undetectable		 2ej3C-1dgjA:
16.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1e6y METHYL-COENZYME M
REDUCTASE SUBUNIT
ALPHA

(Methanosarcina
barkeri) 		PF02249
(MCR_alpha)
PF02745
(MCR_alpha_N) 		4 GLY A1503
THR A1348
ALA A1349
ALA A1350
 None
 0.52A 2ej3C-1e6yA:
undetectable		 2ej3C-1e6yA:
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.
1ekj BETA-CARBONIC
ANHYDRASE

(Pisum sativum) 		PF00484
(Pro_CA) 		5 GLU A 204
GLY A 200
THR A 199
ALA A 202
ALA A 201
 None
None
CL  A2007 (-4.1A)
None
None
 1.40A 2ej3C-1ekjA:
undetectable		 2ej3C-1ekjA:
21.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1fcd FLAVOCYTOCHROME C
SULFIDE
DEHYDROGENASE
(FLAVIN-BINDING
SUBUNIT)

(Allochromatium
vinosum) 		PF07992
(Pyr_redox_2)
PF09242
(FCSD-flav_bind) 		4 GLY A   9
THR A  16
ALA A  17
ALA A  18
 FAD  A 699 (-3.5A)
None
None
None
 0.48A 2ej3C-1fcdA:
undetectable		 2ej3C-1fcdA:
20.90
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.
1fch PEROXISOMAL
TARGETING SIGNAL 1
RECEPTOR

(Homo sapiens) 		PF13374
(TPR_10)
PF13432
(TPR_16) 		4 GLY A 458
THR A 475
ALA A 476
ALA A 477
 None
 0.56A 2ej3C-1fchA:
undetectable		 2ej3C-1fchA:
24.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1g68 BETA-LACTAMASE PSE-4

(Pseudomonas
aeruginosa) 		PF13354
(Beta-lactamase2) 		5 GLY A 172
GLY A 242
THR A 268
ALA A 266
ALA A 243
 None
 1.45A 2ej3C-1g68A:
undetectable		 2ej3C-1g68A:
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.
1itk CATALASE-PEROXIDASE

(Haloarcula
marismortui) 		PF00141
(peroxidase) 		5 TYR A 381
ARG A 238
THR A 251
ALA A 252
ALA A 253
 None
 1.40A 2ej3C-1itkA:
undetectable		 2ej3C-1itkA:
19.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1j8m SIGNAL RECOGNITION
54 KDA PROTEIN

(Acidianus
ambivalens) 		PF00448
(SRP54)
PF02881
(SRP54_N) 		5 TYR F 229
GLY F 266
THR F 265
ALA F 264
ALA F 263
 None
 1.39A 2ej3C-1j8mF:
undetectable		 2ej3C-1j8mF:
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.
1jnf SEROTRANSFERRIN

(Oryctolagus
cuniculus) 		PF00405
(Transferrin) 		5 TYR A 425
GLY A 513
GLY A 458
THR A 456
ALA A 457
 FE  A 703 ( 4.1A)
None
CO3  A 701 (-4.0A)
CO3  A 701 (-4.2A)
CO3  A 701 (-3.5A)
 1.27A 2ej3C-1jnfA:
undetectable		 2ej3C-1jnfA:
19.85
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.
1kq0 METHIONINE
AMINOPEPTIDASE 2

(Homo sapiens) 		PF00557
(Peptidase_M24) 		4 GLY A 301
GLY A 287
THR A 284
ALA A 283
 None
 0.54A 2ej3C-1kq0A:
undetectable		 2ej3C-1kq0A:
21.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kt8 BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE,
MITOCHONDRIAL

(Homo sapiens) 		PF01063
(Aminotran_4) 		5 TYR A 141
ARG A 143
GLY A 312
THR A 313
ALA A 314
 ILP  A 400 (-4.5A)
None
ILP  A 400 (-3.5A)
ILP  A 400 (-3.6A)
ILP  A 400 ( 4.7A)
 0.52A 2ej3C-1kt8A:
30.5		 2ej3C-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.
1l5x SURVIVAL PROTEIN E

(Pyrobaculum
aerophilum) 		PF01975
(SurE) 		5 TYR A  54
GLY A  10
THR A  66
ALA A  65
ALA A  33
 None
 1.40A 2ej3C-1l5xA:
undetectable		 2ej3C-1l5xA:
23.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1l6w FRUCTOSE-6-PHOSPHATE
ALDOLASE 1

(Escherichia
coli) 		PF00923
(TAL_FSA) 		5 TYR A 131
GLY A 117
GLY A 108
THR A 109
ALA A 129
 GOL  A 250 (-4.0A)
None
None
GOL  A 250 ( 4.8A)
GOL  A 250 ( 4.1A)
 1.40A 2ej3C-1l6wA:
undetectable		 2ej3C-1l6wA:
21.64
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.
1lm7 SUBDOMAIN OF
DESMOPLAKIN
CARBOXY-TERMINAL
DOMAIN (DPCT)

(Homo sapiens) 		PF00681
(Plectin) 		5 GLU A2333
GLY A2299
THR A2298
ALA A2297
ALA A2296
 None
 1.31A 2ej3C-1lm7A:
undetectable		 2ej3C-1lm7A:
20.38
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.
1lrz FACTOR ESSENTIAL FOR
EXPRESSION OF
METHICILLIN
RESISTANCE

(Staphylococcus
aureus) 		PF02388
(FemAB) 		5 TYR A 225
ARG A 205
GLY A 331
GLY A 316
ALA A 329
 None
 1.49A 2ej3C-1lrzA:
undetectable		 2ej3C-1lrzA:
20.86
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.
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 2ej3C-1mroA:
undetectable		 2ej3C-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.
1n76 LACTOFERRIN

(Homo sapiens) 		PF00405
(Transferrin) 		5 TYR A 435
GLY A 527
GLY A 468
THR A 466
ALA A 467
 FE  A 694 ( 4.1A)
None
CO3  A 696 (-4.2A)
CO3  A 696 ( 4.7A)
CO3  A 696 (-3.4A)
 1.34A 2ej3C-1n76A:
undetectable		 2ej3C-1n76A:
18.79
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.
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
 1.14A 2ej3C-1nu5A:
undetectable		 2ej3C-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.
1ovm INDOLE-3-PYRUVATE
DECARBOXYLASE

(Enterobacter
cloacae) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		4 GLY A 104
THR A 105
ALA A 106
ALA A 107
 None
 0.42A 2ej3C-1ovmA:
undetectable		 2ej3C-1ovmA:
20.32
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.
1oyw ATP-DEPENDENT DNA
HELICASE

(Escherichia
coli) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF09382
(RQC)
PF16124
(RecQ_Zn_bind) 		5 TYR A 215
ARG A 382
GLY A 328
THR A 324
ALA A 336
 None
 1.19A 2ej3C-1oywA:
undetectable		 2ej3C-1oywA:
23.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1p9w GENERAL SECRETION
PATHWAY PROTEIN E

(Vibrio cholerae) 		PF00437
(T2SSE) 		5 ARG A 472
GLY A 365
THR A 362
ALA A 363
ALA A 366
 None
 1.30A 2ej3C-1p9wA:
undetectable		 2ej3C-1p9wA:
23.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 1.01A 2ej3C-1qjmA:
undetectable		 2ej3C-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.
1suv SEROTRANSFERRIN,
C-LOBE

(Homo sapiens) 		PF00405
(Transferrin) 		5 TYR E 425
GLY E 513
GLY E 458
THR E 456
ALA E 457
 FE  E 703 ( 4.1A)
None
CO3  E 701 (-4.0A)
CO3  E 701 (-4.2A)
CO3  E 701 (-3.5A)
 1.27A 2ej3C-1suvE:
undetectable		 2ej3C-1suvE:
20.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1u2v ARP2/3 COMPLEX 16KDA
SUBUNIT

(Bos taurus) 		PF04699
(P16-Arc) 		4 GLY G  49
THR G  52
ALA G  53
ALA G  54
 None
 0.50A 2ej3C-1u2vG:
undetectable		 2ej3C-1u2vG:
20.13
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.
1v3t LEUKOTRIENE B4
12-HYDROXYDEHYDROGEN
ASE/PROSTAGLANDIN
15-KETO REDUCTASE

(Cavia porcellus) 		PF00107
(ADH_zinc_N)
PF16884
(ADH_N_2) 		5 TYR A 181
GLY A 159
GLY A 155
ALA A 151
ALA A 150
 None
 1.38A 2ej3C-1v3tA:
undetectable		 2ej3C-1v3tA:
24.59
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.
1vax URIC ACID OXIDASE

(Arthrobacter
globiformis) 		PF01014
(Uricase) 		5 ARG A 107
GLY A 149
THR A 134
ALA A 135
ALA A 148
 None
 1.48A 2ej3C-1vaxA:
undetectable		 2ej3C-1vaxA:
20.06
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.
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
 0.75A 2ej3C-1vjoA:
undetectable		 2ej3C-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
 1.17A 2ej3C-1w52X:
undetectable		 2ej3C-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.
1woy METHIONYL-TRNA
SYNTHETASE

(Thermus
thermophilus) 		PF00133
(tRNA-synt_1)
PF09334
(tRNA-synt_1g) 		5 TYR A  57
GLU A  65
GLY A  64
ALA A  60
ALA A  63
 None
 1.29A 2ej3C-1woyA:
undetectable		 2ej3C-1woyA:
21.36
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.
1xp3 ENDONUCLEASE IV

(Bacillus
anthracis) 		PF01261
(AP_endonuc_2) 		5 TYR A 189
GLY A 156
GLY A 150
ALA A 187
ALA A 149
 None
 1.41A 2ej3C-1xp3A:
undetectable		 2ej3C-1xp3A:
22.92
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.
1ybe NICOTINATE
PHOSPHORIBOSYLTRANSF
ERASE

(Agrobacterium
tumefaciens) 		PF04095
(NAPRTase) 		5 GLY A 430
GLY A 293
THR A 294
ALA A 295
ALA A 296
 None
 1.40A 2ej3C-1ybeA:
undetectable		 2ej3C-1ybeA:
21.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yoc HYPOTHETICAL PROTEIN
PA1835

(Pseudomonas
aeruginosa) 		PF14539
(DUF4442) 		5 GLU A  69
GLY A  73
THR A  74
ALA A  71
ALA A  72
 None
 1.36A 2ej3C-1yocA:
undetectable		 2ej3C-1yocA:
20.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zc6 PROBABLE
N-ACETYLGLUCOSAMINE
KINASE

(Chromobacterium
violaceum) 		PF01869
(BcrAD_BadFG) 		4 GLY A 151
GLY A 132
THR A 131
ALA A 161
 None
 0.57A 2ej3C-1zc6A:
undetectable		 2ej3C-1zc6A:
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.
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
 0.94A 2ej3C-1zk7A:
1.4		 2ej3C-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.
1zk7 MERCURIC REDUCTASE

(Pseudomonas
aeruginosa) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 GLY A 308
GLY A 324
THR A 325
ALA A 322
ALA A 323
 FAD  A 666 (-3.2A)
None
SO4  A2001 (-4.6A)
SO4  A2001 (-3.4A)
None
 1.43A 2ej3C-1zk7A:
1.4		 2ej3C-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.
1zxo CONSERVED
HYPOTHETICAL PROTEIN
Q8A1P1

(Bacteroides
thetaiotaomicron) 		no annotation 4 GLY A 136
GLY A 117
THR A 116
ALA A 146
 None
 0.53A 2ej3C-1zxoA:
undetectable		 2ej3C-1zxoA:
23.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2abj BRANCHED-CHAIN-AMINO
-ACID
AMINOTRANSFERASE,
CYTOSOLIC

(Homo sapiens) 		PF01063
(Aminotran_4) 		5 TYR A 159
ARG A 161
GLY A 330
THR A 331
ALA A 332
 CBC  A1401 (-4.3A)
CBC  A1401 ( 4.8A)
CBC  A1401 ( 3.4A)
PLP  A 420 ( 3.6A)
CBC  A1401 (-3.3A)
 0.33A 2ej3C-2abjA:
30.9		 2ej3C-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.
2adu METHIONINE
AMINOPEPTIDASE 2

(Homo sapiens) 		PF00557
(Peptidase_M24) 		4 GLY A 301
GLY A 287
THR A 284
ALA A 283
 None
 0.52A 2ej3C-2aduA:
0.9		 2ej3C-2aduA:
23.72
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.
2c0l PEROXISOMAL
TARGETING SIGNAL 1
RECEPTOR

(Homo sapiens) 		PF00515
(TPR_1)
PF13432
(TPR_16) 		4 GLY A 495
THR A 512
ALA A 513
ALA A 514
 None
 0.50A 2ej3C-2c0lA:
undetectable		 2ej3C-2c0lA:
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.
2cdu NADPH OXIDASE

(Lactobacillus
sanfranciscensis) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 TYR A  62
GLY A   7
GLY A  12
THR A  13
ALA A  11
 None
FAD  A 500 (-3.2A)
None
None
FAD  A 500 (-3.5A)
 1.40A 2ej3C-2cduA:
undetectable		 2ej3C-2cduA:
24.57
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.
2d3i OVOTRANSFERRIN

(Gallus gallus) 		PF00405
(Transferrin) 		5 TYR A 431
GLY A 523
GLY A 463
THR A 461
ALA A 462
 AL  A 689 ( 4.2A)
None
BCT  A 690 (-3.9A)
BCT  A 690 (-4.3A)
BCT  A 690 (-3.2A)
 1.33A 2ej3C-2d3iA:
undetectable		 2ej3C-2d3iA:
16.28
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.
2d52 PENTAKETIDE CHROMONE
SYNTHASE

(Aloe
arborescens) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		5 TYR A 360
GLY A  36
THR A  37
ALA A 233
ALA A 234
 None
 1.47A 2ej3C-2d52A:
undetectable		 2ej3C-2d52A:
22.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2eb5 2-OXO-HEPT-3-ENE-1,7
-DIOATE HYDRATASE

(Escherichia
coli) 		PF01557
(FAA_hydrolase) 		5 ARG A 104
GLY A  63
THR A 161
ALA A 167
ALA A 166
 None
OXL  A2001 ( 3.3A)
None
None
None
 1.48A 2ej3C-2eb5A:
undetectable		 2ej3C-2eb5A:
21.79
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) 		8 TYR A  95
ARG A  97
GLY A 196
GLU A 197
GLY A 255
THR A 256
ALA A 257
ALA A 258
 None
None
PMP  A3413 (-3.7A)
None
PMP  A3413 (-3.5A)
PMP  A3413 (-3.6A)
None
None
 0.30A 2ej3C-2ej0A:
48.7		 2ej3C-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.
2eyq TRANSCRIPTION-REPAIR
COUPLING FACTOR

(Escherichia
coli) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF02559
(CarD_CdnL_TRCF)
PF03461
(TRCF) 		5 TYR A   7
GLY A 354
GLU A  21
GLY A  20
ALA A 351
 None
 1.46A 2ej3C-2eyqA:
undetectable		 2ej3C-2eyqA:
15.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2few PTS SYSTEM
MANNITOL-SPECIFIC
EIICBA COMPONENT

(Escherichia
coli) 		PF00359
(PTS_EIIA_2) 		5 GLY A 103
GLY A  78
THR A  77
ALA A 106
ALA A 105
 None
 1.30A 2ej3C-2fewA:
undetectable		 2ej3C-2fewA:
21.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ftw DIHYDROPYRIMIDINE
AMIDOHYDROLASE

(Dictyostelium
discoideum) 		PF01979
(Amidohydro_1) 		5 GLU A 352
GLY A  92
THR A  94
ALA A  89
ALA A  91
 None
 1.25A 2ej3C-2ftwA:
undetectable		 2ej3C-2ftwA:
19.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gah HETEROTETRAMERIC
SARCOSINE OXIDASE
ALPHA-SUBUNIT

(Stenotrophomonas
maltophilia) 		PF01571
(GCV_T)
PF07992
(Pyr_redox_2)
PF08669
(GCV_T_C)
PF13510
(Fer2_4) 		5 TYR A 279
GLU A  71
GLY A  68
ALA A  67
ALA A  66
 None
 1.35A 2ej3C-2gahA:
undetectable		 2ej3C-2gahA:
16.93
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.
2gj4 GLYCOGEN
PHOSPHORYLASE,
MUSCLE FORM

(Oryctolagus
cuniculus) 		PF00343
(Phosphorylase) 		5 ARG A 309
GLU A 348
THR A 303
ALA A 302
ALA A 301
 None
 1.40A 2ej3C-2gj4A:
undetectable		 2ej3C-2gj4A:
17.60
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.
2gl5 PUTATIVE DEHYDRATASE
PROTEIN

(Salmonella
enterica) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 TYR A 164
GLY A 138
GLY A 140
ALA A 159
ALA A 158
 None
 1.29A 2ej3C-2gl5A:
undetectable		 2ej3C-2gl5A:
24.22
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.
2gt1 LIPOPOLYSACCHARIDE
HEPTOSYLTRANSFERASE-
1

(Escherichia
coli) 		PF01075
(Glyco_transf_9) 		4 GLY A  12
THR A 268
ALA A 269
ALA A 270
 None
 0.56A 2ej3C-2gt1A:
undetectable		 2ej3C-2gt1A:
25.14
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.
2hf7 CLASS B ACID
PHOSPHATASE

(Escherichia
coli) 		PF03767
(Acid_phosphat_B) 		4 GLY A 166
THR A 173
ALA A 174
ALA A 175
 None
 0.56A 2ej3C-2hf7A:
1.2		 2ej3C-2hf7A:
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.
2hgs PROTEIN (GLUTATHIONE
SYNTHETASE)

(Homo sapiens) 		PF03199
(GSH_synthase)
PF03917
(GSH_synth_ATP) 		5 ARG A 267
GLY A 369
GLY A 460
ALA A 462
ALA A 463
 GSH  A 503 (-3.7A)
SO4  A 505 ( 3.3A)
GSH  A 503 (-3.6A)
GSH  A 503 (-3.5A)
None
 1.47A 2ej3C-2hgsA:
undetectable		 2ej3C-2hgsA:
21.15
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.
2hqj PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE

(Leishmania
major) 		PF00160
(Pro_isomerase) 		5 ARG A 101
GLY A 106
THR A 129
ALA A 128
ALA A 127
 None
 1.31A 2ej3C-2hqjA:
undetectable		 2ej3C-2hqjA:
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.
2ibu ACETYL-COA
ACETYLTRANSFERASE

(Homo sapiens) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		4 GLY A 152
GLY A  68
THR A  65
ALA A  64
 None
 0.54A 2ej3C-2ibuA:
undetectable		 2ej3C-2ibuA:
21.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2iwz 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE

(Homo sapiens) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 GLY A 391
GLY A 235
THR A 236
ALA A 280
ALA A 281
 None
 1.38A 2ej3C-2iwzA:
undetectable		 2ej3C-2iwzA:
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.
2ntb PECTINESTERASE A

(Dickeya
dadantii) 		PF01095
(Pectinesterase) 		4 TYR A 181
GLY A 108
THR A 109
ALA A 110
 None
 0.55A 2ej3C-2ntbA:
undetectable		 2ej3C-2ntbA:
22.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2osy ENDOGLYCOCERAMIDASE
II

(Rhodococcus sp.) 		PF00150
(Cellulase) 		5 TYR A 369
GLY A 350
GLY A 378
ALA A 372
ALA A 377
 None
 1.41A 2ej3C-2osyA:
undetectable		 2ej3C-2osyA:
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.
2ppx UNCHARACTERIZED
PROTEIN ATU1735

(Agrobacterium
fabrum) 		PF01381
(HTH_3) 		4 TYR A  51
THR A  86
ALA A  87
ALA A  88
 None
 0.50A 2ej3C-2ppxA:
undetectable		 2ej3C-2ppxA:
14.52
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.
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
 1.12A 2ej3C-2pvsA:
undetectable		 2ej3C-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
 1.11A 2ej3C-2r6r1:
undetectable		 2ej3C-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.
2r6r CELL DIVISION
PROTEIN FTSZ

(Aquifex
aeolicus) 		PF00091
(Tubulin)
PF12327
(FtsZ_C) 		5 GLY 1 102
GLY 1 100
THR 1 129
ALA 1 128
ALA 1  99
 GDP  1 339 ( 4.5A)
GDP  1 339 (-3.3A)
None
None
None
 1.35A 2ej3C-2r6r1:
undetectable		 2ej3C-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.
2rch CYTOCHROME P450 74A

(Arabidopsis
thaliana) 		PF00067
(p450) 		5 TYR A 190
GLY A 210
GLY A 215
THR A 216
ALA A 217
 None
 1.48A 2ej3C-2rchA:
0.2		 2ej3C-2rchA:
21.14
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.
2rml COPPER-TRANSPORTING
P-TYPE ATPASE COPA

(Bacillus
subtilis) 		PF00403
(HMA) 		4 GLY A  56
THR A  57
ALA A  58
ALA A  59
 None
 0.55A 2ej3C-2rmlA:
undetectable		 2ej3C-2rmlA:
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.
2vcy TRANS-2-ENOYL-COA
REDUCTASE

(Homo sapiens) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A 165
GLU A 107
GLY A 108
ALA A 161
ALA A 162
 None
 1.47A 2ej3C-2vcyA:
undetectable		 2ej3C-2vcyA:
23.06
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.
2vf8 EXCINUCLEASE ABC
SUBUNIT A

(Deinococcus
radiodurans) 		PF00005
(ABC_tran) 		5 TYR A 721
ARG A 738
GLY A  43
GLY A  48
ALA A 457
 ADP  A1843 ( 4.8A)
None
None
ADP  A1843 (-3.2A)
None
 1.35A 2ej3C-2vf8A:
undetectable		 2ej3C-2vf8A:
17.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vhh CG3027-PA

(Drosophila
melanogaster) 		PF00795
(CN_hydrolase) 		5 TYR A 319
GLY A  31
GLY A 325
ALA A 321
ALA A 322
 None
 1.46A 2ej3C-2vhhA:
undetectable		 2ej3C-2vhhA:
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.
2vk2 ABC TRANSPORTER
PERIPLASMIC-BINDING
PROTEIN YTFQ

(Escherichia
coli) 		PF13407
(Peripla_BP_4) 		5 ARG A  17
GLY A 136
THR A 137
ALA A 140
ALA A 143
 GZL  A1298 (-3.9A)
None
None
None
None
 1.14A 2ej3C-2vk2A:
undetectable		 2ej3C-2vk2A:
22.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.10A 2ej3C-2vxyA:
undetectable		 2ej3C-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.
2x8u SERINE
PALMITOYLTRANSFERASE

(Sphingomonas
wittichii) 		PF00155
(Aminotran_1_2) 		4 GLY A  91
THR A 284
ALA A 285
ALA A 286
 None
 0.47A 2ej3C-2x8uA:
undetectable		 2ej3C-2x8uA:
22.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2y05 PROSTAGLANDIN
REDUCTASE 1

(Homo sapiens) 		PF00107
(ADH_zinc_N)
PF16884
(ADH_N_2) 		5 TYR A 181
GLY A 159
GLY A 155
ALA A 151
ALA A 150
 None
 1.38A 2ej3C-2y05A:
undetectable		 2ej3C-2y05A:
23.16
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.
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
 1.17A 2ej3C-2yiaA:
undetectable		 2ej3C-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.
2yzw ADP-RIBOSYLGLYCOHYDR
OLASE

(Thermus
thermophilus) 		PF03747
(ADP_ribosyl_GH) 		5 ARG A 133
GLY A 121
GLY A 125
ALA A 164
ALA A 161
 None
 1.30A 2ej3C-2yzwA:
undetectable		 2ej3C-2yzwA:
26.44
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.
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 2ej3C-2zy2A:
undetectable		 2ej3C-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.
3aal PROBABLE
ENDONUCLEASE 4

(Geobacillus
kaustophilus) 		PF01261
(AP_endonuc_2) 		5 TYR A 188
GLY A 155
GLY A 149
ALA A 186
ALA A 148
 None
 1.46A 2ej3C-3aalA:
undetectable		 2ej3C-3aalA:
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.
3aar ECTONUCLEOSIDE
TRIPHOSPHATE
DIPHOSPHOHYDROLASE I

(Legionella
pneumophila) 		PF01150
(GDA1_CD39) 		5 GLY A  84
GLY A  51
THR A 118
ALA A 117
ALA A  50
 None
ANP  A   1 ( 4.6A)
None
None
None
 1.36A 2ej3C-3aarA:
undetectable		 2ej3C-3aarA:
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.
3all 2-METHYL-3-HYDROXYPY
RIDINE-5-CARBOXYLIC
ACID OXYGENASE

(Mesorhizobium
japonicum) 		PF01494
(FAD_binding_3) 		4 GLY A  18
THR A  25
ALA A  26
ALA A  27
 FAD  A 380 (-3.3A)
None
None
None
 0.57A 2ej3C-3allA:
0.5		 2ej3C-3allA:
24.67
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.
3aoe GLUTAMATE
DEHYDROGENASE

(Thermus
thermophilus) 		no annotation 5 TYR E  18
GLY E 111
THR E  99
ALA E  96
ALA E  95
 None
 1.29A 2ej3C-3aoeE:
undetectable		 2ej3C-3aoeE:
25.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bq9 PREDICTED ROSSMANN
FOLD
NUCLEOTIDE-BINDING
DOMAIN-CONTAINING
PROTEIN

(Idiomarina
baltica) 		PF03641
(Lysine_decarbox)
PF11892
(DUF3412)
PF14793
(DUF4478) 		5 TYR A 207
GLY A 174
GLY A 196
THR A 194
ALA A 193
 None
 1.29A 2ej3C-3bq9A:
undetectable		 2ej3C-3bq9A:
21.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cdx SUCCINYLGLUTAMATEDES
UCCINYLASE/ASPARTOAC
YLASE

(Rhodobacter
sphaeroides) 		PF04952
(AstE_AspA) 		5 ARG A 226
GLY A 256
THR A 248
ALA A 249
ALA A 255
 None
 1.40A 2ej3C-3cdxA:
undetectable		 2ej3C-3cdxA:
23.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.04A 2ej3C-3cpiG:
undetectable		 2ej3C-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.
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
 1.05A 2ej3C-3d6jA:
undetectable		 2ej3C-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.
3dm5 SIGNAL RECOGNITION
54 KDA PROTEIN

(Pyrococcus
furiosus) 		PF00448
(SRP54)
PF02881
(SRP54_N)
PF02978
(SRP_SPB) 		5 TYR A 229
GLY A 266
THR A 265
ALA A 264
ALA A 263
 None
 1.39A 2ej3C-3dm5A:
undetectable		 2ej3C-3dm5A:
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.
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
 1.07A 2ej3C-3do5A:
undetectable		 2ej3C-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) 		5 GLY A 254
GLY A 284
THR A 281
ALA A 280
ALA A 283
 None
 1.27A 2ej3C-3dtgA:
32.7		 2ej3C-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) 		6 TYR A 144
ARG A 146
GLY A 243
GLY A 313
THR A 314
ALA A 315
 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)
 0.33A 2ej3C-3dtgA:
32.7		 2ej3C-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) 		6 TYR A 144
ARG A 146
GLY A 313
THR A 314
ALA A 315
ALA A 316
 None
OBZ  A 371 (-4.2A)
PLP  A 369 (-3.6A)
PLP  A 369 (-3.5A)
OBZ  A 371 ( 4.1A)
None
 0.54A 2ej3C-3dtgA:
32.7		 2ej3C-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.
3e60 3-OXOACYL-[ACYL-CARR
IER-PROTEIN ]
SYNTHASE II

(Bartonella
henselae) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 GLY A 353
GLY A 196
THR A 197
ALA A 243
ALA A 244
 None
 1.40A 2ej3C-3e60A:
undetectable		 2ej3C-3e60A:
22.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.15A 2ej3C-3edmA:
undetectable		 2ej3C-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.
3epf PROTEIN VP1
PROTEIN VP2

(Enterovirus C) 		PF00073
(Rhv) 		5 TYR 2 192
ARG 1 272
GLY 2 181
ALA 2 189
ALA 2 186
 None
 1.42A 2ej3C-3epf2:
undetectable		 2ej3C-3epf2:
23.38
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.
3f6t ASPARTATE
AMINOTRANSFERASE

(Lactobacillus
acidophilus) 		PF00155
(Aminotran_1_2) 		4 GLY A 172
THR A 173
ALA A 174
ALA A 175
 LLP  A 312 ( 3.5A)
LLP  A 312 ( 3.6A)
None
None
 0.53A 2ej3C-3f6tA:
undetectable		 2ej3C-3f6tA:
19.34