SIMILAR PATTERNS OF AMINO ACIDS FOR 3EKP_B_478B200_1

List of similar pattern of amino acids derived from ASSAM search

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

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1bl5 ISOCITRATE
DEHYDROGENASE

(Escherichia
coli) 		PF00180
(Iso_dh) 		5 ALA A 360
VAL A  48
GLY A 354
ILE A 322
ILE A 376
 None
 1.15A 3ekpA-1bl5A:
undetectable		 3ekpA-1bl5A:
15.40
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.
1bu8 PROTEIN (PANCREATIC
LIPASE RELATED
PROTEIN 2)

(Rattus
norvegicus) 		PF00151
(Lipase)
PF01477
(PLAT) 		5 ALA A 161
VAL A 124
GLY A 150
ILE A 149
ILE A 128
 None
 1.08A 3ekpA-1bu8A:
0.0		 3ekpA-1bu8A:
14.05
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.
1bu8 PROTEIN (PANCREATIC
LIPASE RELATED
PROTEIN 2)

(Rattus
norvegicus) 		PF00151
(Lipase)
PF01477
(PLAT) 		5 GLY A 162
ALA A 161
VAL A 124
GLY A 150
ILE A 128
 None
 1.16A 3ekpA-1bu8A:
0.0		 3ekpA-1bu8A:
14.05
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.
1clw TAILSPIKE PROTEIN

(Salmonella
virus P22) 		PF09251
(PhageP22-tail) 		5 LEU A 503
ALA A 463
VAL A 455
GLY A 460
ILE A 477
 None
 1.20A 3ekpA-1clwA:
undetectable		 3ekpA-1clwA:
11.61
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.
1czi CHYMOSIN

(Bos taurus) 		PF00026
(Asp) 		5 ASP E 215
GLY E 217
VAL E 222
GLY E  76
ILE E 300
 None
 0.79A 3ekpA-1cziE:
6.4		 3ekpA-1cziE:
17.77
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.
1ee2 ALCOHOL
DEHYDROGENASE

(Equus caballus) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 LEU A 110
GLY A 315
ALA A 316
GLY A 292
ILE A 317
 None
None
None
NAD  A1100 (-3.5A)
CHD  A1150 ( 4.3A)
 1.22A 3ekpA-1ee2A:
0.0		 3ekpA-1ee2A:
12.77
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.
1ek2 EPOXIDE HYDROLASE

(Mus musculus) 		PF00561
(Abhydrolase_1)
PF13419
(HAD_2) 		5 LEU A 541
GLY A 283
ALA A 282
ILE A 276
ILE A 538
 None
 1.15A 3ekpA-1ek2A:
undetectable		 3ekpA-1ek2A:
11.52
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.
1ek6 UDP-GALACTOSE
4-EPIMERASE

(Homo sapiens) 		PF16363
(GDP_Man_Dehyd) 		5 LEU A  68
GLY A  90
ALA A  89
ILE A 164
ILE A  67
 None
NAI  A 400 (-4.1A)
NAI  A 400 (-3.7A)
None
NAI  A 400 (-3.8A)
 0.88A 3ekpA-1ek6A:
0.0		 3ekpA-1ek6A:
14.53
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.
1ekq HYDROXYETHYLTHIAZOLE
KINASE

(Bacillus
subtilis) 		PF02110
(HK) 		5 LEU A 215
ALA A 119
VAL A 204
GLY A 122
ILE A 167
 None
 1.01A 3ekpA-1ekqA:
undetectable		 3ekpA-1ekqA:
16.91
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.
1ep2 DIHYDROOROTATE
DEHYDROGENASE B
(PYRK SUBUNIT)

(Lactococcus
lactis) 		PF00175
(NAD_binding_1)
PF10418
(DHODB_Fe-S_bind) 		5 LEU B 153
GLY B 121
VAL B 150
ILE B  55
ILE B 152
 None
None
None
FAD  B 503 (-4.3A)
None
 1.13A 3ekpA-1ep2B:
0.0		 3ekpA-1ep2B:
15.91
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.
1fc9 PHOTOSYSTEM II D1
PROTEASE

(Tetradesmus
obliquus) 		PF03572
(Peptidase_S41)
PF13180
(PDZ_2) 		5 GLY A 379
ALA A 378
GLY A 431
ILE A 430
ILE A 389
 None
 1.22A 3ekpA-1fc9A:
undetectable		 3ekpA-1fc9A:
13.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1fob BETA-1,4-GALACTANASE

(Aspergillus
aculeatus) 		PF07745
(Glyco_hydro_53) 		5 GLY A  40
ALA A  39
VAL A 324
ILE A  44
ILE A 328
 None
 1.03A 3ekpA-1fobA:
undetectable		 3ekpA-1fobA:
14.11
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.
1gpe PROTEIN (GLUCOSE
OXIDASE)

(Penicillium
amagasakiense) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 GLY A 294
ALA A 293
VAL A 254
ILE A 551
ILE A 301
 FAD  A 600 ( 3.8A)
FAD  A 600 (-3.6A)
FAD  A 600 (-4.0A)
None
None
 1.06A 3ekpA-1gpeA:
undetectable		 3ekpA-1gpeA:
9.92
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.
1gpe PROTEIN (GLUCOSE
OXIDASE)

(Penicillium
amagasakiense) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 LEU A  52
GLY A  31
ALA A  30
VAL A 289
ILE A  28
 None
FAD  A 600 (-3.2A)
FAD  A 600 ( 4.8A)
None
None
 1.15A 3ekpA-1gpeA:
undetectable		 3ekpA-1gpeA:
9.92
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.
1gpe PROTEIN (GLUCOSE
OXIDASE)

(Penicillium
amagasakiense) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 LEU A  52
GLY A  31
VAL A 289
GLY A 255
ILE A  28
 None
FAD  A 600 (-3.2A)
None
None
None
 1.00A 3ekpA-1gpeA:
undetectable		 3ekpA-1gpeA:
9.92
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.
1h74 HOMOSERINE KINASE

(Methanocaldococcus
jannaschii) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C) 		5 LEU A 112
GLY A  80
GLY A  65
ILE A  48
ILE A 109
 None
 1.18A 3ekpA-1h74A:
undetectable		 3ekpA-1h74A:
14.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 LEU A  23
ASP A  25
ALA A  28
ILE A  84
ILE A  84
 A79  A 800 ( 3.8A)
A79  A 800 (-2.7A)
A79  A 800 (-3.1A)
A79  A 800 (-3.8A)
A79  A 800 (-3.6A)
 1.08A 3ekpA-1hvcA:
13.8		 3ekpA-1hvcA:
46.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 LEU A  23
ASP A  25
ALA A  28
ILE A  84
ILE A  84
 A79  A 800 ( 4.0A)
A79  A 800 (-2.8A)
A79  A 800 (-3.2A)
A79  A 800 (-3.6A)
A79  A 800 (-3.8A)
 1.10A 3ekpA-1hvcA:
13.8		 3ekpA-1hvcA:
46.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		8 LEU A  23
ASP A  25
GLY A  27
ALA A  28
VAL A  32
GLY A  49
ILE A  50
ILE A  84
 A79  A 800 ( 3.8A)
A79  A 800 (-2.7A)
A79  A 800 (-3.0A)
A79  A 800 (-3.1A)
A79  A 800 ( 4.4A)
A79  A 800 ( 3.7A)
A79  A 800 (-3.8A)
A79  A 800 (-3.6A)
 0.45A 3ekpA-1hvcA:
13.8		 3ekpA-1hvcA:
46.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		8 LEU A  23
ASP A  25
GLY A  27
ALA A  28
VAL A  32
GLY A  49
ILE A  50
ILE A  84
 A79  A 800 ( 4.0A)
A79  A 800 (-2.8A)
A79  A 800 (-3.0A)
A79  A 800 (-3.2A)
A79  A 800 ( 4.3A)
A79  A 800 (-3.4A)
A79  A 800 ( 4.0A)
A79  A 800 (-3.8A)
 0.51A 3ekpA-1hvcA:
13.8		 3ekpA-1hvcA:
46.31
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.
1ig8 HEXOKINASE PII

(Saccharomyces
cerevisiae) 		PF00349
(Hexokinase_1)
PF03727
(Hexokinase_2) 		5 LEU A  41
GLY A 399
ALA A 401
ILE A 453
ILE A 438
 None
 0.94A 3ekpA-1ig8A:
undetectable		 3ekpA-1ig8A:
11.43
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.
1j3u ASPARTASE

(Bacillus sp.
YM55-1) 		PF00206
(Lyase_1)
PF10415
(FumaraseC_C) 		5 ALA A  57
VAL A 135
GLY A  50
ILE A  82
ILE A  74
 None
 1.19A 3ekpA-1j3uA:
undetectable		 3ekpA-1j3uA:
13.60
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.
1jvb NAD(H)-DEPENDENT
ALCOHOL
DEHYDROGENASE

(Sulfolobus
solfataricus) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A 184
ALA A 187
VAL A 163
GLY A 156
ILE A 245
 None
 1.20A 3ekpA-1jvbA:
undetectable		 3ekpA-1jvbA:
15.77
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.
1kkr 3-METHYLASPARTATE
AMMONIA-LYASE

(Citrobacter
amalonaticus) 		PF05034
(MAAL_N)
PF07476
(MAAL_C) 		5 LEU A 288
GLY A 323
ALA A 322
ILE A 316
ILE A 285
 None
 1.11A 3ekpA-1kkrA:
undetectable		 3ekpA-1kkrA:
14.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kz1 6,7-DIMETHYL-8-RIBIT
YLLUMAZINE SYNTHASE

(Schizosaccharomyces
pombe) 		PF00885
(DMRL_synthase) 		5 GLY A 147
ALA A 150
GLY A  83
ILE A  84
ILE A  20
 None
 1.04A 3ekpA-1kz1A:
undetectable		 3ekpA-1kz1A:
28.15
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.
1l3i PRECORRIN-6Y
METHYLTRANSFERASE/PU
TATIVE DECARBOXYLASE

(Methanothermobacter
thermautotrophicus) 		PF13847
(Methyltransf_31) 		5 LEU A 136
GLY A 108
VAL A 179
GLY A  15
ILE A 135
 None
SAH  A 801 (-3.4A)
None
SAH  A 801 ( 3.8A)
None
 0.91A 3ekpA-1l3iA:
undetectable		 3ekpA-1l3iA:
21.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1l5j ACONITATE HYDRATASE
2

(Escherichia
coli) 		PF00330
(Aconitase)
PF06434
(Aconitase_2_N)
PF11791
(Aconitase_B_N) 		5 GLY A 721
ALA A 720
GLY A 715
ILE A 714
ILE A 707
 None
 0.95A 3ekpA-1l5jA:
undetectable		 3ekpA-1l5jA:
8.85
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.
1ldn L-LACTATE
DEHYDROGENASE

(Geobacillus
stearothermophilus) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 LEU A 321
ASP A 141
GLY A 162
ILE A 189
ILE A 287
 None
 1.15A 3ekpA-1ldnA:
undetectable		 3ekpA-1ldnA:
15.00
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.
1lk5 D-RIBOSE-5-PHOSPHATE
ISOMERASE

(Pyrococcus
horikoshii) 		PF06026
(Rib_5-P_isom_A) 		5 GLY A 101
ALA A 102
GLY A 207
ILE A  97
ILE A 179
 CL  A1001 (-3.4A)
None
None
None
None
 1.00A 3ekpA-1lk5A:
undetectable		 3ekpA-1lk5A:
20.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1lpf DIHYDROLIPOAMIDE
DEHYDROGENASE

(Pseudomonas
fluorescens) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 LEU A 236
GLY A 189
ALA A 188
ILE A 362
ILE A 238
 None
 1.16A 3ekpA-1lpfA:
undetectable		 3ekpA-1lpfA:
13.52
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.
1m0s RIBOSE-5-PHOSPHATE
ISOMERASE A

(Haemophilus
influenzae) 		PF06026
(Rib_5-P_isom_A) 		5 GLY A  97
ALA A  98
GLY A 197
ILE A  93
ILE A 169
 CIT  A 501 (-3.1A)
None
None
None
None
 1.11A 3ekpA-1m0sA:
undetectable		 3ekpA-1m0sA:
23.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1mi8 DNAB INTEIN

(Synechocystis
sp. PCC 6803) 		PF14890
(Intein_splicing) 		5 LEU A 137
ASP A 136
GLY A  -1
ALA A   1
ILE A  67
 None
 1.17A 3ekpA-1mi8A:
undetectable		 3ekpA-1mi8A:
18.90
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.
1mzh DEOXYRIBOSE-PHOSPHAT
E ALDOLASE

(Aquifex
aeolicus) 		PF01791
(DeoC) 		5 LEU A 267
ALA A 272
VAL A 278
ILE A 240
ILE A 268
 None
 1.23A 3ekpA-1mzhA:
undetectable		 3ekpA-1mzhA:
16.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1n3p LECTIN PAL

(Pterocarpus
angolensis) 		PF00139
(Lectin_legB) 		5 LEU A  51
GLY A  48
ALA A  24
ILE A  88
ILE A  50
 None
 1.14A 3ekpA-1n3pA:
undetectable		 3ekpA-1n3pA:
16.53
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.
1n60 CARBON MONOXIDE
DEHYDROGENASE LARGE
CHAIN

(Oligotropha
carboxidovorans) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		5 GLY B 276
ALA B 277
VAL B 249
GLY B 280
ILE B 245
 None
 1.20A 3ekpA-1n60B:
undetectable		 3ekpA-1n60B:
8.04
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.
1naa CELLOBIOSE
DEHYDROGENASE

(Phanerochaete
chrysosporium) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 GLY A 223
ALA A 224
VAL A 407
GLY A 305
ILE A 229
 6FA  A 801 (-3.0A)
6FA  A 801 ( 4.9A)
None
6FA  A 801 (-3.5A)
None
 1.03A 3ekpA-1naaA:
undetectable		 3ekpA-1naaA:
11.31
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.
1naa CELLOBIOSE
DEHYDROGENASE

(Phanerochaete
chrysosporium) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 LEU A 475
GLY A 467
ALA A 466
ILE A 221
ILE A 474
 None
6FA  A 801 (-3.3A)
6FA  A 801 (-3.4A)
None
None
 1.14A 3ekpA-1naaA:
undetectable		 3ekpA-1naaA:
11.31
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.
1naa CELLOBIOSE
DEHYDROGENASE

(Phanerochaete
chrysosporium) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 LEU A 475
GLY A 467
ALA A 466
ILE A 463
ILE A 474
 None
6FA  A 801 (-3.3A)
6FA  A 801 (-3.4A)
None
None
 1.09A 3ekpA-1naaA:
undetectable		 3ekpA-1naaA:
11.31
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.
1nfg D-HYDANTOINASE

(Ralstonia
pickettii) 		PF00449
(Urease_alpha)
PF01979
(Amidohydro_1) 		5 GLY A 431
ALA A 388
GLY A  22
ILE A   4
ILE A 390
 None
 1.14A 3ekpA-1nfgA:
undetectable		 3ekpA-1nfgA:
12.25
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.
1nl3 PREPROTEIN
TRANSLOCASE SECA 1
SUBUNIT

(Mycobacterium
tuberculosis) 		PF01043
(SecA_PP_bind)
PF07516
(SecA_SW)
PF07517
(SecA_DEAD) 		5 LEU A 157
GLY A 154
ALA A 168
ILE A 127
ILE A 156
 None
 1.18A 3ekpA-1nl3A:
undetectable		 3ekpA-1nl3A:
8.05
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.
1nmb N9 NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		6 LEU N 426
ASP N 460
GLY N 461
ALA N 462
GLY N 109
ILE N 108
 None
 1.30A 3ekpA-1nmbN:
undetectable		 3ekpA-1nmbN:
13.63
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.
1nvm ACETALDEHYDE
DEHYDROGENASE
(ACYLATING)

(Pseudomonas sp.
CF600) 		PF01118
(Semialdhyde_dh)
PF09290
(AcetDehyd-dimer) 		5 GLY B 192
VAL B 211
GLY B 187
ILE B 186
ILE B 155
 None
 1.06A 3ekpA-1nvmB:
undetectable		 3ekpA-1nvmB:
16.24
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.
1o5w AMINE OXIDASE
[FLAVIN-CONTAINING]
A

(Rattus
norvegicus) 		PF01593
(Amino_oxidase) 		5 GLY A 452
ALA A  28
VAL A  16
ILE A 471
ILE A 270
 None
 1.16A 3ekpA-1o5wA:
undetectable		 3ekpA-1o5wA:
12.21
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.
1o5w AMINE OXIDASE
[FLAVIN-CONTAINING]
A

(Rattus
norvegicus) 		PF01593
(Amino_oxidase) 		5 LEU A 233
ALA A  29
VAL A 238
GLY A  22
ILE A  23
 None
None
None
FAD  A 652 (-3.4A)
FAD  A 652 (-4.8A)
 0.87A 3ekpA-1o5wA:
undetectable		 3ekpA-1o5wA:
12.21
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.
1o9b HYPOTHETICAL
SHIKIMATE
5-DEHYDROGENASE-LIKE
PROTEIN YDIB

(Escherichia
coli) 		PF08501
(Shikimate_dh_N) 		5 GLY A 133
ALA A 132
VAL A 181
GLY A 140
ILE A 139
 NAI  A 301 (-3.0A)
NAI  A 301 (-4.0A)
None
None
None
 1.12A 3ekpA-1o9bA:
undetectable		 3ekpA-1o9bA:
17.82
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.
1o9b HYPOTHETICAL
SHIKIMATE
5-DEHYDROGENASE-LIKE
PROTEIN YDIB

(Escherichia
coli) 		PF08501
(Shikimate_dh_N) 		5 LEU A 129
GLY A 143
ALA A 144
GLY A 124
ILE A 151
 None
 1.18A 3ekpA-1o9bA:
undetectable		 3ekpA-1o9bA:
17.82
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.
1pix GLUTACONYL-COA
DECARBOXYLASE A
SUBUNIT

(Acidaminococcus
fermentans) 		PF01039
(Carboxyl_trans) 		5 LEU A 146
GLY A 189
ALA A 211
GLY A 252
ILE A 187
 None
 0.79A 3ekpA-1pixA:
undetectable		 3ekpA-1pixA:
11.23
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.
1pl8 HUMAN SORBITOL
DEHYDROGENASE

(Homo sapiens) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 LEU A 204
GLY A 179
GLY A 259
ILE A 256
ILE A 223
 NAD  A 400 (-4.0A)
NAD  A 400 ( 3.9A)
None
None
NAD  A 400 ( 4.0A)
 1.12A 3ekpA-1pl8A:
undetectable		 3ekpA-1pl8A:
13.96
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.
1q3s THERMOSOME ALPHA
SUBUNIT

(Thermococcus
sp. JCM 11816) 		PF00118
(Cpn60_TCP1) 		5 GLY A 411
ALA A 410
GLY A 476
ILE A 477
ILE A 494
 ADP  A1528 (-3.4A)
ADP  A1528 (-3.2A)
None
None
ADP  A1528 ( 4.1A)
 1.01A 3ekpA-1q3sA:
undetectable		 3ekpA-1q3sA:
11.19
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.
1q3x MANNAN-BINDING
LECTIN SERINE
PROTEASE 2

(Homo sapiens) 		PF00084
(Sushi)
PF00089
(Trypsin) 		5 LEU A 495
ALA A 468
GLY A 635
ILE A 652
ILE A 462
 None
 1.11A 3ekpA-1q3xA:
undetectable		 3ekpA-1q3xA:
15.55
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.
1q8r CROSSOVER JUNCTION
ENDODEOXYRIBONUCLEAS
E RUSA

(Escherichia
coli) 		PF05866
(RusA) 		5 LEU A  47
GLY A  86
ALA A  85
VAL A  38
ILE A  42
 None
 1.24A 3ekpA-1q8rA:
undetectable		 3ekpA-1q8rA:
23.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1q9p HIV-1 PROTEASE

(Homo sapiens) 		PF00077
(RVP) 		5 ASP A  25
GLY A  27
ALA A  28
VAL A  32
ILE A  84
 None
 0.48A 3ekpA-1q9pA:
10.7		 3ekpA-1q9pA:
88.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1sdd COAGULATION FACTOR V

(Bos taurus) 		PF07732
(Cu-oxidase_3) 		5 ALA A  86
VAL A  72
GLY A 160
ILE A 159
ILE A  84
 None
 1.22A 3ekpA-1sddA:
undetectable		 3ekpA-1sddA:
15.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1siv SIV PROTEASE

(Simian
immunodeficiency
virus) 		PF00077
(RVP) 		5 ASP A  25
GLY A  27
ALA A  28
GLY A  48
ILE A  84
 None
 0.68A 3ekpA-1sivA:
18.6		 3ekpA-1sivA:
48.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1siv SIV PROTEASE

(Simian
immunodeficiency
virus) 		PF00077
(RVP) 		7 LEU A  23
ASP A  25
GLY A  27
ALA A  28
GLY A  49
ILE A  50
ILE A  84
 None
 0.52A 3ekpA-1sivA:
18.6		 3ekpA-1sivA:
48.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1sq1 CHORISMATE SYNTHASE

(Campylobacter
jejuni) 		PF01264
(Chorismate_synt) 		5 LEU A 288
GLY A 275
GLY A 278
ILE A 280
ILE A 245
 None
 1.21A 3ekpA-1sq1A:
undetectable		 3ekpA-1sq1A:
16.56
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.
1svv THREONINE ALDOLASE

(Leishmania
major) 		PF01212
(Beta_elim_lyase) 		5 ASP A 183
GLY A 184
ALA A 185
GLY A  74
ILE A  72
 None
 1.12A 3ekpA-1svvA:
undetectable		 3ekpA-1svvA:
15.62
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.
1tmh TRIOSEPHOSPHATE
ISOMERASE

(Escherichia
coli) 		PF00121
(TIM) 		5 ALA A 237
VAL A 215
GLY A  10
ILE A  42
ILE A 247
 None
 1.14A 3ekpA-1tmhA:
undetectable		 3ekpA-1tmhA:
18.60
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.
1v0z NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		6 LEU A 434
ASP A 468
GLY A 469
ALA A 470
GLY A 115
ILE A 114
 None
 1.26A 3ekpA-1v0zA:
undetectable		 3ekpA-1v0zA:
11.86
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.
1v5f PYRUVATE OXIDASE

(Aerococcus
viridans) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		6 LEU A 276
GLY A 215
ALA A 214
VAL A 236
GLY A 222
ILE A 212
 None
FAD  A1601 (-2.9A)
None
None
None
None
 1.25A 3ekpA-1v5fA:
undetectable		 3ekpA-1v5fA:
10.63
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.
1veh NIFU-LIKE PROTEIN
HIRIP5

(Mus musculus) 		PF01106
(NifU) 		5 LEU A  22
GLY A  41
VAL A  14
ILE A  46
ILE A  18
 None
 1.03A 3ekpA-1vehA:
undetectable		 3ekpA-1vehA:
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.
1vkm CONSERVED
HYPOTHETICAL PROTEIN
TM1464

(Thermotoga
maritima) 		PF04227
(Indigoidine_A) 		5 GLY A  61
ALA A  49
VAL A 112
ILE A  58
ILE A 109
 None
 1.23A 3ekpA-1vkmA:
undetectable		 3ekpA-1vkmA:
17.65
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.
1vpa 2-C-METHYL-D-ERYTHRI
TOL 4-PHOSPHATE
CYTIDYLYLTRANSFERASE

(Thermotoga
maritima) 		PF01128
(IspD) 		5 ALA A  86
VAL A   3
GLY A  71
ILE A  72
ILE A   5
 None
 1.19A 3ekpA-1vpaA:
undetectable		 3ekpA-1vpaA:
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.
1vtk THYMIDINE KINASE

(Human
alphaherpesvirus
1) 		PF00693
(Herpes_TK) 		5 ASP A  55
GLY A  56
VAL A 324
GLY A 240
ILE A 203
 None
 1.21A 3ekpA-1vtkA:
undetectable		 3ekpA-1vtkA:
15.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1w33 BBCRASP-1

(Borreliella
burgdorferi) 		PF05714
(Borrelia_lipo_1) 		5 LEU A 115
ASP A 114
GLY A 111
GLY A 160
ILE A 163
 None
 1.23A 3ekpA-1w33A:
undetectable		 3ekpA-1w33A:
17.13
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.
1wlg FLAGELLAR HOOK
PROTEIN FLGE

(Salmonella
enterica) 		PF07559
(FlaE) 		5 GLY A  97
ALA A  75
GLY A 358
ILE A 293
ILE A  76
 None
 1.02A 3ekpA-1wlgA:
undetectable		 3ekpA-1wlgA:
14.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wta 5'-METHYLTHIOADENOSI
NE PHOSPHORYLASE

(Aeropyrum
pernix) 		PF01048
(PNP_UDP_1) 		5 GLY A  15
ALA A  58
VAL A  34
GLY A  87
ILE A  47
 None
 1.12A 3ekpA-1wtaA:
undetectable		 3ekpA-1wtaA:
16.46
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.
1x3l HYPOTHETICAL PROTEIN
PH0495

(Pyrococcus
horikoshii) 		PF05161
(MOFRL)
PF13660
(DUF4147) 		5 LEU A 361
GLY A 379
ALA A 348
ILE A 428
ILE A 362
 None
 1.18A 3ekpA-1x3lA:
undetectable		 3ekpA-1x3lA:
15.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xbz 3-KETO-L-GULONATE
6-PHOSPHATE
DECARBOXYLASE

(Escherichia
coli) 		PF00215
(OMPdecase) 		5 LEU A  24
ALA A 204
VAL A  29
GLY A 191
ILE A  25
 None
None
None
LX1  A 501 (-3.5A)
None
 1.17A 3ekpA-1xbzA:
undetectable		 3ekpA-1xbzA:
20.56
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.
1xog NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		6 LEU A 428
ASP A 462
GLY A 463
ALA A 464
GLY A 110
ILE A 109
 None
 1.25A 3ekpA-1xogA:
undetectable		 3ekpA-1xogA:
14.02
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.
1xtz RIBOSE-5-PHOSPHATE
ISOMERASE

(Saccharomyces
cerevisiae) 		PF06026
(Rib_5-P_isom_A) 		5 GLY A 123
ALA A 124
GLY A 235
ILE A 119
ILE A 207
 None
 1.04A 3ekpA-1xtzA:
undetectable		 3ekpA-1xtzA:
19.83
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.
1ykw RUBISCO-LIKE PROTEIN

(Chlorobaculum
tepidum) 		PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N) 		5 GLY A 193
ALA A 396
GLY A 169
ILE A 196
ILE A 399
 None
 1.23A 3ekpA-1ykwA:
undetectable		 3ekpA-1ykwA:
15.38
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.
1yv9 HYDROLASE, HALOACID
DEHALOGENASE FAMILY

(Enterococcus
faecalis) 		PF13242
(Hydrolase_like)
PF13344
(Hydrolase_6) 		5 LEU A 104
GLY A  98
GLY A 121
ILE A  94
ILE A 103
 None
 1.17A 3ekpA-1yv9A:
undetectable		 3ekpA-1yv9A:
18.75
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.
1yw6 SUCCINYLGLUTAMATE
DESUCCINYLASE

(Escherichia
coli) 		PF04952
(AstE_AspA) 		5 LEU A 184
GLY A 180
ALA A 179
GLY A 242
ILE A 243
 None
 1.12A 3ekpA-1yw6A:
undetectable		 3ekpA-1yw6A:
18.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ywk 4-DEOXY-L-THREO-5-HE
XOSULOSE-URONATE
KETOL-ISOMERASE 1

(Enterococcus
faecalis) 		PF04962
(KduI) 		5 GLY A1077
VAL A1169
GLY A1178
ILE A1254
ILE A1140
 None
 1.19A 3ekpA-1ywkA:
undetectable		 3ekpA-1ywkA:
14.88
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.
1yxy PUTATIVE
N-ACETYLMANNOSAMINE-
6-PHOSPHATE
2-EPIMERASE

(Streptococcus
pyogenes) 		PF04131
(NanE) 		5 GLY A  52
VAL A 104
GLY A 211
ILE A 212
ILE A  73
 None
 0.99A 3ekpA-1yxyA:
undetectable		 3ekpA-1yxyA:
18.88
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.
1zos 5'-METHYLTHIOADENOSI
NE /
S-ADENOSYLHOMOCYSTEI
NE NUCLEOSIDASE

(Streptococcus
pneumoniae) 		PF01048
(PNP_UDP_1) 		5 LEU A 222
GLY A  75
GLY A 175
ILE A 178
ILE A 192
 None
 1.08A 3ekpA-1zosA:
undetectable		 3ekpA-1zosA:
17.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2b2i AMMONIUM TRANSPORTER

(Archaeoglobus
fulgidus) 		PF00909
(Ammonium_transp) 		5 GLY A  29
ALA A  28
GLY A 193
ILE A 192
ILE A  40
 None
 1.10A 3ekpA-2b2iA:
undetectable		 3ekpA-2b2iA:
14.44
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.
2b3t PROTEIN
METHYLTRANSFERASE
HEMK

(Escherichia
coli) 		PF13847
(Methyltransf_31) 		5 LEU A 234
GLY A 254
ALA A 253
VAL A 218
ILE A 221
 None
 1.20A 3ekpA-2b3tA:
undetectable		 3ekpA-2b3tA:
18.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2b3x IRON-RESPONSIVE
ELEMENT BINDING
PROTEIN 1

(Homo sapiens) 		PF00330
(Aconitase)
PF00694
(Aconitase_C) 		5 LEU A 669
GLY A 672
ALA A 770
VAL A 795
GLY A 775
 None
 0.96A 3ekpA-2b3xA:
undetectable		 3ekpA-2b3xA:
7.96
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.
2bac PUTATIVE
AMINOOXIDASE

(Cutibacterium
acnes) 		PF01593
(Amino_oxidase) 		5 LEU A 418
GLY A  22
VAL A 411
GLY A  13
ILE A  12
 None
None
FAD  A 500 ( 4.3A)
FAD  A 500 (-3.2A)
FAD  A 500 ( 4.8A)
 1.06A 3ekpA-2bacA:
undetectable		 3ekpA-2bacA:
12.99
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.
2bb0 IMIDAZOLONEPROPIONAS
E

(Bacillus
subtilis) 		PF01979
(Amidohydro_1) 		5 LEU A 374
GLY A 409
VAL A  48
ILE A  65
ILE A  47
 None
 1.11A 3ekpA-2bb0A:
undetectable		 3ekpA-2bb0A:
12.14
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.
2bdv PHAGE-RELATED
CONSERVED
HYPOTHETICAL
PROTEIN, BB2244

(Bordetella
bronchiseptica) 		PF02586
(SRAP) 		5 GLY A   3
VAL A  97
GLY A 101
ILE A 121
ILE A 149
 None
 1.13A 3ekpA-2bdvA:
undetectable		 3ekpA-2bdvA:
17.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bi7 UDP-GALACTOPYRANOSE
MUTASE

(Klebsiella
pneumoniae) 		PF03275
(GLF)
PF13450
(NAD_binding_8) 		5 GLY A  12
ALA A  11
VAL A 213
GLY A  19
ILE A  18
 FAD  A1385 (-3.4A)
None
None
None
None
 1.21A 3ekpA-2bi7A:
undetectable		 3ekpA-2bi7A:
11.55
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.
2btm PROTEIN
(TRIOSEPHOSPHATE
ISOMERASE)

(Geobacillus
stearothermophilus) 		PF00121
(TIM) 		5 GLY A   7
ALA A   6
VAL A 162
GLY A 210
ILE A 123
 None
 1.07A 3ekpA-2btmA:
undetectable		 3ekpA-2btmA:
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.
2buy PROTOCATECHUATE
3,4-DIOXYGENASE
ALPHA CHAIN

(Acinetobacter
sp. ADP1) 		PF00775
(Dioxygenase_C) 		5 GLY A 134
VAL A  55
GLY A 138
ILE A 137
ILE A 189
 None
 1.15A 3ekpA-2buyA:
undetectable		 3ekpA-2buyA:
18.56
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.
2bvg 6-HYDROXY-D-NICOTINE
OXIDASE

(Paenarthrobacter
nicotinovorans) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		5 GLY A 142
ALA A 139
VAL A 198
GLY A 189
ILE A 158
 None
 1.20A 3ekpA-2bvgA:
undetectable		 3ekpA-2bvgA:
14.32
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.
2d0d 2-HYDROXY-6-OXO-7-ME
THYLOCTA-2,4-DIENOAT
E HYDROLASE

(Pseudomonas
fluorescens) 		PF00561
(Abhydrolase_1) 		5 LEU A 114
GLY A 107
ALA A 109
VAL A 120
ILE A 218
 None
 1.20A 3ekpA-2d0dA:
undetectable		 3ekpA-2d0dA:
16.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2dph FORMALDEHYDE
DISMUTASE

(Pseudomonas
putida) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		6 GLY A 174
ALA A 201
VAL A 189
GLY A 296
ILE A 297
ILE A 191
 None
 1.50A 3ekpA-2dphA:
undetectable		 3ekpA-2dphA:
15.04
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.
2e5y ATP SYNTHASE EPSILON
CHAIN

(Bacillus sp.
PS3) 		PF00401
(ATP-synt_DE)
PF02823
(ATP-synt_DE_N) 		5 ALA A  50
VAL A   8
GLY A  65
ILE A  47
ILE A  61
 None
 1.18A 3ekpA-2e5yA:
undetectable		 3ekpA-2e5yA:
19.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2e5y ATP SYNTHASE EPSILON
CHAIN

(Bacillus sp.
PS3) 		PF00401
(ATP-synt_DE)
PF02823
(ATP-synt_DE_N) 		5 LEU A  68
GLY A  65
ALA A  79
VAL A   8
ILE A  77
 None
 1.24A 3ekpA-2e5yA:
undetectable		 3ekpA-2e5yA:
19.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ewn BIRA BIFUNCTIONAL
PROTEIN

(Escherichia
coli) 		PF02237
(BPL_C)
PF03099
(BPL_LplA_LipB)
PF08279
(HTH_11) 		6 LEU A 131
GLY A 186
ALA A 185
GLY A 154
ILE A 153
ILE A 207
 None
BTX  A 501 (-3.3A)
None
None
None
None
 1.03A 3ekpA-2ewnA:
undetectable		 3ekpA-2ewnA:
18.77
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.
2f7l 455AA LONG
HYPOTHETICAL
PHOSPHO-SUGAR MUTASE

(Sulfurisphaera
tokodaii) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I)
PF02879
(PGM_PMM_II)
PF02880
(PGM_PMM_III) 		5 ASP A 341
GLY A 342
ALA A 343
VAL A 156
GLY A 184
 None
 1.11A 3ekpA-2f7lA:
undetectable		 3ekpA-2f7lA:
11.21
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.
2f91 HEPATOPANCREAS
TRYPSIN

(Astacus
leptodactylus) 		PF00089
(Trypsin) 		5 LEU A  99
ASP A 102
GLY A  56
ALA A  55
VAL A 213
 None
 1.18A 3ekpA-2f91A:
undetectable		 3ekpA-2f91A:
16.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fja ADENYLYLSULFATE
REDUCTASE, SUBUNIT A

(Archaeoglobus
fulgidus) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C) 		5 LEU A  54
GLY A  36
ALA A  37
GLY A 438
ILE A  27
 None
None
None
FAD  A1000 (-3.5A)
None
 0.96A 3ekpA-2fjaA:
undetectable		 3ekpA-2fjaA:
10.02
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.
2fk6 RIBONUCLEASE Z

(Bacillus
subtilis) 		PF12706
(Lactamase_B_2) 		5 LEU A  35
GLY A  71
VAL A  90
GLY A  77
ILE A  59
 None
 1.17A 3ekpA-2fk6A:
undetectable		 3ekpA-2fk6A:
16.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2fmb EQUINE INFECTIOUS
ANEMIA VIRUS
PROTEASE

(Equine
infectious
anemia virus) 		PF00077
(RVP) 		7 LEU A  23
ASP A  25
GLY A  27
ALA A  28
VAL A  32
GLY A  54
ILE A  89
 None
LP1  A 201 (-2.3A)
LP1  A 201 (-3.8A)
LP1  A 201 (-3.5A)
None
LP1  A 201 (-3.6A)
LP1  A 201 (-4.2A)
 0.84A 3ekpA-2fmbA:
15.3		 3ekpA-2fmbA:
31.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2fmb EQUINE INFECTIOUS
ANEMIA VIRUS
PROTEASE

(Equine
infectious
anemia virus) 		PF00077
(RVP) 		7 LEU A  23
ASP A  25
GLY A  27
ALA A  28
VAL A  32
GLY A  55
ILE A  89
 None
LP1  A 201 (-2.3A)
LP1  A 201 (-3.8A)
LP1  A 201 (-3.5A)
None
LP1  A 201 (-3.4A)
LP1  A 201 (-4.2A)
 0.35A 3ekpA-2fmbA:
15.3		 3ekpA-2fmbA:
31.73
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.
2fym ENOLASE

(Escherichia
coli) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		5 GLY A 174
ALA A 175
VAL A 178
GLY A 185
ILE A 170
 None
 1.12A 3ekpA-2fymA:
undetectable		 3ekpA-2fymA:
13.21
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.
2gjn HYPOTHETICAL PROTEIN
PA1024

(Pseudomonas
aeruginosa) 		PF03060
(NMO) 		5 GLY A  21
VAL A  99
GLY A  40
ILE A  18
ILE A 122
 FMN  A1904 (-4.0A)
None
None
None
None
 1.03A 3ekpA-2gjnA:
undetectable		 3ekpA-2gjnA:
13.41