SIMILAR PATTERNS OF AMINO ACIDS FOR 1EI6_C_PPFC413_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.
1a8q BROMOPEROXIDASE A1

(Kitasatospora
aureofaciens) 		PF00561
(Abhydrolase_1) 		4 ASP A 223
HIS A 252
HIS A 219
ILE A 121
 None
 0.84A 1ei6C-1a8qA:
undetectable		 1ei6C-1a8qA:
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.
1au8 CATHEPSIN G

(Homo sapiens) 		PF00089
(Trypsin) 		4 PHE A 228
THR A 229
ASP A 102
HIS A  57
 None
None
None
0H8  A   1 (-3.3A)
 0.88A 1ei6C-1au8A:
undetectable		 1ei6C-1au8A:
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.
1azz COLLAGENASE

(Leptuca
pugilator) 		PF00089
(Trypsin) 		4 PHE A 228
THR A 229
ASP A 102
HIS A  57
 None
 0.75A 1ei6C-1azzA:
undetectable		 1ei6C-1azzA:
20.99
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.
1d0n HORSE PLASMA
GELSOLIN

(Equus caballus) 		PF00626
(Gelsolin) 		4 PHE A 130
THR A 129
HIS A 119
HIS A  86
 None
 1.00A 1ei6C-1d0nA:
undetectable		 1ei6C-1d0nA:
22.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1e6v METHYL-COENZYME M
REDUCTASE I ALPHA
SUBUNIT

(Methanopyrus
kandleri) 		PF02249
(MCR_alpha)
PF02745
(MCR_alpha_N) 		4 PHE A 399
THR A 397
ASP A 343
HIS A 398
 None
 0.98A 1ei6C-1e6vA:
undetectable		 1ei6C-1e6vA:
21.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1fi8 NATURAL KILLER CELL
PROTEASE 1

(Rattus
norvegicus) 		PF00089
(Trypsin) 		4 PHE A 228
THR A 229
ASP A 102
HIS A  57
 None
 0.84A 1ei6C-1fi8A:
undetectable		 1ei6C-1fi8A:
19.08
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.
1g8k ARSENITE OXIDASE

(Alcaligenes
faecalis) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding) 		5 ASP A 669
PHE A 666
THR A 668
ASP A 670
HIS A 674
 None
 1.44A 1ei6C-1g8kA:
2.5		 1ei6C-1g8kA:
18.89
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.
1j5s URONATE ISOMERASE

(Thermotoga
maritima) 		PF02614
(UxaC) 		4 THR A 151
ASP A 231
HIS A 290
HIS A  30
 None
 0.97A 1ei6C-1j5sA:
undetectable		 1ei6C-1j5sA:
23.88
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.
1k0f PERIPLASMIC
ZINC-BINDING PROTEIN
TROA

(Treponema
pallidum) 		PF01297
(ZnuA) 		5 ASP A  66
THR A 221
ASP A 279
HIS A 133
HIS A 199
 None
 1.42A 1ei6C-1k0fA:
undetectable		 1ei6C-1k0fA:
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.
1k7h ALKALINE PHOSPHATASE

(Pandalus
borealis) 		PF00245
(Alk_phosphatase) 		5 ASP A  37
ASP A 315
HIS A 319
HIS A 357
HIS A 432
 ZN  A 478 ( 2.1A)
ZN  A 477 (-2.1A)
ZN  A 477 (-3.2A)
ZN  A 478 (-3.1A)
ZN  A 477 (-3.2A)
 0.48A 1ei6C-1k7hA:
15.2		 1ei6C-1k7hA:
23.22
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.
1lns X-PROLYL DIPEPTIDYL
AMINOPEPTIDASE

(Lactococcus
lactis) 		PF02129
(Peptidase_S15)
PF08530
(PepX_C)
PF09168
(PepX_N) 		4 ASP A 468
HIS A 498
HIS A 464
ILE A 374
 None
 0.95A 1ei6C-1lnsA:
undetectable		 1ei6C-1lnsA:
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.
1o99 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Geobacillus
stearothermophilus) 		PF01676
(Metalloenzyme)
PF06415
(iPGM_N) 		5 ASP A  12
ASP A 403
HIS A 407
HIS A 445
HIS A 462
 2PG  A 801 ( 4.5A)
MN  A 601 ( 2.0A)
MN  A 601 ( 3.2A)
2PG  A 801 (-4.4A)
MN  A 601 ( 3.3A)
 0.62A 1ei6C-1o99A:
17.2		 1ei6C-1o99A:
23.66
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.
1pfx FACTOR IXA

(Sus scrofa) 		PF00089
(Trypsin) 		4 THR C 229
ASP C 102
HIS C  57
ILE C 213
 None
None
0G6  C 301 (-2.5A)
None
 0.92A 1ei6C-1pfxC:
undetectable		 1ei6C-1pfxC:
22.16
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.
1qrr SULFOLIPID
BIOSYNTHESIS (SQD1)
PROTEIN

(Arabidopsis
thaliana) 		PF01370
(Epimerase) 		4 ASP A 189
THR A 124
ILE A  76
HIS A  96
 None
None
NAD  A 401 (-3.9A)
None
 1.00A 1ei6C-1qrrA:
2.0		 1ei6C-1qrrA:
23.29
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.
1upx HYDROXYLAMINE
REDUCTASE

(Desulfovibrio
desulfuricans) 		PF03063
(Prismane) 		4 ASP A 244
ASP A 241
HIS A 159
ILE A 325
 None
 0.99A 1ei6C-1upxA:
undetectable		 1ei6C-1upxA:
23.39
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.
1upx HYDROXYLAMINE
REDUCTASE

(Desulfovibrio
desulfuricans) 		PF03063
(Prismane) 		4 ASP A 244
THR A 323
HIS A 159
ILE A 325
 None
 0.97A 1ei6C-1upxA:
undetectable		 1ei6C-1upxA:
23.39
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.
1ve5 THREONINE DEAMINASE

(Thermus
thermophilus) 		PF00291
(PALP) 		4 PHE A 243
THR A 242
ASP A 144
ILE A 219
 None
 0.96A 1ei6C-1ve5A:
undetectable		 1ei6C-1ve5A:
23.44
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.
1vkh PUTATIVE SERINE
HYDROLASE

(Saccharomyces
cerevisiae) 		PF07859
(Abhydrolase_3) 		4 ASP A 211
HIS A 243
HIS A 207
ILE A 153
 None
 0.94A 1ei6C-1vkhA:
undetectable		 1ei6C-1vkhA:
22.12
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.
1x3l HYPOTHETICAL PROTEIN
PH0495

(Pyrococcus
horikoshii) 		PF05161
(MOFRL)
PF13660
(DUF4147) 		4 ASP A 213
THR A 215
HIS A 172
ILE A 223
 None
 0.98A 1ei6C-1x3lA:
2.1		 1ei6C-1x3lA:
24.39
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.
1zef ALKALINE PHOSPHATASE

(Homo sapiens) 		PF00245
(Alk_phosphatase) 		5 ASP A  42
ASP A 316
HIS A 320
HIS A 358
HIS A 432
 ZN  A 902 ( 2.1A)
ZN  A 901 ( 1.9A)
ZN  A 901 ( 3.3A)
ZN  A 902 (-3.2A)
ZN  A 901 ( 3.2A)
 0.46A 1ei6C-1zefA:
15.4		 1ei6C-1zefA:
22.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zef ALKALINE PHOSPHATASE

(Homo sapiens) 		PF00245
(Alk_phosphatase) 		4 ASP A  42
ASP A 316
HIS A 320
HIS A 360
 ZN  A 902 ( 2.1A)
ZN  A 901 ( 1.9A)
ZN  A 901 ( 3.3A)
None
 0.95A 1ei6C-1zefA:
15.4		 1ei6C-1zefA:
22.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fvz INOSITOL
MONOPHOSPHATASE 2

(Homo sapiens) 		PF00459
(Inositol_P) 		4 ASP A 179
PHE A 186
THR A 182
ILE A 174
 None
 0.92A 1ei6C-2fvzA:
undetectable		 1ei6C-2fvzA:
21.18
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.
2gsn PHOSPHODIESTERASE-NU
CLEOTIDE
PYROPHOSPHATASE

(Xanthomonas
citri) 		PF01663
(Phosphodiest) 		6 ASP A  54
THR A  90
ASP A 210
HIS A 214
HIS A 258
HIS A 363
 ZN  A1000 (-2.2A)
ZN  A1000 (-2.4A)
ZN  A1001 (-2.0A)
ZN  A1001 (-3.2A)
ZN  A1000 (-3.2A)
ZN  A1001 (-3.3A)
 0.52A 1ei6C-2gsnA:
28.0		 1ei6C-2gsnA:
24.11
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.
2gzx PUTATIVE TATD
RELATED DNASE

(Staphylococcus
aureus) 		PF01026
(TatD_DNase) 		4 HIS A   8
HIS A 153
ILE A  59
HIS A   6
 NI  A 300 (-3.4A)
NI  A 299 (-3.5A)
None
NI  A 300 (-3.3A)
 0.95A 1ei6C-2gzxA:
undetectable		 1ei6C-2gzxA:
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.
2hx1 PREDICTED SUGAR
PHOSPHATASES OF THE
HAD SUPERFAMILY

(Cytophaga
hutchinsonii) 		PF13242
(Hydrolase_like)
PF13344
(Hydrolase_6) 		4 ASP A 169
THR A 236
HIS A 235
ILE A 238
 EPE  A 307 (-3.7A)
None
None
None
 1.01A 1ei6C-2hx1A:
undetectable		 1ei6C-2hx1A:
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.
2ify 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Bacillus
anthracis) 		PF01676
(Metalloenzyme)
PF06415
(iPGM_N) 		5 ASP A  11
ASP A 402
HIS A 406
HIS A 444
HIS A 461
 MN  A 701 (-2.4A)
MN  A 601 (-2.4A)
MN  A 601 (-3.6A)
MN  A 701 (-3.3A)
MN  A 601 (-3.4A)
 0.61A 1ei6C-2ifyA:
17.4		 1ei6C-2ifyA:
22.84
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.
2iuc ALKALINE PHOSPHATASE

(Antarctic
bacterium TAB5) 		PF00245
(Alk_phosphatase) 		5 ASP B  43
ASP B 259
HIS B 263
HIS B 302
HIS B 337
 ZN  B1007 ( 2.1A)
ZN  B1006 (-2.1A)
ZN  B1006 (-3.2A)
ZN  B1007 (-3.1A)
ZN  B1006 ( 3.3A)
 0.45A 1ei6C-2iucB:
17.2		 1ei6C-2iucB:
21.11
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.
2p18 GLYOXALASE II

(Leishmania
infantum) 		PF00753
(Lactamase_B)
PF16123
(HAGH_C) 		4 ASP A 109
PHE A 175
THR A 140
HIS A  78
 None
ACY  A1022 (-4.9A)
None
ZN  A 302 ( 3.2A)
 1.01A 1ei6C-2p18A:
undetectable		 1ei6C-2p18A:
21.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2q01 URONATE ISOMERASE

(Caulobacter
vibrioides) 		PF02614
(UxaC) 		4 THR A 169
ASP A 249
HIS A 307
HIS A  39
 None
 0.97A 1ei6C-2q01A:
undetectable		 1ei6C-2q01A:
22.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2q0t PUTATIVE
GAMMA-CARBOXYMUCONOL
ACTONE DECARBOXYLASE
SUBUNIT

(Paraburkholderia
xenovorans) 		PF02627
(CMD) 		4 THR A 234
ASP A  68
HIS A  82
HIS A 237
 None
 0.92A 1ei6C-2q0tA:
undetectable		 1ei6C-2q0tA:
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.
2rdl CHYMASE 2

(Mesocricetus
auratus) 		PF00089
(Trypsin) 		4 PHE A 228
THR A 229
ASP A 102
HIS A  57
 None
 0.77A 1ei6C-2rdlA:
undetectable		 1ei6C-2rdlA:
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.
2v35 ELASTASE-1

(Sus scrofa) 		PF00089
(Trypsin) 		4 PHE A 228
THR A 229
ASP A 102
HIS A  57
 None
None
None
J54  A1246 ( 4.7A)
 0.88A 1ei6C-2v35A:
undetectable		 1ei6C-2v35A:
22.76
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.
2x98 ALKALINE PHOSPHATASE

(Halobacterium
salinarum) 		PF00245
(Alk_phosphatase) 		5 ASP A  56
ASP A 304
HIS A 308
HIS A 347
HIS A 435
 ZN  A1476 (-2.2A)
ZN  A1475 ( 2.0A)
ZN  A1475 ( 3.2A)
ZN  A1476 ( 3.1A)
ZN  A1475 ( 3.2A)
 0.46A 1ei6C-2x98A:
15.8		 1ei6C-2x98A:
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.
2zkt 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Pyrococcus
horikoshii) 		PF01676
(Metalloenzyme)
PF10143
(PhosphMutase) 		5 ASP A  13
ASP A 305
HIS A 309
HIS A 347
HIS A 356
 ZN  A 414 (-2.2A)
ZN  A 415 (-2.3A)
ZN  A 415 (-3.5A)
ZN  A 414 (-3.5A)
ZN  A 415 (-3.5A)
 0.53A 1ei6C-2zktA:
17.5		 1ei6C-2zktA:
23.70
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.
2zoa PHOSPHOHYDROLASE

(Klebsiella
aerogenes) 		PF00149
(Metallophos) 		5 ASP A   8
ASP A  50
HIS A  81
HIS A 156
ILE A 170
 FE2  A 275 ( 3.1A)
FE2  A 276 (-2.7A)
MLI  A 277 (-4.3A)
FE2  A 276 (-3.6A)
None
 1.27A 1ei6C-2zoaA:
undetectable		 1ei6C-2zoaA:
22.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3a52 COLD-ACTIVE ALKALINE
PHOSPHATASE

(Shewanella sp.
AP1) 		PF00245
(Alk_phosphatase) 		5 ASP A   9
ASP A 227
HIS A 231
HIS A 270
HIS A 362
 SO4  A3004 ( 4.5A)
ZN  A1001 ( 2.0A)
ZN  A1001 ( 3.2A)
ZN  A1001 (-4.8A)
ZN  A1001 ( 3.3A)
 0.46A 1ei6C-3a52A:
17.2		 1ei6C-3a52A:
22.78
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.
3bv6 METAL-DEPENDENT
HYDROLASE

(Vibrio cholerae) 		PF13483
(Lactamase_B_3) 		5 ASP A 184
ASP A 227
HIS A 282
HIS A 117
HIS A 122
 FE  A 401 (-2.9A)
FE  A 401 ( 2.5A)
FE  A 402 (-3.4A)
FE  A 401 (-3.1A)
FE  A 402 (-3.3A)
 1.13A 1ei6C-3bv6A:
undetectable		 1ei6C-3bv6A:
20.58
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.
3e2d ALKALINE PHOSPHATASE

(Vibrio sp.
G15-21) 		PF00245
(Alk_phosphatase) 		5 ASP A  12
ASP A 273
HIS A 277
HIS A 316
HIS A 465
 ZN  A 602 (-2.2A)
ZN  A 601 ( 2.1A)
ZN  A 601 (-3.2A)
ZN  A 602 ( 3.2A)
ZN  A 601 ( 3.2A)
 0.42A 1ei6C-3e2dA:
15.9		 1ei6C-3e2dA:
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.
3esh PROTEIN SIMILAR TO
METAL-DEPENDENT
HYDROLASE

(Staphylococcus
aureus) 		PF00753
(Lactamase_B) 		4 ASP A  63
THR A 107
HIS A 108
ILE A 207
 None
 1.00A 1ei6C-3eshA:
undetectable		 1ei6C-3eshA:
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.
3iac GLUCURONATE
ISOMERASE

(Salmonella
enterica) 		PF02614
(UxaC) 		4 THR A 158
ASP A 239
HIS A 299
HIS A  33
 None
 0.99A 1ei6C-3iacA:
undetectable		 1ei6C-3iacA:
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.
3igz COFACTOR-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Leishmania
mexicana) 		PF01676
(Metalloenzyme)
PF06415
(iPGM_N) 		5 ASP B  23
ASP B 425
HIS B 429
HIS B 467
HIS B 496
 CO  B 563 ( 2.2A)
CO  B 562 (-2.1A)
CO  B 562 (-3.2A)
CO  B 563 ( 3.1A)
CO  B 562 (-3.3A)
 0.52A 1ei6C-3igzB:
17.7		 1ei6C-3igzB:
22.34
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.
3ivu HOMOCITRATE
SYNTHASE,
MITOCHONDRIAL

(Schizosaccharomyces
pombe) 		PF00682
(HMGL-like) 		4 ASP A 220
PHE A  35
THR A 245
HIS A 246
 None
 0.92A 1ei6C-3ivuA:
undetectable		 1ei6C-3ivuA:
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.
3m8y PHOSPHOPENTOMUTASE

(Bacillus cereus) 		PF01676
(Metalloenzyme) 		5 ASP A  13
ASP A 286
HIS A 291
HIS A 328
HIS A 339
 MN  A 396 (-2.0A)
MN  A 395 (-2.2A)
MN  A 395 (-3.4A)
MN  A 396 (-3.3A)
MN  A 395 (-3.4A)
 0.49A 1ei6C-3m8yA:
16.0		 1ei6C-3m8yA:
22.64
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.
3nqw CG11900

(Drosophila
melanogaster) 		PF13328
(HD_4) 		4 ASP A  67
ASP A  63
HIS A  62
HIS A  20
 None
MN  A 300 (-2.6A)
MN  A 300 (-3.5A)
None
 0.95A 1ei6C-3nqwA:
undetectable		 1ei6C-3nqwA:
17.98
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.
3nvl 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Trypanosoma
brucei) 		PF01676
(Metalloenzyme)
PF06415
(iPGM_N) 		5 ASP A  22
ASP A 424
HIS A 428
HIS A 466
HIS A 495
 CO  A 553 (-2.1A)
CO  A 554 (-2.3A)
CO  A 554 (-3.3A)
CO  A 553 (-3.2A)
CO  A 554 (-3.3A)
 0.51A 1ei6C-3nvlA:
17.6		 1ei6C-3nvlA:
22.64
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.
3ozx RNASE L INHIBITOR

(Sulfolobus
solfataricus) 		PF00005
(ABC_tran) 		4 ASP A 484
THR A 382
HIS A 518
ILE A 379
 MG  A 613 ( 3.9A)
MG  A 613 ( 3.0A)
None
ADP  A 615 (-4.5A)
 0.92A 1ei6C-3ozxA:
2.2		 1ei6C-3ozxA:
21.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3py6 BETA-LACTAMASE-LIKE

(Brucella
abortus) 		PF12706
(Lactamase_B_2) 		4 ASP A  90
HIS A 170
HIS A 241
HIS A 219
 MN  A 300 ( 2.6A)
MN  A 301 ( 3.4A)
MN  A 300 ( 3.4A)
5GP  A 303 (-4.1A)
 1.00A 1ei6C-3py6A:
undetectable		 1ei6C-3py6A:
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.
3q3q ALKALINE PHOSPHATASE

(Sphingomonas
sp. BSAR-1) 		PF01663
(Phosphodiest) 		6 ASP A  49
THR A  89
ASP A 300
HIS A 304
HIS A 346
HIS A 491
 ZN  A1559 (-2.3A)
ZN  A1559 ( 2.6A)
ZN  A1561 ( 2.1A)
ZN  A1561 ( 3.2A)
ZN  A1559 ( 3.2A)
ZN  A1561 ( 3.2A)
 0.45A 1ei6C-3q3qA:
25.6		 1ei6C-3q3qA:
23.83
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.
3re3 2-C-METHYL-D-ERYTHRI
TOL
2,4-CYCLODIPHOSPHATE
SYNTHASE

(Francisella
tularensis) 		PF02542
(YgbB) 		4 PHE A  14
THR A  15
ASP A  39
HIS A  12
 None
 0.83A 1ei6C-3re3A:
undetectable		 1ei6C-3re3A:
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.
3rp2 RAT MAST CELL
PROTEASE II

(Rattus rattus) 		PF00089
(Trypsin) 		4 PHE A 228
THR A 229
ASP A 102
HIS A  57
 None
 0.86A 1ei6C-3rp2A:
undetectable		 1ei6C-3rp2A:
23.27
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.
3rpc POSSIBLE
METAL-DEPENDENT
HYDROLASE

(Veillonella
parvula) 		PF12706
(Lactamase_B_2) 		4 ASP A  73
HIS A  74
ILE A 201
HIS A 223
 ZN  A 302 (-2.8A)
ZN  A 302 (-3.4A)
None
ZN  A 302 (-3.5A)
 0.79A 1ei6C-3rpcA:
undetectable		 1ei6C-3rpcA:
20.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3t02 PHOSPHONOACETATE
HYDROLASE

(Sinorhizobium
meliloti) 		PF01663
(Phosphodiest) 		7 ASP A  29
PHE A  67
ASP A 211
HIS A 215
HIS A 251
ILE A 287
HIS A 377
 ZN  A 501 ( 2.2A)
None
ZN  A 502 (-2.2A)
ZN  A 502 ( 3.3A)
ZN  A 501 ( 3.0A)
None
ZN  A 502 ( 3.2A)
 0.55A 1ei6C-3t02A:
62.1		 1ei6C-3t02A:
54.29
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.
3wbh ALKALINE PHOSPHATASE

(Halomonas sp.
#593) 		PF00245
(Alk_phosphatase) 		5 ASP A  12
ASP A 269
HIS A 273
HIS A 312
HIS A 461
 ZN  A 505 ( 2.1A)
ZN  A 504 ( 2.1A)
ZN  A 504 (-3.4A)
ZN  A 505 (-3.1A)
ZN  A 504 ( 3.5A)
 0.45A 1ei6C-3wbhA:
16.0		 1ei6C-3wbhA:
24.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zdr ALCOHOL
DEHYDROGENASE DOMAIN
OF THE BIFUNCTIONAL
ACETALDEHYDE
DEHYDROGENASE

(Parageobacillus
thermoglucosidasius) 		PF00465
(Fe-ADH) 		5 THR A 664
ASP A 661
HIS A 744
HIS A 665
HIS A 730
 None
ZN  A1870 ( 1.7A)
ZN  A1870 ( 3.3A)
ZN  A1870 ( 3.2A)
ZN  A1870 ( 3.2A)
 1.49A 1ei6C-3zdrA:
undetectable		 1ei6C-3zdrA:
23.22
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.
3zq4 RIBONUCLEASE J 1

(Bacillus
subtilis) 		PF00753
(Lactamase_B)
PF07521
(RMMBL) 		4 ASP A 195
ASP A 164
HIS A  74
HIS A 368
 None
ZN  A1556 ( 2.7A)
ZN  A1557 (-3.0A)
None
 0.87A 1ei6C-3zq4A:
2.5		 1ei6C-3zq4A:
21.09
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.
3zq4 RIBONUCLEASE J 1

(Bacillus
subtilis) 		PF00753
(Lactamase_B)
PF07521
(RMMBL) 		5 ASP A 195
THR A 197
ASP A 164
HIS A  79
HIS A 368
 None
None
ZN  A1556 ( 2.7A)
ZN  A1556 (-3.2A)
None
 1.38A 1ei6C-3zq4A:
2.5		 1ei6C-3zq4A:
21.09
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.
4b56 ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 1

(Mus musculus) 		PF01033
(Somatomedin_B)
PF01223
(Endonuclease_NS)
PF01663
(Phosphodiest) 		6 ASP A 200
THR A 238
ASP A 358
HIS A 362
HIS A 406
HIS A 517
 ZN  A1002 ( 2.1A)
ZN  A1002 ( 2.3A)
ZN  A1001 (-2.1A)
ZN  A1001 ( 3.2A)
ZN  A1002 (-3.2A)
ZN  A1001 ( 3.3A)
 0.47A 1ei6C-4b56A:
8.3		 1ei6C-4b56A:
19.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bzi SEC23P

(Saccharomyces
cerevisiae) 		PF00626
(Gelsolin)
PF04810
(zf-Sec23_Sec24)
PF04811
(Sec23_trunk)
PF04815
(Sec23_helical)
PF08033
(Sec23_BS) 		4 PHE A 608
ASP A 363
HIS A 420
ILE A 612
 None
 0.89A 1ei6C-4bziA:
3.1		 1ei6C-4bziA:
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.
4c3h DNA-DIRECTED RNA
POLYMERASE I SUBUNIT
RPA190

(Saccharomyces
cerevisiae) 		PF00623
(RNA_pol_Rpb1_2)
PF04983
(RNA_pol_Rpb1_3)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4) 		4 PHE A 817
THR A 818
HIS A 617
HIS A 673
 None
 0.91A 1ei6C-4c3hA:
undetectable		 1ei6C-4c3hA:
13.15
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.
4d61 EUKARYOTIC PEPTIDE
CHAIN RELEASE FACTOR
GTP-BINDING SUBUNIT
ERF3A

(Homo sapiens) 		PF01201
(Ribosomal_S8e) 		4 PHE i 276
ASP i 478
HIS i 282
ILE i 285
 None
 0.95A 1ei6C-4d61i:
undetectable		 1ei6C-4d61i:
22.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4i2y RGECO1

(Discosoma sp.;
Gallus gallus;
Rattus
norvegicus) 		PF01353
(GFP)
PF13499
(EF-hand_7) 		4 ASP A 363
PHE A 366
THR A 365
ASP A 361
 CA  A 501 (-3.0A)
None
CA  A 501 (-4.4A)
CA  A 501 (-2.9A)
 0.92A 1ei6C-4i2yA:
undetectable		 1ei6C-4i2yA:
22.55
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.
4ina SACCHAROPINE
DEHYDROGENASE

(Wolinella
succinogenes) 		PF03435
(Sacchrp_dh_NADP)
PF16653
(Sacchrp_dh_C) 		4 PHE A 142
THR A 347
HIS A 231
ILE A 308
 None
 0.98A 1ei6C-4inaA:
undetectable		 1ei6C-4inaA:
20.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4lr2 BIS(5'-ADENOSYL)-TRI
PHOSPHATASE ENPP4

(Homo sapiens) 		PF01663
(Phosphodiest) 		6 ASP A  34
THR A  70
ASP A 189
HIS A 193
HIS A 238
HIS A 336
 ZN  A 505 (-2.1A)
ZN  A 505 ( 2.4A)
ZN  A 506 ( 2.1A)
ZN  A 506 ( 3.3A)
ZN  A 505 (-3.1A)
ZN  A 506 ( 3.3A)
 0.44A 1ei6C-4lr2A:
27.8		 1ei6C-4lr2A:
23.27
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.
4mvc CHOLINE-PHOSPHATE
CYTIDYLYLTRANSFERASE
A

(Rattus
norvegicus) 		PF01467
(CTP_transf_like) 		4 PHE A 124
THR A 125
ASP A 115
HIS A 119
 None
 1.00A 1ei6C-4mvcA:
undetectable		 1ei6C-4mvcA:
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.
4n7t PHOSPHOPENTOMUTASE

(Streptococcus
mutans) 		PF01676
(Metalloenzyme) 		5 ASP A  13
ASP A 298
HIS A 303
HIS A 340
HIS A 351
 MN  A 501 (-2.0A)
MN  A 502 (-2.2A)
MN  A 502 (-3.3A)
MN  A 501 (-3.2A)
MN  A 502 (-3.2A)
 0.54A 1ei6C-4n7tA:
14.0		 1ei6C-4n7tA:
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.
4qax 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Staphylococcus
aureus) 		PF01676
(Metalloenzyme)
PF06415
(iPGM_N) 		5 ASP A  12
ASP A 397
HIS A 401
HIS A 439
HIS A 456
 MN  A 602 (-2.1A)
MN  A 601 (-2.4A)
MN  A 601 (-3.4A)
MN  A 602 (-3.2A)
MN  A 601 (-3.6A)
 0.57A 1ei6C-4qaxA:
18.3		 1ei6C-4qaxA:
23.63
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.
4qkf ALPHA-KETOGLUTARATE-
DEPENDENT
DIOXYGENASE ALKB
HOMOLOG 7,
MITOCHONDRIAL

(Homo sapiens) 		PF13532
(2OG-FeII_Oxy_2) 		4 ASP A 123
HIS A 177
ILE A  70
HIS A 121
 MN  A 300 (-2.9A)
MN  A 300 ( 3.5A)
None
MN  A 300 ( 3.4A)
 1.00A 1ei6C-4qkfA:
undetectable		 1ei6C-4qkfA:
19.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rnc ESTERASE

(Rhodococcus sp.
ECU1013) 		PF12697
(Abhydrolase_6) 		4 ASP A 225
HIS A 253
HIS A 221
ILE A 128
 None
None
None
PO4  A 301 (-4.1A)
 0.91A 1ei6C-4rncA:
undetectable		 1ei6C-4rncA:
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.
4rp8 ASCORBATE-SPECIFIC
PERMEASE IIC
COMPONENT ULAA

(Escherichia
coli) 		PF03611
(EIIC-GAT) 		4 ASP A 314
HIS A 194
HIS A 135
ILE A 358
 ASC  A 501 (-2.7A)
ASC  A 501 (-4.1A)
ASC  A 501 (-4.1A)
ASC  A 501 ( 4.9A)
 0.91A 1ei6C-4rp8A:
undetectable		 1ei6C-4rp8A:
21.00
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.
4rv2 UPF0336 PROTEIN
MSMEG_1340/MSMEI_130
2

(Mycolicibacterium
smegmatis) 		PF13452
(MaoC_dehydrat_N) 		4 PHE A  59
THR A  58
ILE A  62
HIS A  28
 None
 0.96A 1ei6C-4rv2A:
undetectable		 1ei6C-4rv2A:
14.68
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.
4yr1 ALKALINE PHOSPHATASE

(Escherichia
coli) 		PF00245
(Alk_phosphatase) 		5 ASP A  51
ASP A 327
HIS A 331
HIS A 370
HIS A 412
 ZN  A 501 ( 2.5A)
ZN  A 502 (-1.7A)
ZN  A 502 ( 3.3A)
ZN  A 501 ( 3.2A)
ZN  A 502 ( 3.3A)
 0.39A 1ei6C-4yr1A:
15.7		 1ei6C-4yr1A:
24.95
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.
4zg7 ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 2

(Homo sapiens) 		PF01033
(Somatomedin_B)
PF01223
(Endonuclease_NS)
PF01663
(Phosphodiest) 		6 ASP A 172
THR A 210
ASP A 312
HIS A 316
HIS A 360
HIS A 475
 ZN  A 904 ( 2.2A)
ZN  A 904 ( 2.6A)
ZN  A 903 ( 2.0A)
ZN  A 903 ( 3.2A)
ZN  A 904 ( 3.2A)
ZN  A 903 ( 3.3A)
 0.42A 1ei6C-4zg7A:
23.5		 1ei6C-4zg7A:
19.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5a0t RIBONUCLEASE J

(Streptomyces
coelicolor) 		PF00753
(Lactamase_B)
PF07521
(RMMBL) 		5 ASP A 205
THR A 207
ASP A 173
HIS A  89
HIS A 377
 None
C  E   0 ( 3.6A)
ZN  A1457 ( 2.7A)
ZN  A1457 (-3.5A)
G  E   1 ( 3.9A)
 1.49A 1ei6C-5a0tA:
undetectable		 1ei6C-5a0tA:
24.73
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.
5aho 5' EXONUCLEASE
APOLLO

(Homo sapiens) 		PF07522
(DRMBL) 		4 ASP A 145
ASP A 120
HIS A  31
HIS A 276
 None
ZN  A1320 (-2.5A)
ZN  A1321 (-3.3A)
TLA  A1319 ( 3.9A)
 1.00A 1ei6C-5ahoA:
undetectable		 1ei6C-5ahoA:
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.
5aho 5' EXONUCLEASE
APOLLO

(Homo sapiens) 		PF07522
(DRMBL) 		5 ASP A 145
THR A 147
ASP A 120
HIS A  36
HIS A 276
 None
TLA  A1319 ( 4.7A)
ZN  A1320 (-2.5A)
ZN  A1320 ( 3.4A)
TLA  A1319 ( 3.9A)
 1.42A 1ei6C-5ahoA:
undetectable		 1ei6C-5ahoA:
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.
5ahr DNA CROSS-LINK
REPAIR 1A PROTEIN

(Homo sapiens) 		PF07522
(DRMBL)
PF12706
(Lactamase_B_2) 		5 ASP A 838
THR A 840
ASP A 815
HIS A 737
HIS A 994
 None
None
ZN  A2041 (-3.1A)
ZN  A2041 ( 4.8A)
None
 1.47A 1ei6C-5ahrA:
undetectable		 1ei6C-5ahrA:
20.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5e4v NUCLEOPROTEIN,PHOSPH
OPROTEIN

(Measles
morbillivirus) 		PF00973
(Paramyxo_ncap)
PF13825
(Paramyxo_PNT) 		4 ASP A 207
THR A  51
HIS A  14
ILE A  17
 None
 0.84A 1ei6C-5e4vA:
undetectable		 1ei6C-5e4vA:
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.
5ege ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 6

(Mus musculus) 		PF01663
(Phosphodiest) 		5 ASP A  32
ASP A 193
HIS A 197
HIS A 241
HIS A 354
 ZN  A 509 (-1.9A)
ZN  A 508 (-2.1A)
ZN  A 508 ( 3.2A)
ZN  A 509 (-3.4A)
ZN  A 508 (-3.3A)
 0.51A 1ei6C-5egeA:
30.0		 1ei6C-5egeA:
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.
5ek8 LIPOXYGENASE

(Cyanothece sp.
PCC 8801) 		PF00305
(Lipoxygenase) 		4 ASP A 575
HIS A 359
ILE A 397
HIS A 570
 None
FE2  A 701 (-3.5A)
None
FE2  A 701 (-3.6A)
 0.97A 1ei6C-5ek8A:
undetectable		 1ei6C-5ek8A:
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.
5epa SNOK

(Streptomyces
nogalater) 		PF05721
(PhyH) 		5 THR A 137
ASP A 123
HIS A 121
HIS A 204
HIS A 210
 AKG  A 301 ( 4.3A)
FE  A 300 ( 2.5A)
FE  A 300 ( 3.3A)
AKG  A 301 (-4.4A)
FE  A 300 ( 3.3A)
 1.37A 1ei6C-5epaA:
undetectable		 1ei6C-5epaA:
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.
5epz ANGIOGENIN

(Homo sapiens) 		PF00074
(RnaseA) 		4 PHE A  45
THR A  79
HIS A  47
ILE A  29
 None
 1.00A 1ei6C-5epzA:
undetectable		 1ei6C-5epzA:
15.49
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.
5equ SNON,SNON

(Streptomyces
nogalater) 		PF05721
(PhyH) 		4 THR A 146
ASP A 132
HIS A 130
HIS A 207
 AKG  A 301 ( 4.3A)
FE  A 300 (-2.2A)
FE  A 300 (-3.1A)
AKG  A 301 (-4.2A)
 0.99A 1ei6C-5equA:
undetectable		 1ei6C-5equA:
21.84
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.
5gz4 SNAKE VENOM
PHOSPHODIESTERASE
(PDE)

(Naja atra) 		PF01033
(Somatomedin_B)
PF01223
(Endonuclease_NS)
PF01663
(Phosphodiest) 		6 ASP A 147
THR A 185
ASP A 305
HIS A 309
HIS A 353
HIS A 462
 ZN  A 902 (-1.8A)
ZN  A 902 (-2.7A)
ZN  A 901 (-2.2A)
ZN  A 901 (-3.1A)
ZN  A 902 (-3.0A)
ZN  A 901 (-3.2A)
 0.50A 1ei6C-5gz4A:
27.5		 1ei6C-5gz4A:
20.29
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.
5i35 ATYPICAL KINASE
ADCK3, MITOCHONDRIAL

(Homo sapiens) 		PF03109
(ABC1) 		4 THR A 606
HIS A 559
ILE A 525
HIS A 610
 None
 0.84A 1ei6C-5i35A:
undetectable		 1ei6C-5i35A:
23.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kgn 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Caenorhabditis
elegans) 		PF01676
(Metalloenzyme)
PF06415
(iPGM_N) 		5 ASP A  37
ASP A 426
HIS A 430
HIS A 468
HIS A 485
 ZN  A 605 (-2.0A)
MN  A 604 (-2.2A)
MN  A 604 (-3.4A)
ZN  A 605 (-3.1A)
MN  A 604 (-3.3A)
 0.55A 1ei6C-5kgnA:
18.2		 1ei6C-5kgnA:
22.34
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.
5l20 CLOSTRIPAIN-RELATED
PROTEIN

(Bacteroides
thetaiotaomicron) 		PF03415
(Peptidase_C11) 		4 THR B 392
ASP B 373
HIS B 393
ILE B 291
 None
 0.99A 1ei6C-5l20B:
undetectable		 1ei6C-5l20B:
17.24
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.
5osh VACUOLAR PROTEIN
SORTING-ASSOCIATED
PROTEIN 29

(Homo sapiens) 		no annotation 4 PHE A  63
ASP A   8
HIS A 117
HIS A  10
 None
 0.84A 1ei6C-5oshA:
undetectable		 1ei6C-5oshA:
11.90
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.
5tj3 ALKALINE PHOSPHATASE
PAFA

(Elizabethkingia
meningoseptica) 		PF01663
(Phosphodiest) 		5 ASP A  38
ASP A 305
HIS A 309
HIS A 353
HIS A 486
 ZN  A 601 (-2.2A)
ZN  A 602 (-2.1A)
ZN  A 602 (-3.2A)
ZN  A 601 (-3.2A)
ZN  A 602 (-3.3A)
 0.41A 1ei6C-5tj3A:
25.7		 1ei6C-5tj3A:
23.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5udy ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 7

(Homo sapiens) 		PF01663
(Phosphodiest) 		6 ASP A  39
THR A  75
ASP A 199
HIS A 203
HIS A 247
HIS A 353
 ZN  A 501 (-2.0A)
ZN  A 501 (-2.6A)
ZN  A 502 (-2.3A)
ZN  A 502 (-3.3A)
ZN  A 501 (-3.1A)
ZN  A 502 (-3.3A)
 0.43A 1ei6C-5udyA:
28.9		 1ei6C-5udyA:
21.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vem ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 5

(Homo sapiens) 		PF01663
(Phosphodiest) 		6 ASP A  36
THR A  72
ASP A 191
HIS A 195
HIS A 239
HIS A 339
 ZN  A 501 (-2.0A)
ZN  A 501 (-2.4A)
ZN  A 502 (-2.0A)
ZN  A 502 (-3.2A)
ZN  A 501 (-3.1A)
ZN  A 502 (-3.2A)
 0.41A 1ei6C-5vemA:
27.9		 1ei6C-5vemA:
21.63
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.
5veo ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 5

(Mus musculus) 		PF01663
(Phosphodiest) 		5 ASP A  36
ASP A 191
HIS A 195
HIS A 239
HIS A 339
 ZN  A 502 ( 2.1A)
ZN  A 501 (-2.0A)
ZN  A 501 ( 3.2A)
ZN  A 502 ( 3.2A)
ZN  A 501 ( 3.2A)
 0.44A 1ei6C-5veoA:
28.0		 1ei6C-5veoA:
21.69
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.
5vpu 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Acinetobacter
baumannii) 		PF01676
(Metalloenzyme)
PF06415
(iPGM_N) 		5 ASP A  17
ASP A 403
HIS A 407
HIS A 445
HIS A 463
 MN  A 602 ( 2.2A)
MN  A 601 ( 2.0A)
MN  A 601 ( 3.2A)
MN  A 602 ( 3.2A)
MN  A 601 ( 3.2A)
 0.44A 1ei6C-5vpuA:
18.6		 1ei6C-5vpuA:
21.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5yjp HUMAN CHYMASE

(Homo sapiens) 		no annotation 4 PHE A 228
THR A 229
ASP A 102
HIS A  57
 None
None
8W6  A 304 (-3.9A)
8W6  A 304 (-3.7A)
 0.76A 1ei6C-5yjpA:
undetectable		 1ei6C-5yjpA:
9.83
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.
5yv5 ATPASE RIL

(Pyrococcus
furiosus) 		no annotation 4 ASP A 478
THR A 378
HIS A 512
ILE A 375
 MG  A 604 ( 3.9A)
MG  A 604 ( 3.1A)
None
ADP  A 602 (-4.2A)
 0.94A 1ei6C-5yv5A:
2.8		 1ei6C-5yv5A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5zov -

(-) 		no annotation 4 ASP A 314
HIS A 194
HIS A 135
ILE A 358
 ASC  A 501 (-2.7A)
ASC  A 501 (-4.0A)
ASC  A 501 (-4.0A)
ASC  A 501 ( 4.9A)
 0.98A 1ei6C-5zovA:
undetectable		 1ei6C-5zovA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6brm PUTATIVE
METAL-DEPENDENT
ISOTHIOCYANATE
HYDROLASE SAXA

(Pectobacterium
carotovorum) 		no annotation 4 ASP A  71
HIS A  72
ILE A 199
HIS A 221
 ZN  A 302 (-2.7A)
ZN  A 302 (-3.3A)
None
ZN  A 302 (-3.4A)
 0.79A 1ei6C-6brmA:
undetectable		 1ei6C-6brmA:
12.07
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.
6c01 ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 3

(Homo sapiens) 		no annotation 6 ASP A 167
THR A 205
ASP A 325
HIS A 329
HIS A 373
HIS A 483
 ZN  A 902 (-2.0A)
ZN  A 902 (-2.5A)
ZN  A 901 ( 2.1A)
ZN  A 901 ( 3.3A)
ZN  A 902 (-3.3A)
ZN  A 901 ( 3.3A)
 0.41A 1ei6C-6c01A:
8.4		 1ei6C-6c01A:
10.48
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.
6dk4 FERRIC UPTAKE
REGULATION PROTEIN

(Campylobacter
jejuni) 		no annotation 4 ASP A  97
HIS A  84
HIS A  30
ILE A  79
 MN  A 201 (-2.5A)
MN  A 201 (-3.4A)
MN  A 201 (-3.4A)
None
 0.85A 1ei6C-6dk4A:
undetectable		 1ei6C-6dk4A:
10.80
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.
6f2t -

(-) 		no annotation 6 ASP A 168
THR A 206
ASP A 326
HIS A 330
HIS A 374
HIS A 483
 ZN  A1002 (-2.0A)
ZN  A1002 ( 2.5A)
ZN  A1003 ( 2.1A)
ZN  A1003 (-3.2A)
ZN  A1002 (-3.1A)
ZN  A1003 ( 3.1A)
 0.50A 1ei6C-6f2tA:
4.5		 1ei6C-6f2tA:
undetectable