SIMILAR PATTERNS OF AMINO ACIDS FOR 1EI6_A_PPFA410

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.
1brt BROMOPEROXIDASE A2

(Kitasatospora
aureofaciens) 		PF00561
(Abhydrolase_1) 		4 THR A 236
ASP A 228
HIS A 257
HIS A 224
 None
 1.03A 1ei6A-1brtA:
undetectable		 1ei6A-1brtA:
23.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1eyw PHOSPHOTRIESTERASE

(Brevundimonas
diminuta) 		PF02126
(PTE) 		4 ASP A 301
HIS A  55
HIS A 254
HIS A 230
 ZN  A 401 ( 2.6A)
ZN  A 401 (-3.2A)
None
ZN  A 402 (-3.3A)
 0.87A 1ei6A-1eywA:
undetectable		 1ei6A-1eywA:
23.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hkh GAMMA LACTAMASE

(Microbacterium) 		PF00561
(Abhydrolase_1) 		4 THR A 238
ASP A 230
HIS A 259
HIS A 226
 None
 1.05A 1ei6A-1hkhA:
undetectable		 1ei6A-1hkhA:
23.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1j5s URONATE ISOMERASE

(Thermotoga
maritima) 		PF02614
(UxaC) 		4 THR A 151
ASP A 231
HIS A 290
HIS A  30
 None
 0.95A 1ei6A-1j5sA:
undetectable		 1ei6A-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.
1k7h ALKALINE PHOSPHATASE

(Pandalus
borealis) 		PF00245
(Alk_phosphatase) 		4 ASP A 315
HIS A 319
HIS A 357
HIS A 432
 ZN  A 477 (-2.1A)
ZN  A 477 (-3.2A)
ZN  A 478 (-3.1A)
ZN  A 477 (-3.2A)
 0.49A 1ei6A-1k7hA:
15.1		 1ei6A-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.
1kny KANAMYCIN
NUCLEOTIDYLTRANSFERA
SE

(Staphylococcus
aureus) 		PF07827
(KNTase_C) 		4 ASP A 200
HIS A 181
HIS A 241
HIS A 180
 None
 1.22A 1ei6A-1knyA:
undetectable		 1ei6A-1knyA:
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.
1o99 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Geobacillus
stearothermophilus) 		PF01676
(Metalloenzyme)
PF06415
(iPGM_N) 		4 ASP A 403
HIS A 407
HIS A 445
HIS A 462
 MN  A 601 ( 2.0A)
MN  A 601 ( 3.2A)
2PG  A 801 (-4.4A)
MN  A 601 ( 3.3A)
 0.48A 1ei6A-1o99A:
17.8		 1ei6A-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.
1pss PHOTOSYNTHETIC
REACTION CENTER

(Rhodobacter
sphaeroides) 		PF00124
(Photo_RC) 		4 THR L 226
HIS M 266
HIS L 230
HIS L 190
 U10  L 272 (-4.2A)
FE  M 302 (-3.3A)
FE  M 302 (-3.4A)
FE  M 302 ( 3.3A)
 1.24A 1ei6A-1pssL:
undetectable		 1ei6A-1pssL:
23.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1svv THREONINE ALDOLASE

(Leishmania
major) 		PF01212
(Beta_elim_lyase) 		4 THR A  40
ASP A  37
HIS A  50
HIS A  42
 UNL  A 401 ( 4.2A)
UNL  A 401 (-1.9A)
UNL  A 401 (-3.4A)
UNL  A 401 (-3.0A)
 1.18A 1ei6A-1svvA:
undetectable		 1ei6A-1svvA:
22.20
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.
1toa PROTEIN (PERIPLASMIC
BINDING PROTEIN
TROA)

(Treponema
pallidum) 		PF01297
(ZnuA) 		4 THR A 221
ASP A 279
HIS A 133
HIS A 199
 None
ZN  A 501 ( 2.0A)
ZN  A 501 ( 3.5A)
ZN  A 501 ( 3.4A)
 1.24A 1ei6A-1toaA:
undetectable		 1ei6A-1toaA:
21.90
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.
1zef ALKALINE PHOSPHATASE

(Homo sapiens) 		PF00245
(Alk_phosphatase) 		4 ASP A 316
HIS A 320
HIS A 358
HIS A 432
 ZN  A 901 ( 1.9A)
ZN  A 901 ( 3.3A)
ZN  A 902 (-3.2A)
ZN  A 901 ( 3.2A)
 0.46A 1ei6A-1zefA:
15.4		 1ei6A-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.
1zkp HYPOTHETICAL PROTEIN
BA1088

(Bacillus
anthracis) 		PF12706
(Lactamase_B_2) 		4 ASP A 155
HIS A 211
HIS A  59
HIS A  64
 ZN  A 246 ( 2.4A)
ZN  A 246 (-3.2A)
ZN  A 245 (-3.3A)
ZN  A 246 (-3.2A)
 1.22A 1ei6A-1zkpA:
undetectable		 1ei6A-1zkpA:
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.
2a7m N-ACYL HOMOSERINE
LACTONE HYDROLASE

(Bacillus
thuringiensis) 		PF00753
(Lactamase_B) 		4 ASP A 191
HIS A 235
HIS A 104
HIS A 109
 ZN  A 251 ( 2.4A)
ZN  A 251 (-3.3A)
ZN  A 252 (-3.3A)
ZN  A 251 (-3.2A)
 1.23A 1ei6A-2a7mA:
undetectable		 1ei6A-2a7mA:
20.65
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.
2az4 HYPOTHETICAL PROTEIN
EF2904

(Enterococcus
faecalis) 		PF12706
(Lactamase_B_2) 		4 ASP A 189
HIS A 404
HIS A  92
HIS A  97
 ZN  A 602 ( 2.5A)
ZN  A 602 (-3.5A)
ZN  A 601 (-3.4A)
ZN  A 602 (-3.3A)
 1.02A 1ei6A-2az4A:
undetectable		 1ei6A-2az4A:
22.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2cbn RIBONUCLEASE Z

(Escherichia
coli) 		PF12706
(Lactamase_B_2) 		4 ASP A 212
HIS A 270
HIS A  64
HIS A  69
 ZN  A 402 ( 2.3A)
ZN  A 402 (-3.3A)
ZN  A 401 (-3.4A)
ZN  A 402 (-3.3A)
 1.23A 1ei6A-2cbnA:
undetectable		 1ei6A-2cbnA:
21.88
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.
2gsn PHOSPHODIESTERASE-NU
CLEOTIDE
PYROPHOSPHATASE

(Xanthomonas
citri) 		PF01663
(Phosphodiest) 		5 THR A  90
ASP A 210
HIS A 214
HIS A 258
HIS A 363
 ZN  A1000 (-2.4A)
ZN  A1001 (-2.0A)
ZN  A1001 (-3.2A)
ZN  A1000 (-3.2A)
ZN  A1001 (-3.3A)
 0.62A 1ei6A-2gsnA:
28.1		 1ei6A-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.
2huo INOSITOL OXYGENASE

(Mus musculus) 		PF05153
(MIOX) 		4 THR A 102
ASP A 253
HIS A 220
HIS A  98
 None
FE  A 301 ( 2.5A)
FE  A 302 (-3.2A)
FE  A 301 (-3.2A)
 1.25A 1ei6A-2huoA:
undetectable		 1ei6A-2huoA:
20.48
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.
2ibn INOSITOL OXYGENASE

(Homo sapiens) 		PF05153
(MIOX) 		4 THR A 102
ASP A 253
HIS A 220
HIS A  98
 None
FE  A 703 (-2.5A)
FE  A 704 ( 3.4A)
FE  A 703 (-3.2A)
 1.21A 1ei6A-2ibnA:
undetectable		 1ei6A-2ibnA:
16.83
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.
2ify 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Bacillus
anthracis) 		PF01676
(Metalloenzyme)
PF06415
(iPGM_N) 		4 ASP A 402
HIS A 406
HIS A 444
HIS A 461
 MN  A 601 (-2.4A)
MN  A 601 (-3.6A)
MN  A 701 (-3.3A)
MN  A 601 (-3.4A)
 0.49A 1ei6A-2ifyA:
18.0		 1ei6A-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) 		4 ASP B 259
HIS B 263
HIS B 302
HIS B 337
 ZN  B1006 (-2.1A)
ZN  B1006 (-3.2A)
ZN  B1007 (-3.1A)
ZN  B1006 ( 3.3A)
 0.38A 1ei6A-2iucB:
17.3		 1ei6A-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.
2ixd LMBE-RELATED PROTEIN

(Bacillus cereus) 		PF02585
(PIG-L) 		4 THR A  40
ASP A 112
HIS A 110
HIS A  12
 None
None
ACT  A1235 ( 4.6A)
ZN  A1234 ( 3.1A)
 1.21A 1ei6A-2ixdA:
undetectable		 1ei6A-2ixdA:
21.95
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.
2ohh TYPE A FLAVOPROTEIN
FPRA

(Methanothermobacter
thermautotrophicus) 		PF00258
(Flavodoxin_1)
PF00753
(Lactamase_B) 		4 ASP A 170
HIS A 233
HIS A  83
HIS A  88
 FE  A 501 ( 2.3A)
FE  A 501 (-3.2A)
None
FE  A 501 (-3.1A)
 1.01A 1ei6A-2ohhA:
undetectable		 1ei6A-2ohhA:
22.20
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.
2p4z METAL-DEPENDENT
HYDROLASES OF THE
BETA-LACTAMASE
SUPERFAMILY II

(Caldanaerobacter
subterraneus) 		PF00753
(Lactamase_B) 		4 ASP A  80
HIS A  81
HIS A  32
HIS A 255
 FE  A1002 (-2.5A)
FE  A1002 (-3.4A)
None
FE  A1002 (-3.5A)
 1.06A 1ei6A-2p4zA:
undetectable		 1ei6A-2p4zA:
19.66
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.
2paj PUTATIVE
CYTOSINE/GUANINE
DEAMINASE

(unidentified) 		PF01979
(Amidohydro_1) 		4 ASP A 336
HIS A  78
HIS A 285
HIS A 248
 ZN  A 493 (-2.9A)
ZN  A 493 (-3.2A)
ZN  A 493 (-3.5A)
ZN  A 493 (-3.2A)
 1.03A 1ei6A-2pajA:
undetectable		 1ei6A-2pajA:
22.42
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.
2q01 URONATE ISOMERASE

(Caulobacter
vibrioides) 		PF02614
(UxaC) 		4 THR A 169
ASP A 249
HIS A 307
HIS A  39
 None
 0.93A 1ei6A-2q01A:
undetectable		 1ei6A-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
 0.91A 1ei6A-2q0tA:
undetectable		 1ei6A-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.
2r2d ZN-DEPENDENT
HYDROLASES

(Agrobacterium
fabrum) 		PF00753
(Lactamase_B) 		4 ASP A 213
HIS A 259
HIS A 111
HIS A 116
 ZN  A 277 (-2.0A)
ZN  A 277 (-3.2A)
ZN  A 278 ( 3.2A)
ZN  A 277 ( 3.2A)
 1.20A 1ei6A-2r2dA:
undetectable		 1ei6A-2r2dA:
23.51
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.
2rds FE(II)/ALPHA-KETOGL
UTARATE DEPENDENT
HYDROXYLASE
1-DEOXYPENTALENIC
ACID 11-BETA
HYDROXYLASE

(Streptomyces
avermitilis) 		PF05721
(PhyH) 		4 THR A 151
ASP A 139
HIS A 137
HIS A 226
 OGA  A 268 (-3.8A)
FE  A   1 ( 2.6A)
FE  A   1 (-3.4A)
FE  A   1 ( 3.4A)
 1.16A 1ei6A-2rdsA:
undetectable		 1ei6A-2rdsA:
21.98
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.
2wym L-ASCORBATE-6-PHOSPH
ATE LACTONASE ULAG

(Escherichia
coli) 		PF13483
(Lactamase_B_3) 		4 ASP A 226
HIS A 281
HIS A 117
HIS A 122
 MN  A1341 (-3.6A)
MN  A1341 (-3.6A)
None
MN  A1341 (-3.4A)
 1.11A 1ei6A-2wymA:
undetectable		 1ei6A-2wymA:
21.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2x98 ALKALINE PHOSPHATASE

(Halobacterium
salinarum) 		PF00245
(Alk_phosphatase) 		4 ASP A 304
HIS A 308
HIS A 347
HIS A 435
 ZN  A1475 ( 2.0A)
ZN  A1475 ( 3.2A)
ZN  A1476 ( 3.1A)
ZN  A1475 ( 3.2A)
 0.38A 1ei6A-2x98A:
15.9		 1ei6A-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.
2yhe SEC-ALKYL SULFATASE

(Pseudomonas sp.
DSM 6611) 		PF00753
(Lactamase_B)
PF14863
(Alkyl_sulf_dimr)
PF14864
(Alkyl_sulf_C) 		4 ASP A 310
HIS A 355
HIS A 179
HIS A 184
 ZN  A 700 ( 2.6A)
ZN  A 700 (-3.2A)
ZN  A 701 (-3.3A)
ZN  A 700 (-3.2A)
 1.19A 1ei6A-2yheA:
undetectable		 1ei6A-2yheA:
23.56
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.
2zkt 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Pyrococcus
horikoshii) 		PF01676
(Metalloenzyme)
PF10143
(PhosphMutase) 		4 ASP A 305
HIS A 309
HIS A 347
HIS A 356
 ZN  A 415 (-2.3A)
ZN  A 415 (-3.5A)
ZN  A 414 (-3.5A)
ZN  A 415 (-3.5A)
 0.48A 1ei6A-2zktA:
17.6		 1ei6A-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.
2zm2 6-AMINOHEXANOATE-DIM
ER HYDROLASE

(Flavobacterium
sp.) 		PF00144
(Beta-lactamase) 		4 THR A 197
ASP A 221
HIS A 266
HIS A 180
 None
None
MES  A 504 (-4.0A)
MES  A 504 (-4.2A)
 1.01A 1ei6A-2zm2A:
undetectable		 1ei6A-2zm2A:
23.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3a52 COLD-ACTIVE ALKALINE
PHOSPHATASE

(Shewanella sp.
AP1) 		PF00245
(Alk_phosphatase) 		4 ASP A 227
HIS A 231
HIS A 270
HIS A 362
 ZN  A1001 ( 2.0A)
ZN  A1001 ( 3.2A)
ZN  A1001 (-4.8A)
ZN  A1001 ( 3.3A)
 0.44A 1ei6A-3a52A:
17.2		 1ei6A-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.
3b2r CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE

(Homo sapiens) 		PF00233
(PDEase_I) 		4 THR A 723
ASP A 654
HIS A 613
HIS A 684
 None
None
VDN  A   1 (-4.3A)
None
 0.99A 1ei6A-3b2rA:
undetectable		 1ei6A-3b2rA:
22.25
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.
3bv6 METAL-DEPENDENT
HYDROLASE

(Vibrio cholerae) 		PF13483
(Lactamase_B_3) 		4 ASP A 227
HIS A 282
HIS A 117
HIS A 122
 FE  A 401 ( 2.5A)
FE  A 402 (-3.4A)
FE  A 401 (-3.1A)
FE  A 402 (-3.3A)
 1.05A 1ei6A-3bv6A:
undetectable		 1ei6A-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.
3dcl TM1086

(Thermotoga
maritima) 		PF14505
(DUF4438) 		4 ASP A 197
HIS A 251
HIS A 243
HIS A  60
 None
 1.14A 1ei6A-3dclA:
undetectable		 1ei6A-3dclA:
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.
3e0l GUANINE DEAMINASE

(Homo sapiens) 		PF01979
(Amidohydro_1) 		4 ASP A 328
HIS A  84
HIS A 277
HIS A 238
 ZN  A1452 (-2.8A)
ZN  A1452 (-3.1A)
None
ZN  A1452 (-3.2A)
 0.94A 1ei6A-3e0lA:
undetectable		 1ei6A-3e0lA:
22.20
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.
3e2d ALKALINE PHOSPHATASE

(Vibrio sp.
G15-21) 		PF00245
(Alk_phosphatase) 		4 ASP A 273
HIS A 277
HIS A 316
HIS A 465
 ZN  A 601 ( 2.1A)
ZN  A 601 (-3.2A)
ZN  A 602 ( 3.2A)
ZN  A 601 ( 3.2A)
 0.37A 1ei6A-3e2dA:
16.3		 1ei6A-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.
3g1p PROTEIN PHNP

(Escherichia
coli) 		PF12706
(Lactamase_B_2) 		4 ASP A 164
HIS A 143
HIS A 222
HIS A 200
 MN  A 401 (-2.1A)
MN  A 400 ( 3.4A)
MN  A 401 (-3.7A)
MLT  A 500 (-4.1A)
 1.18A 1ei6A-3g1pA:
undetectable		 1ei6A-3g1pA:
21.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hea ARYLESTERASE

(Pseudomonas
fluorescens) 		PF00561
(Abhydrolase_1) 		4 THR A 230
ASP A 222
HIS A 251
HIS A 218
 None
None
EEE  A 300 (-4.3A)
None
 1.10A 1ei6A-3heaA:
undetectable		 1ei6A-3heaA:
22.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3igz COFACTOR-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Leishmania
mexicana) 		PF01676
(Metalloenzyme)
PF06415
(iPGM_N) 		4 ASP B 425
HIS B 429
HIS B 467
HIS B 496
 CO  B 562 (-2.1A)
CO  B 562 (-3.2A)
CO  B 563 ( 3.1A)
CO  B 562 (-3.3A)
 0.40A 1ei6A-3igzB:
17.9		 1ei6A-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.
3lkd TYPE I
RESTRICTION-MODIFICA
TION SYSTEM
METHYLTRANSFERASE
SUBUNIT

(Streptococcus
thermophilus) 		PF02384
(N6_Mtase)
PF12161
(HsdM_N) 		4 THR A 292
ASP A 289
HIS A 342
HIS A 346
 None
 1.19A 1ei6A-3lkdA:
undetectable		 1ei6A-3lkdA:
22.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3m8y PHOSPHOPENTOMUTASE

(Bacillus cereus) 		PF01676
(Metalloenzyme) 		4 ASP A 286
HIS A 291
HIS A 328
HIS A 339
 MN  A 395 (-2.2A)
MN  A 395 (-3.4A)
MN  A 396 (-3.3A)
MN  A 395 (-3.4A)
 0.43A 1ei6A-3m8yA:
15.3		 1ei6A-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.
3mfq HIGH-AFFINITY ZINC
UPTAKE SYSTEM
PROTEIN ZNUA

(Streptococcus
suis) 		PF01297
(ZnuA) 		4 THR A 219
ASP A 281
HIS A 131
HIS A 197
 ZN  A 401 ( 4.8A)
ZN  A 401 (-2.1A)
ZN  A 401 (-3.4A)
ZN  A 401 (-3.4A)
 1.21A 1ei6A-3mfqA:
undetectable		 1ei6A-3mfqA:
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.
3mpg DIHYDROOROTASE

(Bacillus
anthracis) 		PF01979
(Amidohydro_1) 		4 ASP A 151
HIS A 178
HIS A  59
HIS A 231
 ZN  A 429 ( 2.7A)
ZN  A 430 (-3.3A)
ZN  A 429 (-3.4A)
ZN  A 430 (-3.6A)
 1.19A 1ei6A-3mpgA:
undetectable		 1ei6A-3mpgA:
24.54
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.
3nvl 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Trypanosoma
brucei) 		PF01676
(Metalloenzyme)
PF06415
(iPGM_N) 		4 ASP A 424
HIS A 428
HIS A 466
HIS A 495
 CO  A 554 (-2.3A)
CO  A 554 (-3.3A)
CO  A 553 (-3.2A)
CO  A 554 (-3.3A)
 0.45A 1ei6A-3nvlA:
17.9		 1ei6A-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.
3ob8 BETA-GALACTOSIDASE

(Kluyveromyces
lactis) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF02929
(Bgal_small_N) 		4 ASP A 401
HIS A 471
HIS A 327
HIS A 326
 None
 1.24A 1ei6A-3ob8A:
undetectable		 1ei6A-3ob8A:
17.42
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.
3od2 NICKEL-RESPONSIVE
REGULATORY PROTEIN

(Escherichia
coli) 		PF01402
(RHH_1)
PF08753
(NikR_C) 		4 THR A  74
ASP A 114
HIS A 110
HIS A  78
 None
NI  A 137 (-3.1A)
NI  A 137 (-3.3A)
NI  A 137 (-3.3A)
 1.06A 1ei6A-3od2A:
2.6		 1ei6A-3od2A:
18.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3oui EGL NINE HOMOLOG 1

(Homo sapiens) 		PF13640
(2OG-FeII_Oxy_3) 		4 THR A 325
ASP A 315
HIS A 313
HIS A 374
 None
FE2  A   1 ( 2.5A)
FE2  A   1 ( 3.3A)
FE2  A   1 ( 3.2A)
 1.22A 1ei6A-3ouiA:
undetectable		 1ei6A-3ouiA:
18.70
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.
3ox4 ALCOHOL
DEHYDROGENASE 2

(Zymomonas
mobilis) 		PF00465
(Fe-ADH) 		4 THR A 197
ASP A 194
HIS A 277
HIS A 198
 None
FE2  A 501 (-2.2A)
NAD  A1385 ( 3.6A)
FE2  A 501 (-3.3A)
 1.19A 1ei6A-3ox4A:
undetectable		 1ei6A-3ox4A:
23.13
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.
3pao ADENOSINE DEAMINASE

(Pseudomonas
aeruginosa) 		PF00962
(A_deaminase) 		4 ASP A 277
HIS A  18
HIS A 220
HIS A 196
 ZN  A 327 ( 2.6A)
ADE  A 328 ( 3.0A)
ADE  A 328 ( 4.2A)
ZN  A 327 ( 3.5A)
 1.07A 1ei6A-3paoA:
undetectable		 1ei6A-3paoA:
20.10
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.
3py6 BETA-LACTAMASE-LIKE

(Brucella
abortus) 		PF12706
(Lactamase_B_2) 		4 ASP A 188
HIS A 170
HIS A 241
HIS A 219
 MN  A 300 (-2.5A)
MN  A 301 ( 3.4A)
MN  A 300 ( 3.4A)
5GP  A 303 (-4.1A)
 1.21A 1ei6A-3py6A:
undetectable		 1ei6A-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) 		5 THR A  89
ASP A 300
HIS A 304
HIS A 346
HIS A 491
 ZN  A1559 ( 2.6A)
ZN  A1561 ( 2.1A)
ZN  A1561 ( 3.2A)
ZN  A1559 ( 3.2A)
ZN  A1561 ( 3.2A)
 0.47A 1ei6A-3q3qA:
25.6		 1ei6A-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.
3ss7 D-SERINE DEHYDRATASE

(Escherichia
coli) 		PF00291
(PALP) 		4 THR X  32
ASP X 358
HIS X 300
HIS X 407
 None
 1.17A 1ei6A-3ss7X:
3.1		 1ei6A-3ss7X:
21.12
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) 		4 ASP A 211
HIS A 215
HIS A 251
HIS A 377
 ZN  A 502 (-2.2A)
ZN  A 502 ( 3.3A)
ZN  A 501 ( 3.0A)
ZN  A 502 ( 3.2A)
 0.18A 1ei6A-3t02A:
61.7		 1ei6A-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.
3two MANNITOL
DEHYDROGENASE

(Helicobacter
pylori) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 ASP A 120
HIS A 128
HIS A 123
HIS A  25
 None
 1.24A 1ei6A-3twoA:
undetectable		 1ei6A-3twoA:
21.25
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.
3wbh ALKALINE PHOSPHATASE

(Halomonas sp.
#593) 		PF00245
(Alk_phosphatase) 		4 ASP A 269
HIS A 273
HIS A 312
HIS A 461
 ZN  A 504 ( 2.1A)
ZN  A 504 (-3.4A)
ZN  A 505 (-3.1A)
ZN  A 504 ( 3.5A)
 0.37A 1ei6A-3wbhA:
16.8		 1ei6A-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.
3we7 PUTATIVE
UNCHARACTERIZED
PROTEIN PH0499

(Pyrococcus
horikoshii) 		PF02585
(PIG-L) 		4 THR A  72
ASP A 154
HIS A 152
HIS A  44
 None
None
GOL  A 302 (-3.9A)
ZN  A 301 (-3.2A)
 1.18A 1ei6A-3we7A:
undetectable		 1ei6A-3we7A:
20.91
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.
3wl4 UNCHARACTERIZED
PROTEIN

(Pyrococcus
furiosus) 		PF02585
(PIG-L) 		4 THR A  68
ASP A 150
HIS A 148
HIS A  40
 None
None
TAM  A 309 (-4.8A)
CD  A 301 ( 3.4A)
 1.16A 1ei6A-3wl4A:
undetectable		 1ei6A-3wl4A:
20.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4b56 ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 1

(Mus musculus) 		PF01033
(Somatomedin_B)
PF01223
(Endonuclease_NS)
PF01663
(Phosphodiest) 		5 THR A 238
ASP A 358
HIS A 362
HIS A 406
HIS A 517
 ZN  A1002 ( 2.3A)
ZN  A1001 (-2.1A)
ZN  A1001 ( 3.2A)
ZN  A1002 (-3.2A)
ZN  A1001 ( 3.3A)
 0.48A 1ei6A-4b56A:
5.1		 1ei6A-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.
4cob KYNURENINE
FORMAMIDASE

(Pseudomonas
aeruginosa) 		PF04199
(Cyclase) 		4 ASP A  56
HIS A  60
HIS A  54
HIS A  50
 ZN  A 401 ( 2.5A)
ZN  A 401 ( 4.8A)
ZN  A 402 (-3.3A)
ZN  A 402 (-3.3A)
 1.23A 1ei6A-4cobA:
undetectable		 1ei6A-4cobA:
21.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dyk AMIDOHYDROLASE

(Pseudomonas
aeruginosa) 		PF01979
(Amidohydro_1) 		4 ASP A 309
HIS A  74
HIS A 258
HIS A 221
 ZN  A 501 (-2.6A)
ZN  A 501 (-3.2A)
None
ZN  A 501 (-3.3A)
 0.97A 1ei6A-4dykA:
undetectable		 1ei6A-4dykA:
25.10
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.
4eih ABELSON
TYROSINE-PROTEIN
KINASE 2

(Homo sapiens) 		PF00017
(SH2) 		4 THR A 233
ASP A 253
HIS A 247
HIS A 248
 None
 1.25A 1ei6A-4eihA:
undetectable		 1ei6A-4eihA:
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.
4ewl 1D-MYO-INOSITOL
2-ACETAMIDO-2-DEOXY-
ALPHA-D-GLUCOPYRANOS
IDE DEACETYLASE

(Mycobacterium
tuberculosis) 		PF02585
(PIG-L) 		4 THR A  41
ASP A 146
HIS A 144
HIS A  13
 None
None
GOL  A 405 (-4.0A)
ZN  A 403 (-3.1A)
 1.16A 1ei6A-4ewlA:
undetectable		 1ei6A-4ewlA:
23.68
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.
4gxw ADENOSINE DEAMINASE

(Burkholderia
ambifaria) 		PF00962
(A_deaminase) 		4 ASP A 300
HIS A  36
HIS A 240
HIS A 215
 ZN  A 401 (-2.6A)
ZN  A 401 (-3.3A)
None
ZN  A 401 (-3.4A)
 1.08A 1ei6A-4gxwA:
undetectable		 1ei6A-4gxwA:
25.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4iq4 NON-HAEM
BROMOPEROXIDASE
BPO-A2, MATRIX
PROTEIN 1

(Influenza A
virus;
Kitasatospora
aureofaciens) 		PF00561
(Abhydrolase_1)
PF00598
(Flu_M1) 		4 THR A 236
ASP A 228
HIS A 257
HIS A 224
 None
 1.03A 1ei6A-4iq4A:
undetectable		 1ei6A-4iq4A:
23.49
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.
4kq8 CYTOCHROME P450 19A1

(Homo sapiens) 		PF00067
(p450) 		4 ASP A 381
HIS A 111
HIS A 105
HIS A 109
 None
PO4  A 603 (-4.0A)
None
PO4  A 603 (-3.6A)
 1.10A 1ei6A-4kq8A:
undetectable		 1ei6A-4kq8A:
22.31
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.
4lr2 BIS(5'-ADENOSYL)-TRI
PHOSPHATASE ENPP4

(Homo sapiens) 		PF01663
(Phosphodiest) 		5 THR A  70
ASP A 189
HIS A 193
HIS A 238
HIS A 336
 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 1ei6A-4lr2A:
7.7		 1ei6A-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.
4me4 METAL DEPENDENT
PHOSPHOHYDROLASE

(Persephonella
marina) 		PF01590
(GAF)
PF01966
(HD) 		4 ASP A 222
HIS A 250
HIS A 221
HIS A 276
 FE  A 402 ( 2.5A)
FE  A 401 ( 3.4A)
IMD  A 407 (-3.6A)
FE  A 401 (-3.4A)
 1.05A 1ei6A-4me4A:
undetectable		 1ei6A-4me4A:
21.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4n7t PHOSPHOPENTOMUTASE

(Streptococcus
mutans) 		PF01676
(Metalloenzyme) 		4 ASP A 298
HIS A 303
HIS A 340
HIS A 351
 MN  A 502 (-2.2A)
MN  A 502 (-3.3A)
MN  A 501 (-3.2A)
MN  A 502 (-3.2A)
 0.51A 1ei6A-4n7tA:
13.9		 1ei6A-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.
4q2c CRISPR-ASSOCIATED
HELICASE CAS3

(Thermobaculum
terrenum) 		PF00271
(Helicase_C) 		4 ASP A  99
HIS A 138
HIS A 171
HIS A 172
 NI  A1001 (-2.7A)
NI  A1002 (-3.3A)
NI  A1002 (-3.3A)
NI  A1002 ( 3.3A)
 1.19A 1ei6A-4q2cA:
undetectable		 1ei6A-4q2cA:
18.35
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.
4qax 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Staphylococcus
aureus) 		PF01676
(Metalloenzyme)
PF06415
(iPGM_N) 		4 ASP A 397
HIS A 401
HIS A 439
HIS A 456
 MN  A 601 (-2.4A)
MN  A 601 (-3.4A)
MN  A 602 (-3.2A)
MN  A 601 (-3.6A)
 0.54A 1ei6A-4qaxA:
18.4		 1ei6A-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.
4qn9 N-ACYL-PHOSPHATIDYLE
THANOLAMINE-HYDROLYZ
ING PHOSPHOLIPASE D

(Homo sapiens) 		PF12706
(Lactamase_B_2) 		4 ASP A 284
HIS A 343
HIS A 185
HIS A 190
 ZN  A 502 (-2.5A)
ZN  A 502 ( 3.6A)
ZN  A 501 (-3.6A)
ZN  A 502 (-3.5A)
 1.20A 1ei6A-4qn9A:
undetectable		 1ei6A-4qn9A:
21.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xaa PUTATIVE OXYGENASE

(Streptomyces
viridochromogenes) 		PF05721
(PhyH) 		4 ASP A 127
HIS A 125
HIS A 190
HIS A 196
 NI  A 301 (-2.5A)
NI  A 301 (-3.4A)
None
NI  A 301 (-3.4A)
 1.25A 1ei6A-4xaaA:
undetectable		 1ei6A-4xaaA:
20.19
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.
4xac EVDO2

(Micromonospora
carbonacea) 		PF05721
(PhyH) 		4 ASP A 131
HIS A 129
HIS A 209
HIS A 215
 NI  A 301 (-2.5A)
NI  A 301 (-3.3A)
AKG  A 303 (-4.4A)
NI  A 301 ( 3.3A)
 1.09A 1ei6A-4xacA:
undetectable		 1ei6A-4xacA:
20.24
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.
4xbz EVDO1

(Micromonospora
carbonacea) 		PF05721
(PhyH) 		4 ASP A 141
HIS A 139
HIS A 217
HIS A 223
 NI  A 401 (-2.7A)
NI  A 401 (-3.6A)
None
NI  A 401 (-3.5A)
 1.06A 1ei6A-4xbzA:
undetectable		 1ei6A-4xbzA:
21.17
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.
4yr1 ALKALINE PHOSPHATASE

(Escherichia
coli) 		PF00245
(Alk_phosphatase) 		4 ASP A 327
HIS A 331
HIS A 370
HIS A 412
 ZN  A 502 (-1.7A)
ZN  A 502 ( 3.3A)
ZN  A 501 ( 3.2A)
ZN  A 502 ( 3.3A)
 0.42A 1ei6A-4yr1A:
15.3		 1ei6A-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) 		5 THR A 210
ASP A 312
HIS A 316
HIS A 360
HIS A 475
 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)
 0.44A 1ei6A-4zg7A:
6.5		 1ei6A-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.
4zo3 ACYLHOMOSERINE
LACTONASE

(Chryseobacterium
sp. StRB126) 		PF00753
(Lactamase_B) 		4 ASP A 258
HIS A 305
HIS A 145
HIS A 150
 ZN  A 402 (-2.3A)
ZN  A 402 ( 3.3A)
ZN  A 401 (-3.3A)
ZN  A 402 (-3.2A)
 1.12A 1ei6A-4zo3A:
undetectable		 1ei6A-4zo3A:
22.87
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.
5cgz 4-OXALMESACONATE
HYDRATASE

(Pseudomonas
putida) 		PF02585
(PIG-L) 		4 ASP A  17
HIS A  14
HIS A 117
HIS A 127
 ZN  A 301 (-2.2A)
ZN  A 301 (-3.1A)
None
ZN  A 301 (-3.4A)
 1.09A 1ei6A-5cgzA:
undetectable		 1ei6A-5cgzA:
20.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5deu METHYLCYTOSINE
DIOXYGENASE TET2,
CHIMERIC CONSTRUCT

(Homo sapiens) 		PF12851
(Tet_JBP) 		4 THR A1393
ASP A1384
HIS A1382
HIS A1881
 CL  A2007 (-4.5A)
FE  A2003 ( 2.4A)
FE  A2003 (-3.3A)
FE  A2003 ( 3.2A)
 0.98A 1ei6A-5deuA:
undetectable		 1ei6A-5deuA:
22.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ege ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 6

(Mus musculus) 		PF01663
(Phosphodiest) 		4 ASP A 193
HIS A 197
HIS A 241
HIS A 354
 ZN  A 508 (-2.1A)
ZN  A 508 ( 3.2A)
ZN  A 509 (-3.4A)
ZN  A 508 (-3.3A)
 0.45A 1ei6A-5egeA:
30.0		 1ei6A-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.
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)
 1.31A 1ei6A-5epaA:
undetectable		 1ei6A-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.
5equ SNON,SNON

(Streptomyces
nogalater) 		PF05721
(PhyH) 		5 THR A 146
ASP A 132
HIS A 130
HIS A 207
HIS A 213
 AKG  A 301 ( 4.3A)
FE  A 300 (-2.2A)
FE  A 300 (-3.1A)
AKG  A 301 (-4.2A)
FE  A 300 ( 3.2A)
 1.22A 1ei6A-5equA:
undetectable		 1ei6A-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) 		5 THR A 185
ASP A 305
HIS A 309
HIS A 353
HIS A 462
 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)
 0.43A 1ei6A-5gz4A:
27.4		 1ei6A-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.
5kgn 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Caenorhabditis
elegans) 		PF01676
(Metalloenzyme)
PF06415
(iPGM_N) 		4 ASP A 426
HIS A 430
HIS A 468
HIS A 485
 MN  A 604 (-2.2A)
MN  A 604 (-3.4A)
ZN  A 605 (-3.1A)
MN  A 604 (-3.3A)
 0.53A 1ei6A-5kgnA:
17.9		 1ei6A-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.
5mtz RIBONUCLEASE Z

(Saccharomyces
cerevisiae) 		PF13691
(Lactamase_B_4) 		4 ASP A 699
HIS A 759
HIS A 540
HIS A 545
 ZN  A 902 (-2.3A)
ZN  A 902 ( 3.2A)
ZN  A 901 (-3.4A)
ZN  A 902 (-3.4A)
 1.21A 1ei6A-5mtzA:
undetectable		 1ei6A-5mtzA:
19.24
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.
5tj3 ALKALINE PHOSPHATASE
PAFA

(Elizabethkingia
meningoseptica) 		PF01663
(Phosphodiest) 		4 ASP A 305
HIS A 309
HIS A 353
HIS A 486
 ZN  A 602 (-2.1A)
ZN  A 602 (-3.2A)
ZN  A 601 (-3.2A)
ZN  A 602 (-3.3A)
 0.37A 1ei6A-5tj3A:
25.6		 1ei6A-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) 		5 THR A  75
ASP A 199
HIS A 203
HIS A 247
HIS A 353
 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)
 0.48A 1ei6A-5udyA:
28.9		 1ei6A-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) 		5 THR A  72
ASP A 191
HIS A 195
HIS A 239
HIS A 339
 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)
 0.36A 1ei6A-5vemA:
27.9		 1ei6A-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) 		4 ASP A 191
HIS A 195
HIS A 239
HIS A 339
 ZN  A 501 (-2.0A)
ZN  A 501 ( 3.2A)
ZN  A 502 ( 3.2A)
ZN  A 501 ( 3.2A)
 0.36A 1ei6A-5veoA:
8.0		 1ei6A-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) 		4 ASP A 403
HIS A 407
HIS A 445
HIS A 463
 MN  A 601 ( 2.0A)
MN  A 601 ( 3.2A)
MN  A 602 ( 3.2A)
MN  A 601 ( 3.2A)
 0.37A 1ei6A-5vpuA:
18.5		 1ei6A-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.
5w57 PERIPLASMIC SOLUTE
BINDING PROTEIN

(Paracoccus
denitrificans) 		PF01297
(ZnuA) 		4 THR A 226
ASP A 279
HIS A 138
HIS A 204
 None
ZN  A 401 (-2.3A)
ZN  A 401 (-3.4A)
ZN  A 401 (-3.5A)
 1.17A 1ei6A-5w57A:
undetectable		 1ei6A-5w57A:
21.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6ax6 PROCOLLAGEN LYSYL
HYDROXYLASE AND
GLYCOSYLTRANSFERASE

(Acanthamoeba
polyphaga
mimivirus) 		no annotation 4 ASP A 827
HIS A 825
HIS A 869
HIS A 877
 FE2  A 934 ( 2.8A)
FE2  A 934 (-3.6A)
None
FE2  A 934 (-3.5A)
 1.09A 1ei6A-6ax6A:
undetectable		 1ei6A-6ax6A:
12.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6c01 ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 3

(Homo sapiens) 		no annotation 5 THR A 205
ASP A 325
HIS A 329
HIS A 373
HIS A 483
 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)
 0.44A 1ei6A-6c01A:
25.7		 1ei6A-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.
6ch0 -

(-) 		no annotation 4 ASP C 220
HIS C 266
HIS C 118
HIS C 123
 CO  C 301 (-2.1A)
CO  C 301 ( 3.3A)
CO  C 302 (-3.3A)
CO  C 301 (-3.3A)
 1.22A 1ei6A-6ch0C:
undetectable		 1ei6A-6ch0C:
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.
6dch SCOE PROTEIN

(Streptomyces
coeruleorubidus) 		no annotation 4 THR A 145
ASP A 134
HIS A 132
HIS A 295
 None
ZN  A 403 (-2.4A)
ZN  A 403 (-3.2A)
ZN  A 403 ( 3.2A)
 1.23A 1ei6A-6dchA:
undetectable		 1ei6A-6dchA:
15.02
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.
6f2t -

(-) 		no annotation 5 THR A 206
ASP A 326
HIS A 330
HIS A 374
HIS A 483
 ZN  A1002 ( 2.5A)
ZN  A1003 ( 2.1A)
ZN  A1003 (-3.2A)
ZN  A1002 (-3.1A)
ZN  A1003 ( 3.1A)
 0.54A 1ei6A-6f2tA:
26.9		 1ei6A-6f2tA:
undetectable