SIMILAR PATTERNS OF AMINO ACIDS FOR 1E9Y_B_HAEB800_1

List of similar pattern of amino acids derived from ASSAM search

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

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1a5l UREASE (ALPHA
SUBUNIT)

(Klebsiella
aerogenes) 		PF00449
(Urease_alpha)
PF01979
(Amidohydro_1) 		4 HIS C 134
HIS C 219
HIS C 246
ASP C 360
 None
 0.37A 1e9yB-1a5lC:
61.8		 1e9yB-1a5lC:
61.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1a5l UREASE (ALPHA
SUBUNIT)

(Klebsiella
aerogenes) 		PF00449
(Urease_alpha)
PF01979
(Amidohydro_1) 		4 HIS C 134
HIS C 219
HIS C 246
HIS C 272
 None
 0.92A 1e9yB-1a5lC:
61.8		 1e9yB-1a5lC:
61.69
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.
1ak0 P1 NUCLEASE

(Penicillium
citrinum) 		PF02265
(S1-P1_nuclease) 		4 HIS A 116
HIS A 126
HIS A   6
ASP A  45
 ZN  A 271 (-3.5A)
ZN  A 272 ( 3.5A)
ZN  A 273 (-3.4A)
ZN  A 271 (-3.2A)
 0.98A 1e9yB-1ak0A:
undetectable		 1e9yB-1ak0A:
19.09
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.
1aso ASCORBATE OXIDASE

(Cucurbita pepo) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		4 HIS A 506
HIS A 104
HIS A  60
HIS A 450
 CU  A 555 (-3.1A)
CU  A 556 (-3.1A)
CU  A 557 ( 3.1A)
CU  A 555 ( 3.2A)
 0.93A 1e9yB-1asoA:
undetectable		 1e9yB-1asoA:
20.77
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.
1fwx NITROUS OXIDE
REDUCTASE

(Paracoccus
denitrificans) 		PF13473
(Cupredoxin_1) 		4 HIS A 270
HIS A 437
HIS A  79
HIS A 128
 CUZ  A4801 (-3.2A)
CUZ  A4801 (-3.0A)
CUZ  A4801 (-3.2A)
CUZ  A4801 (-3.2A)
 0.88A 1e9yB-1fwxA:
undetectable		 1e9yB-1fwxA:
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.
1gkp HYDANTOINASE

(Thermus sp.) 		PF01979
(Amidohydro_1) 		4 HIS A  59
HIS A 183
HIS A 239
ASP A 315
 ZN  A1461 (-3.4A)
ZN  A1460 (-3.2A)
ZN  A1460 (-3.5A)
ZN  A1461 (-2.7A)
 0.53A 1e9yB-1gkpA:
23.5		 1e9yB-1gkpA:
23.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1gkr NON-ATP DEPENDENT
L-SELECTIVE
HYDANTOINASE

(Paenarthrobacter
aurescens) 		PF01979
(Amidohydro_1) 		4 HIS A  60
HIS A 183
HIS A 239
ASP A 312
 ZN  A1453 ( 3.3A)
ZN  A1452 ( 3.1A)
ZN  A1452 ( 3.4A)
ZN  A1453 ( 2.6A)
 0.43A 1e9yB-1gkrA:
23.2		 1e9yB-1gkrA:
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.
1j6o TATD-RELATED
DEOXYRIBONUCLEASE

(Thermotoga
maritima) 		PF01026
(TatD_DNase) 		4 HIS A   4
HIS A  61
HIS A 126
ASP A 201
 None
 0.71A 1e9yB-1j6oA:
14.6		 1e9yB-1j6oA:
18.37
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.
1k1d D-HYDANTOINASE

(Geobacillus
stearothermophilus) 		PF01979
(Amidohydro_1) 		4 HIS A  58
HIS A 183
HIS A 239
ASP A 315
 ZN  A 502 (-3.5A)
ZN  A 501 (-3.3A)
ZN  A 501 (-3.7A)
ZN  A 502 (-3.0A)
 0.43A 1e9yB-1k1dA:
23.1		 1e9yB-1k1dA:
23.58
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.
1m7j D-AMINOACYLASE

(Alcaligenes
faecalis) 		PF07969
(Amidohydro_3) 		4 HIS A  67
HIS A 220
HIS A 250
ASP A 366
 ZN  A 802 ( 3.2A)
ZN  A 801 ( 3.1A)
ZN  A 801 ( 3.2A)
ACT  A 901 (-2.6A)
 0.63A 1e9yB-1m7jA:
19.4		 1e9yB-1m7jA:
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.
1nfg D-HYDANTOINASE

(Ralstonia
pickettii) 		PF00449
(Urease_alpha)
PF01979
(Amidohydro_1) 		4 HIS A  57
HIS A 181
HIS A 237
ASP A 313
 ZN  A 501 (-3.6A)
ZN  A 502 (-3.4A)
ZN  A 502 (-3.7A)
ZN  A 501 (-2.7A)
 0.39A 1e9yB-1nfgA:
22.9		 1e9yB-1nfgA:
23.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1o12 N-ACETYLGLUCOSAMINE-
6-PHOSPHATE
DEACETYLASE

(Thermotoga
maritima) 		PF01979
(Amidohydro_1) 		5 HIS A  49
HIS A 127
HIS A 176
HIS A 197
ASP A 255
 None
FE  A 401 ( 4.8A)
FE  A 401 (-3.3A)
FE  A 401 (-3.5A)
None
 1.08A 1e9yB-1o12A:
18.7		 1e9yB-1o12A:
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.
1qni NITROUS-OXIDE
REDUCTASE

(Marinobacter
hydrocarbonoclasticus) 		no annotation 4 HIS A 270
HIS A 437
HIS A  79
HIS A 128
 CUZ  A 801 (-3.3A)
CUZ  A 801 (-3.0A)
CUZ  A 801 (-3.3A)
CUZ  A 801 (-3.1A)
 0.89A 1e9yB-1qniA:
undetectable		 1e9yB-1qniA:
22.98
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.
1v10 LACCASE

(Rigidoporus
microporus) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		4 HIS A 451
HIS A 109
HIS A  64
HIS A 401
 CU  A1501 (-2.9A)
CU  A1500 (-3.3A)
CU  A1502 (-3.2A)
CU  A1501 ( 3.2A)
 0.97A 1e9yB-1v10A:
undetectable		 1e9yB-1v10A:
20.95
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.
1yix DEOXYRIBONUCLEASE
YCFH

(Escherichia
coli) 		PF01026
(TatD_DNase) 		4 HIS A   7
HIS A  67
HIS A 130
ASP A 205
 ZN  A 601 (-3.3A)
None
ZN  A 604 (-3.3A)
ZN  A 601 (-2.8A)
 0.79A 1e9yB-1yixA:
15.7		 1e9yB-1yixA:
19.34
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.
1zzm PUTATIVE
DEOXYRIBONUCLEASE
YJJV

(Escherichia
coli) 		PF01026
(TatD_DNase) 		4 HIS A   9
HIS A  66
HIS A 133
ASP A 207
 ZN  A 401 (-3.3A)
P33  A 501 (-4.0A)
ZN  A 402 (-3.1A)
ZN  A 401 (-3.2A)
 0.79A 1e9yB-1zzmA:
14.5		 1e9yB-1zzmA:
17.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2e7y TRNASE Z

(Thermotoga
maritima) 		PF12706
(Lactamase_B_2) 		4 HIS A  53
HIS A 134
HIS A 244
ASP A  52
 ZN  A1301 (-3.3A)
ZN  A1302 (-3.7A)
ZN  A1301 (-3.1A)
ZN  A1301 (-3.2A)
 0.97A 1e9yB-2e7yA:
3.1		 1e9yB-2e7yA:
18.80
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.
2ftw DIHYDROPYRIMIDINE
AMIDOHYDROLASE

(Dictyostelium
discoideum) 		PF01979
(Amidohydro_1) 		4 HIS A  66
HIS A 191
HIS A 247
ASP A 325
 ZN  A 522 (-3.4A)
ZN  A 523 (-3.1A)
ZN  A 523 (-3.6A)
ZN  A 522 (-2.8A)
 0.60A 1e9yB-2ftwA:
21.3		 1e9yB-2ftwA:
23.09
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.
2fvm DIHYDROPYRIMIDINASE

(Lachancea
kluyveri) 		PF01979
(Amidohydro_1) 		4 HIS A  62
HIS A 199
HIS A 255
ASP A 358
 ZN  A 601 (-3.2A)
ZN  A 602 (-3.4A)
ZN  A 602 ( 3.5A)
ZN  A 601 ( 3.1A)
 0.65A 1e9yB-2fvmA:
19.7		 1e9yB-2fvmA:
22.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gzx PUTATIVE TATD
RELATED DNASE

(Staphylococcus
aureus) 		PF01026
(TatD_DNase) 		4 HIS A   6
HIS A  63
HIS A 128
ASP A 204
 NI  A 300 (-3.3A)
None
NI  A 299 (-3.4A)
NI  A 300 ( 2.9A)
 0.68A 1e9yB-2gzxA:
2.6		 1e9yB-2gzxA:
19.58
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.
2huo INOSITOL OXYGENASE

(Mus musculus) 		PF05153
(MIOX) 		4 HIS A 123
HIS A 194
HIS A 220
ASP A 253
 FE  A 301 ( 3.2A)
FE  A 302 ( 3.2A)
FE  A 302 (-3.2A)
FE  A 301 ( 2.5A)
 0.97A 1e9yB-2huoA:
undetectable		 1e9yB-2huoA:
16.26
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.
2i7t CLEAVAGE AND
POLYADENYLATION
SPECIFICITY FACTOR
73 KDA SUBUNIT

(Homo sapiens) 		PF00753
(Lactamase_B)
PF07521
(RMMBL)
PF10996
(Beta-Casp) 		5 HIS A  76
HIS A 158
HIS A 396
HIS A 418
ASP A  75
 ZN  A 481 (-3.4A)
ZN  A 482 ( 3.3A)
SO4  A 491 (-4.0A)
ZN  A 481 ( 3.4A)
ZN  A 481 ( 2.6A)
 1.20A 1e9yB-2i7tA:
undetectable		 1e9yB-2i7tA:
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.
2ogi HYPOTHETICAL PROTEIN
SAG1661

(Streptococcus
agalactiae) 		PF01966
(HD) 		4 HIS A  58
HIS A  91
HIS A 117
ASP A 135
 FE  A 301 (-3.5A)
FE  A 302 ( 3.4A)
FE  A 302 ( 3.3A)
FE  A 301 ( 2.5A)
 0.95A 1e9yB-2ogiA:
undetectable		 1e9yB-2ogiA:
16.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ogj DIHYDROOROTASE

(Agrobacterium
fabrum) 		PF01979
(Amidohydro_1) 		4 HIS A  77
HIS A 208
HIS A 231
ASP A 291
 KCX  A 175 (-3.3A)
ZN  A 419 (-3.4A)
ZN  A 419 (-3.6A)
ZN  A 418 (-2.5A)
 0.85A 1e9yB-2ogjA:
18.4		 1e9yB-2ogjA:
22.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qt6 LACCASE

(Lentinus
tigrinus) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		4 HIS A 451
HIS A 109
HIS A  64
HIS A 399
 CU  A 501 (-3.2A)
CU  A 502 (-3.2A)
CU  A 500 (-3.1A)
CU  A 501 ( 3.2A)
 0.97A 1e9yB-2qt6A:
undetectable		 1e9yB-2qt6A:
21.29
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.
2vhl N-ACETYLGLUCOSAMINE-
6-PHOSPHATE
DEACETYLASE

(Bacillus
subtilis) 		PF01979
(Amidohydro_1) 		4 HIS A  63
HIS A 202
HIS A 223
ASP A 281
 FE  A1397 (-3.3A)
FE  A1398 ( 3.3A)
FE  A1398 (-3.3A)
FE  A1397 ( 2.7A)
 0.66A 1e9yB-2vhlA:
19.1		 1e9yB-2vhlA:
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.
2vr2 DIHYDROPYRIMIDINASE

(Homo sapiens) 		PF01979
(Amidohydro_1) 		4 HIS A  67
HIS A 192
HIS A 248
ASP A 326
 ZN  A1494 (-3.3A)
ZN  A1495 (-3.7A)
ZN  A1495 (-3.4A)
ZN  A1494 (-2.7A)
 0.74A 1e9yB-2vr2A:
21.6		 1e9yB-2vr2A:
24.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vun ENAMIDASE

(Eubacterium
barkeri) 		PF01979
(Amidohydro_1) 		4 HIS A  67
HIS A 193
HIS A 220
ASP A 276
 ZN  A 401 (-3.3A)
FE  A 402 (-2.9A)
FE  A 402 (-3.1A)
ZN  A 401 (-2.9A)
 0.49A 1e9yB-2vunA:
20.9		 1e9yB-2vunA:
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.
2w9m POLYMERASE X

(Deinococcus
radiodurans) 		PF14520
(HHH_5)
PF14716
(HHH_8) 		4 HIS A 332
HIS A 428
HIS A 456
ASP A 516
 ZN  A1566 (-3.4A)
ZN  A1567 (-3.4A)
ZN  A1567 (-3.6A)
ZN  A1566 (-2.5A)
 0.90A 1e9yB-2w9mA:
7.4		 1e9yB-2w9mA:
24.13
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.
2wjf TYROSINE-PROTEIN
PHOSPHATASE CPSB

(Streptococcus
pneumoniae) 		no annotation 4 HIS A   5
HIS A  42
HIS A 136
ASP A 199
 MN  A1246 (-3.4A)
MN  A1247 ( 3.3A)
MN  A1245 ( 3.5A)
MN  A1246 ( 2.8A)
 0.96A 1e9yB-2wjfA:
14.0		 1e9yB-2wjfA:
19.11
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.
2xr1 CLEAVAGE AND
POLYADENYLATION
SPECIFICITY FACTOR
100 KD SUBUNIT

(Methanosarcina
mazei) 		PF07521
(RMMBL)
PF07650
(KH_2)
PF10996
(Beta-Casp)
PF16661
(Lactamase_B_6)
PF17214
(KH_7) 		5 HIS A 247
HIS A 329
HIS A 580
HIS A 604
ASP A 246
 ZN  A1639 (-3.3A)
ZN  A1638 (-3.5A)
None
ZN  A1639 (-3.3A)
ZN  A1639 (-2.7A)
 1.20A 1e9yB-2xr1A:
undetectable		 1e9yB-2xr1A:
20.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2y1h PUTATIVE
DEOXYRIBONUCLEASE
TATDN3

(Homo sapiens) 		PF01026
(TatD_DNase) 		4 HIS A  12
HIS A  70
HIS A 147
ASP A 218
 ZN  A1274 ( 3.2A)
PO4  A1275 (-3.8A)
ZN  A1273 ( 3.1A)
PO4  A1275 ( 2.7A)
 0.65A 1e9yB-2y1hA:
14.3		 1e9yB-2y1hA:
18.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yb4 AMIDOHYDROLASE

(Chromobacterium
violaceum) 		PF02811
(PHP) 		4 HIS A   7
HIS A  75
HIS A 191
ASP A 248
 None
 0.94A 1e9yB-2yb4A:
2.8		 1e9yB-2yb4A:
18.31
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.
2ycb CLEAVAGE AND
POLYADENYLATION
SPECIFICITY FACTOR

(Methanothermobacter
thermautotrophicus) 		PF07521
(RMMBL)
PF10996
(Beta-Casp)
PF16661
(Lactamase_B_6)
PF17214
(KH_7) 		5 HIS A 247
HIS A 329
HIS A 579
HIS A 603
ASP A 246
 ZN  A1637 ( 3.2A)
ZN  A1638 ( 3.3A)
PO4  A1639 (-3.9A)
ZN  A1637 ( 3.2A)
PO4  A1639 ( 3.8A)
 1.37A 1e9yB-2ycbA:
2.9		 1e9yB-2ycbA:
23.03
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.
2z00 DIHYDROOROTASE

(Thermus
thermophilus) 		PF01979
(Amidohydro_1) 		4 HIS A  55
HIS A 174
HIS A 233
ASP A 306
 ZN  A1004 (-3.2A)
ZN  A1006 (-3.2A)
ZN  A1006 (-3.4A)
ZN  A1004 (-2.9A)
 0.59A 1e9yB-2z00A:
21.0		 1e9yB-2z00A:
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.
2z2b DIHYDROOROTASE

(Escherichia
coli) 		PF01979
(Amidohydro_1) 		4 HIS A  16
HIS A 129
HIS A 167
ASP A 240
 ZN  A 338 (-3.4A)
ZN  A1337 (-3.1A)
ZN  A1337 (-3.2A)
ZN  A 338 (-2.7A)
 0.57A 1e9yB-2z2bA:
18.3		 1e9yB-2z2bA:
21.22
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.
3abg BILIRUBIN OXIDASE

(Albifimbria
verrucaria) 		PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		4 HIS A 134
HIS A 456
HIS A 401
HIS A  96
 CU  A 702 (-3.1A)
CU  A 701 (-3.3A)
CU  A 703 (-3.4A)
CU  A 702 ( 3.2A)
 0.98A 1e9yB-3abgA:
undetectable		 1e9yB-3abgA:
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.
3abg BILIRUBIN OXIDASE

(Albifimbria
verrucaria) 		PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		4 HIS A 456
HIS A 134
HIS A  94
HIS A 403
 CU  A 701 (-3.3A)
CU  A 702 (-3.1A)
CU  A 703 (-3.0A)
CU  A 701 ( 3.1A)
 0.91A 1e9yB-3abgA:
undetectable		 1e9yB-3abgA:
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.
3be7 ZN-DEPENDENT
ARGININE
CARBOXYPEPTIDASE

(unidentified) 		PF01979
(Amidohydro_1) 		5 HIS A  62
HIS A 142
HIS A 223
HIS A 243
ASP A 315
 None
 1.24A 1e9yB-3be7A:
19.5		 1e9yB-3be7A:
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.
3cjp PREDICTED
AMIDOHYDROLASE,
DIHYDROOROTASE
FAMILY

(Clostridium
acetobutylicum) 		PF04909
(Amidohydro_2) 		4 HIS A   8
HIS A 150
HIS A 179
ASP A 227
 ZN  A 302 (-3.3A)
ZN  A 301 (-3.1A)
ZN  A 301 (-3.2A)
ZN  A 302 (-2.5A)
 0.89A 1e9yB-3cjpA:
15.5		 1e9yB-3cjpA:
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.
3d6n DIHYDROOROTASE

(Aquifex
aeolicus) 		PF01979
(Amidohydro_1) 		4 HIS A  61
HIS A 180
HIS A 232
ASP A 305
 ZN  A 423 (-3.5A)
FLC  A 424 (-4.0A)
FLC  A 424 (-4.8A)
FLC  A 424 ( 2.7A)
 0.52A 1e9yB-3d6nA:
22.0		 1e9yB-3d6nA:
22.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dc8 DIHYDROPYRIMIDINASE

(Sinorhizobium
meliloti) 		PF01979
(Amidohydro_1) 		4 HIS A  56
HIS A 180
HIS A 236
ASP A 313
 ZN  A 502 (-3.3A)
ZN  A 501 (-3.1A)
ZN  A 501 (-3.4A)
ZN  A 502 (-2.7A)
 0.45A 1e9yB-3dc8A:
21.2		 1e9yB-3dc8A:
22.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3e0f PUTATIVE
METAL-DEPENDENT
PHOSPHOESTERASE

(Bifidobacterium
adolescentis) 		PF02811
(PHP) 		4 HIS A  17
HIS A  85
HIS A 202
ASP A 260
 FE  A 303 (-3.3A)
FE  A 302 ( 3.2A)
FE  A 302 (-3.6A)
FE  A 303 ( 2.6A)
 0.63A 1e9yB-3e0fA:
3.3		 1e9yB-3e0fA:
19.89
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.
3e38 TWO-DOMAIN PROTEIN
CONTAINING PREDICTED
PHP-LIKE
METAL-DEPENDENT
PHOSPHOESTERASE

(Bacteroides
vulgatus) 		PF16392
(DUF5001) 		4 HIS A  44
HIS A 122
HIS A 157
ASP A 214
 ZN  A   2 (-3.4A)
ZN  A   1 ( 3.3A)
ZN  A   1 ( 3.4A)
ZN  A   2 ( 2.6A)
 0.65A 1e9yB-3e38A:
4.0		 1e9yB-3e38A:
21.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3e74 ALLANTOINASE

(Escherichia
coli) 		PF01979
(Amidohydro_1) 		4 HIS A  59
HIS A 186
HIS A 242
ASP A 315
 FE  A 454 (-3.5A)
FE  A 455 (-3.2A)
FE  A 455 (-3.6A)
FE  A 454 (-2.8A)
 0.47A 1e9yB-3e74A:
23.2		 1e9yB-3e74A:
24.42
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.
3egj N-ACETYLGLUCOSAMINE-
6-PHOSPHATE
DEACETYLASE

(Vibrio cholerae) 		PF01979
(Amidohydro_1) 		4 HIS A 140
HIS A 192
HIS A 213
ASP A 270
 NI  A 401 (-4.4A)
NI  A 401 (-3.4A)
NI  A 401 (-3.7A)
NI  A 401 ( 4.8A)
 0.94A 1e9yB-3egjA:
19.5		 1e9yB-3egjA:
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.
3gg7 UNCHARACTERIZED
METALLOPROTEIN

(Deinococcus
radiodurans) 		PF01026
(TatD_DNase) 		4 HIS A   5
HIS A  58
HIS A 122
ASP A 194
 MN  A 253 (-3.3A)
MRD  A 257 (-3.5A)
None
MN  A 253 (-2.7A)
 0.73A 1e9yB-3gg7A:
12.3		 1e9yB-3gg7A:
18.36
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.
3gip N-ACYL-D-GLUTAMATE
DEACYLASE

(Bordetella
bronchiseptica) 		PF07969
(Amidohydro_3) 		4 HIS A  66
HIS A 218
HIS A 248
ASP A 365
 ACY  A 481 ( 4.9A)
ZN  A 484 ( 3.0A)
ZN  A 484 (-3.3A)
ACY  A 481 ( 2.5A)
 0.57A 1e9yB-3gipA:
19.3		 1e9yB-3gipA:
22.90
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.
3gri DIHYDROOROTASE

(Staphylococcus
aureus) 		PF01979
(Amidohydro_1) 		4 HIS A  58
HIS A 177
HIS A 230
ASP A 303
 ZN  A 500 (-3.3A)
None
ZN  A 500 ( 4.8A)
ZN  A 500 (-2.7A)
 0.58A 1e9yB-3griA:
20.6		 1e9yB-3griA:
21.67
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.
3guw UNCHARACTERIZED
PROTEIN AF_1765

(Archaeoglobus
fulgidus) 		PF01026
(TatD_DNase) 		4 HIS A   6
HIS A  73
HIS A 129
ASP A 207
 ZN  A 301 (-3.0A)
None
ZN  A 302 (-3.2A)
ZN  A 301 (-2.9A)
 0.75A 1e9yB-3guwA:
14.6		 1e9yB-3guwA:
19.30
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.
3hm7 ALLANTOINASE

(Bacillus
halodurans) 		PF01979
(Amidohydro_1) 		4 HIS A  63
HIS A 186
HIS A 242
ASP A 315
 ZN  A 447 (-3.5A)
None
ZN  A 447 ( 4.9A)
ZN  A 447 (-2.8A)
 0.74A 1e9yB-3hm7A:
22.4		 1e9yB-3hm7A:
23.42
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.
3hq0 CATECHOL
2,3-DIOXYGENASE

(Pseudomonas
alkylphenolica) 		PF00903
(Glyoxalase) 		4 HIS A 201
HIS A 154
HIS A 216
ASP A 294
 None
FE  A 310 (-3.3A)
FE  A 310 (-3.6A)
None
 0.89A 1e9yB-3hq0A:
undetectable		 1e9yB-3hq0A:
20.63
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.
3igh UNCHARACTERIZED
METAL-DEPENDENT
HYDROLASE

(Pyrococcus
horikoshii) 		PF07969
(Amidohydro_3) 		4 HIS X  83
HIS X 330
HIS X 355
ASP X 416
 SO4  X   1 (-4.2A)
SO4  X   1 (-3.9A)
SO4  X   1 (-4.0A)
SO4  X   1 (-3.0A)
 0.93A 1e9yB-3ighX:
16.3		 1e9yB-3ighX:
21.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3jze DIHYDROOROTASE

(Salmonella
enterica) 		PF01979
(Amidohydro_1) 		4 HIS A  17
HIS A 140
HIS A 178
ASP A 251
 ZN  A 401 (-3.3A)
ZN  A 402 (-3.2A)
ZN  A 402 (-3.3A)
ZN  A 401 (-2.7A)
 0.61A 1e9yB-3jzeA:
18.1		 1e9yB-3jzeA:
21.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kl7 PUTATIVE
METAL-DEPENDENT
HYDROLASE

(Parabacteroides
distasonis) 		PF13483
(Lactamase_B_3) 		4 HIS A  84
HIS A 146
HIS A 215
ASP A  83
 ZN  A 303 (-3.4A)
ZN  A 302 (-3.3A)
ZN  A 303 (-3.3A)
ZN  A 303 (-2.7A)
 0.98A 1e9yB-3kl7A:
undetectable		 1e9yB-3kl7A:
19.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3la4 UREASE

(Canavalia
ensiformis) 		PF00449
(Urease_alpha)
PF00547
(Urease_gamma)
PF00699
(Urease_beta)
PF01979
(Amidohydro_1) 		5 HIS A 407
HIS A 492
HIS A 519
HIS A 545
ASP A 633
 NI  A 841 ( 3.3A)
PO4  A 843 (-4.0A)
NI  A 842 (-3.2A)
NI  A 842 ( 3.4A)
PO4  A 843 ( 2.5A)
 0.29A 1e9yB-3la4A:
58.2		 1e9yB-3la4A:
40.36
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.
3mpg DIHYDROOROTASE

(Bacillus
anthracis) 		PF01979
(Amidohydro_1) 		4 HIS A  59
HIS A 178
HIS A 231
ASP A 304
 ZN  A 429 (-3.4A)
ZN  A 430 (-3.3A)
ZN  A 430 (-3.6A)
ZN  A 429 (-2.9A)
 0.59A 1e9yB-3mpgA:
20.4		 1e9yB-3mpgA:
21.37
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.
3mtw L-ARGININE
CARBOXYPEPTIDASE
CC2672

(Caulobacter
vibrioides) 		PF01979
(Amidohydro_1) 		4 HIS A  90
HIS A 252
HIS A 272
ASP A 344
 ZN  A   1 ( 3.2A)
ZN  A   2 ( 3.2A)
ZN  A   2 ( 3.3A)
M3R  A 430 ( 2.4A)
 0.78A 1e9yB-3mtwA:
19.3		 1e9yB-3mtwA:
24.30
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.
3orw PHOSPHOTRIESTERASE

(Geobacillus
kaustophilus) 		PF02126
(PTE) 		4 HIS A  23
HIS A 178
HIS A 206
ASP A 266
 CO  A 327 (-3.3A)
CO  A 328 (-3.3A)
CO  A 328 (-3.4A)
CO  A 327 (-2.6A)
 0.81A 1e9yB-3orwA:
13.0		 1e9yB-3orwA:
20.98
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.
3ovg AMIDOHYDROLASE

(Mycoplasma
synoviae) 		PF02126
(PTE) 		5 HIS A  24
HIS A 100
HIS A 186
HIS A 214
ASP A 272
 ZN  A 362 (-3.6A)
KCX  A 153 ( 4.1A)
ZN  A 363 (-3.5A)
ZN  A 363 (-3.5A)
ZN  A 362 (-2.7A)
 0.90A 1e9yB-3ovgA:
13.9		 1e9yB-3ovgA:
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.
3pnu DIHYDROOROTASE

(Campylobacter
jejuni) 		PF04909
(Amidohydro_2) 		4 HIS A  10
HIS A 131
HIS A 165
ASP A 237
 ZN  A 337 (-3.3A)
ZN  A 336 (-3.1A)
ZN  A 336 (-3.2A)
ZN  A 337 (-2.9A)
 0.60A 1e9yB-3pnuA:
16.4		 1e9yB-3pnuA:
20.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pnz PHOSPHOTRIESTERASE
FAMILY PROTEIN

(Listeria
monocytogenes) 		PF02126
(PTE) 		4 HIS A  22
HIS A 187
HIS A 215
ASP A 272
 ZN  A 333 ( 3.3A)
ZN  A 334 ( 3.2A)
ZN  A 334 ( 3.4A)
ZN  A 333 ( 2.8A)
 0.83A 1e9yB-3pnzA:
14.1		 1e9yB-3pnzA:
20.45
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.
3py6 BETA-LACTAMASE-LIKE

(Brucella
abortus) 		PF12706
(Lactamase_B_2) 		4 HIS A  86
HIS A 219
HIS A 241
HIS A  91
 MN  A 301 (-3.4A)
5GP  A 303 (-4.1A)
MN  A 300 ( 3.4A)
MN  A 300 (-3.4A)
 0.92A 1e9yB-3py6A:
undetectable		 1e9yB-3py6A:
21.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3qgk UREASE SUBUNIT BETA
2

(Helicobacter
mustelae) 		PF00449
(Urease_alpha)
PF01979
(Amidohydro_1) 		5 HIS C 135
HIS C 220
HIS C 247
HIS C 273
ASP C 361
 FE  C 775 (-3.5A)
KCX  C 218 (-4.2A)
FE  C 774 (-3.4A)
FE  C 774 (-3.3A)
FE  C 775 (-2.5A)
 0.37A 1e9yB-3qgkC:
60.6		 1e9yB-3qgkC:
74.87
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.
3qy7 TYROSINE-PROTEIN
PHOSPHATASE YWQE

(Bacillus
subtilis) 		no annotation 4 HIS A   5
HIS A  42
HIS A 136
ASP A 194
 FE  A 264 (-3.3A)
PO4  A 266 ( 3.3A)
FE  A 263 (-3.4A)
FE  A 264 ( 2.6A)
 0.91A 1e9yB-3qy7A:
13.3		 1e9yB-3qy7A:
17.27
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.
3r2u METALLO-BETA-LACTAMA
SE FAMILY PROTEIN

(Staphylococcus
aureus) 		PF00753
(Lactamase_B) 		4 HIS A 119
HIS A 195
HIS A  56
ASP A 156
 FE  A 443 (-3.4A)
None
FE  A 443 (-3.6A)
FE  A 443 ( 4.4A)
 0.92A 1e9yB-3r2uA:
undetectable		 1e9yB-3r2uA:
21.06
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.
3rhg PUTATIVE
PHOPHOTRIESTERASE

(Proteus
mirabilis) 		PF02126
(PTE) 		4 HIS A  23
HIS A 199
HIS A 229
ASP A 294
 ZN  A 367 ( 3.2A)
ZN  A 368 (-3.1A)
ZN  A 368 (-3.2A)
CAC  A 370 (-2.4A)
 0.82A 1e9yB-3rhgA:
15.0		 1e9yB-3rhgA:
20.45
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.
3sfw DIHYDROPYRIMIDINASE

(Brevibacillus
agri) 		PF01979
(Amidohydro_1) 		4 HIS A  58
HIS A 183
HIS A 239
ASP A 315
 ZN  A 502 (-3.3A)
ZN  A 501 (-3.3A)
ZN  A 501 (-3.4A)
ZN  A 502 (-2.7A)
 0.47A 1e9yB-3sfwA:
23.5		 1e9yB-3sfwA:
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.
3t3o METAL DEPENDENT
HYDROLASE

(Thermus
thermophilus) 		PF07521
(RMMBL)
PF12706
(Lactamase_B_2) 		5 HIS A 376
HIS A  75
HIS A  80
HIS A 398
ASP A 204
 None
ZN  A 600 (-4.8A)
ZN  A 600 (-3.6A)
ZN  A 600 (-3.6A)
None
 1.34A 1e9yB-3t3oA:
2.3		 1e9yB-3t3oA:
21.77
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.
3tmc UNCHARACTERIZED
PROTEIN

(Bdellovibrio
bacteriovorus) 		PF13487
(HD_5) 		4 HIS A 183
HIS A 187
HIS A 212
HIS A 237
 FE  A 310 (-3.4A)
PO4  A 311 (-3.9A)
FE  A 309 ( 3.4A)
FE  A 309 (-3.4A)
 0.91A 1e9yB-3tmcA:
undetectable		 1e9yB-3tmcA:
19.19
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.
3zq4 RIBONUCLEASE J 1

(Bacillus
subtilis) 		PF00753
(Lactamase_B)
PF07521
(RMMBL) 		5 HIS A 368
HIS A  74
HIS A  79
HIS A 390
ASP A 195
 None
ZN  A1557 (-3.0A)
ZN  A1556 (-3.2A)
ZN  A1556 (-3.4A)
None
 1.49A 1e9yB-3zq4A:
2.4		 1e9yB-3zq4A:
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.
3zwf ZINC
PHOSPHODIESTERASE
ELAC PROTEIN 1

(Homo sapiens) 		PF00753
(Lactamase_B)
PF12706
(Lactamase_B_2) 		4 HIS A  67
HIS A 182
HIS A 313
ASP A  66
 ZN  A1363 (-3.4A)
ZN  A1364 ( 3.5A)
ZN  A1363 ( 3.4A)
ZN  A1363 ( 2.6A)
 0.90A 1e9yB-3zwfA:
undetectable		 1e9yB-3zwfA:
20.70
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.
4c60 OCHRATOXINASE

(Aspergillus
niger) 		PF01979
(Amidohydro_1) 		4 HIS A 111
HIS A 287
HIS A 307
ASP A 378
 None
 0.71A 1e9yB-4c60A:
17.2		 1e9yB-4c60A:
22.58
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.
4c6o CAD PROTEIN

(Homo sapiens) 		PF01979
(Amidohydro_1) 		4 HIS A1471
HIS A1590
HIS A1614
ASP A1686
 ZN  A2822 ( 3.2A)
ZN  A2823 (-3.0A)
ZN  A2823 (-3.2A)
ZN  A2822 (-2.6A)
 0.59A 1e9yB-4c6oA:
18.9		 1e9yB-4c6oA:
20.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4cxo ENDONUCLEASE 2

(Arabidopsis
thaliana) 		PF02265
(S1-P1_nuclease) 		4 HIS A 120
HIS A 130
HIS A   6
ASP A  45
 ZN  A 451 ( 3.4A)
ZN  A 452 (-3.3A)
ZN  A 453 ( 3.2A)
SO4  A 461 ( 2.7A)
 0.97A 1e9yB-4cxoA:
undetectable		 1e9yB-4cxoA:
18.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4g7e UREASE

(Cajanus cajan) 		PF00449
(Urease_alpha)
PF00547
(Urease_gamma)
PF00699
(Urease_beta)
PF01979
(Amidohydro_1) 		5 HIS B 407
HIS B 492
HIS B 519
HIS B 545
ASP B 633
 NI  B 901 (-3.3A)
KCX  B 490 ( 4.1A)
NI  B 902 (-3.2A)
NI  B 902 (-3.3A)
NI  B 901 (-2.6A)
 0.36A 1e9yB-4g7eB:
63.0		 1e9yB-4g7eB:
40.83
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.
4gz7 DIHYDROPYRIMIDINASE

(Tetraodon
nigroviridis) 		PF01979
(Amidohydro_1) 		4 HIS A  63
HIS A 188
HIS A 244
ASP A 322
 None
None
MHA  A 601 (-3.8A)
MHA  A 601 (-2.0A)
 0.68A 1e9yB-4gz7A:
21.1		 1e9yB-4gz7A:
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.
4kqn D-HYDANTOINASE

(Bacillus sp.
AR9) 		PF01979
(Amidohydro_1) 		4 HIS A  58
HIS A 183
HIS A 239
ASP A 315
 HIS  A  58 (-1.0A)
HIS  A 183 (-1.0A)
HIS  A 239 (-1.0A)
ASP  A 315 (-0.6A)
 0.43A 1e9yB-4kqnA:
23.2		 1e9yB-4kqnA:
22.62
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.
4lfy DIHYDROOROTASE

(Burkholderia
cenocepacia) 		PF01979
(Amidohydro_1) 		4 HIS A  31
HIS A 154
HIS A 192
ASP A 268
 ZN  A 401 (-3.3A)
ZN  A 402 (-3.2A)
ZN  A 402 (-3.2A)
ZN  A 401 (-2.7A)
 0.59A 1e9yB-4lfyA:
17.8		 1e9yB-4lfyA:
21.68
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.
4mln PREDICTED HD
PHOSPHOHYDROLASE
PHNZ

(uncultured
bacterium
HF130_AEPn_1) 		PF01966
(HD) 		5 HIS A  58
HIS A  62
HIS A  80
HIS A 104
ASP A 161
 FE  A 201 (-3.2A)
ODV  A 203 (-4.1A)
FE  A 202 ( 3.4A)
FE  A 202 ( 3.3A)
FE  A 201 (-2.4A)
 0.85A 1e9yB-4mlnA:
undetectable		 1e9yB-4mlnA:
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.
4n6w PREDICTED HD
PHOSPHOHYDROLASE
PHNZ

(uncultured
bacterium
HF130_AEPn_1) 		PF01966
(HD) 		5 HIS A  58
HIS A  62
HIS A  80
HIS A 104
ASP A 161
 FE  A 202 (-3.3A)
FLC  A 203 (-4.0A)
FE  A 201 ( 3.4A)
FE  A 201 ( 3.4A)
FE  A 202 ( 2.5A)
 0.89A 1e9yB-4n6wA:
undetectable		 1e9yB-4n6wA:
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.
4q2c CRISPR-ASSOCIATED
HELICASE CAS3

(Thermobaculum
terrenum) 		PF00271
(Helicase_C) 		4 HIS A  98
HIS A 138
HIS A 171
ASP A 237
 NI  A1001 (-3.4A)
NI  A1002 (-3.3A)
NI  A1002 (-3.3A)
NI  A1001 ( 2.7A)
 0.95A 1e9yB-4q2cA:
undetectable		 1e9yB-4q2cA:
19.77
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.
4rdy PARATHION HYDROLASE

(Vulcanisaeta
moutnovskia) 		PF02126
(PTE) 		4 HIS A  23
HIS A 171
HIS A 200
ASP A 257
 CO  A 401 (-3.3A)
CO  A 402 ( 3.1A)
CO  A 402 (-3.3A)
CO  A 401 ( 2.5A)
 0.80A 1e9yB-4rdyA:
13.6		 1e9yB-4rdyA:
21.19
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.
4tqt D-HYDANTOINASE

(Brucella suis) 		PF01979
(Amidohydro_1) 		4 HIS A  61
HIS A 184
HIS A 240
ASP A 317
 ZN  A 501 (-3.4A)
ZN  A 502 (-3.3A)
ZN  A 502 (-3.5A)
ZN  A 501 (-2.8A)
 0.41A 1e9yB-4tqtA:
21.7		 1e9yB-4tqtA:
23.62
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.
4xwt DR2417

(Deinococcus
radiodurans) 		PF00753
(Lactamase_B)
PF07521
(RMMBL) 		5 HIS A 381
HIS A  84
HIS A  89
HIS A 403
ASP A 209
 U5P  A 606 (-3.9A)
ZN  A 601 (-3.5A)
ZN  A 602 (-3.3A)
ZN  A 602 (-3.2A)
None
 1.38A 1e9yB-4xwtA:
2.9		 1e9yB-4xwtA:
23.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ymk ACYL-COA DESATURASE
1

(Mus musculus) 		PF00487
(FA_desaturase) 		4 HIS A 265
HIS A 153
HIS A 157
HIS A 298
 ZN  A 402 (-3.4A)
ZN  A 401 ( 3.2A)
ZN  A 401 (-3.3A)
ZN  A 402 (-3.4A)
 0.97A 1e9yB-4ymkA:
undetectable		 1e9yB-4ymkA:
21.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4z42 UREASE SUBUNIT ALPHA

(Yersinia
enterocolitica) 		PF00449
(Urease_alpha)
PF01979
(Amidohydro_1) 		5 HIS C 139
HIS C 224
HIS C 251
HIS C 277
ASP C 365
 NI  C 602 ( 3.0A)
NI  C 601 (-4.7A)
NI  C 601 (-3.3A)
NI  C 601 (-4.6A)
NI  C 602 ( 1.9A)
 0.65A 1e9yB-4z42C:
57.4		 1e9yB-4z42C:
57.17
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.
4zr0 CERAMIDE VERY LONG
CHAIN FATTY ACID
HYDROXYLASE SCS7

(Saccharomyces
cerevisiae) 		PF04116
(FA_hydroxylase) 		4 HIS A 249
HIS A 345
HIS A 349
HIS A 272
 ZN  A 402 (-3.2A)
ZN  A 401 (-3.5A)
ZN  A 401 (-3.2A)
ZN  A 402 (-3.4A)
 0.91A 1e9yB-4zr0A:
undetectable		 1e9yB-4zr0A:
21.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zr1 CERAMIDE VERY LONG
CHAIN FATTY ACID
HYDROXYLASE SCS7

(Saccharomyces
cerevisiae) 		PF04116
(FA_hydroxylase) 		4 HIS A 249
HIS A 345
HIS A 349
HIS A 272
 ZN  A 402 (-3.2A)
ZN  A 401 (-3.4A)
ZN  A 401 (-3.2A)
ZN  A 402 (-3.5A)
 0.96A 1e9yB-4zr1A:
undetectable		 1e9yB-4zr1A:
19.41
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.
5a0t RIBONUCLEASE J

(Streptomyces
coelicolor) 		PF00753
(Lactamase_B)
PF07521
(RMMBL) 		5 HIS A 377
HIS A  84
HIS A  89
HIS A 399
ASP A 205
 G  E   1 ( 3.9A)
ZN  A1458 (-3.6A)
ZN  A1457 (-3.5A)
ZN  A1457 (-3.5A)
None
 1.44A 1e9yB-5a0tA:
undetectable		 1e9yB-5a0tA:
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.
5ao0 DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1

(Homo sapiens) 		PF01966
(HD) 		4 HIS A 206
HIS A 210
HIS A 233
ASP A 311
 FE  A1001 ( 3.2A)
DG3  A2001 (-4.6A)
DG3  A2001 (-3.4A)
FE  A1001 ( 2.6A)
 0.96A 1e9yB-5ao0A:
undetectable		 1e9yB-5ao0A:
21.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5fse UREASE SUBUNIT ALPHA

(Sporosarcina
pasteurii) 		PF00449
(Urease_alpha)
PF01979
(Amidohydro_1) 		5 HIS C 137
HIS C 222
HIS C 249
HIS C 275
ASP C 363
 NI  C 601 ( 3.2A)
KCX  C 220 ( 4.1A)
NI  C 600 ( 3.2A)
NI  C 600 ( 3.3A)
NI  C 601 ( 2.6A)
 0.40A 1e9yB-5fseC:
64.9		 1e9yB-5fseC:
61.12
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.
5mtz RIBONUCLEASE Z

(Saccharomyces
cerevisiae) 		PF13691
(Lactamase_B_4) 		4 HIS A 545
HIS A 670
HIS A 759
ASP A 544
 ZN  A 902 (-3.4A)
ZN  A 901 ( 3.5A)
ZN  A 902 ( 3.2A)
ZN  A 902 ( 2.6A)
 0.94A 1e9yB-5mtzA:
undetectable		 1e9yB-5mtzA:
20.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vgm DIHYDROOROTASE

(Vibrio cholerae) 		PF01979
(Amidohydro_1) 		4 HIS A  13
HIS A 135
HIS A 173
ASP A 246
 ZN  A 402 (-3.3A)
ZN  A 401 (-3.2A)
ZN  A 401 (-3.3A)
ZN  A 402 (-2.7A)
 0.61A 1e9yB-5vgmA:
18.2		 1e9yB-5vgmA:
21.30
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.
5xgw ISOASPARTYL
DIPEPTIDASE

(Colwellia
psychrerythraea) 		no annotation 4 HIS A  71
HIS A 205
HIS A 234
ASP A 293
 ZN  A 401 (-3.4A)
ZN  A 402 (-3.2A)
ZN  A 402 (-3.3A)
ZN  A 401 (-2.6A)
 0.80A 1e9yB-5xgwA:
21.7		 1e9yB-5xgwA:
9.07
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.
5ykd D-HYDANTOINASE/DIHYD
ROPYRIMIDINASE

(Pseudomonas
aeruginosa) 		no annotation 4 HIS A  59
HIS A 183
HIS A 239
ASP A 316
 ZN  A 502 (-3.4A)
ZN  A 501 (-3.3A)
ZN  A 501 (-3.4A)
ZN  A 502 (-2.9A)
 0.42A 1e9yB-5ykdA:
21.8		 1e9yB-5ykdA:
8.43
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.
5zb8 PFUENDOQ

(Pyrococcus
furiosus) 		no annotation 4 HIS A   8
HIS A  84
HIS A 139
ASP A 193
 ZN  A 502 (-3.3A)
ZN  A 501 (-3.2A)
ZN  A 501 (-3.3A)
ZN  A 502 (-2.5A)
 0.74A 1e9yB-5zb8A:
5.0		 1e9yB-5zb8A:
8.65
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.
6c66 CRISPR-ASSOCIATED
HELICASE, CAS3
FAMILY

(Thermobifida
fusca) 		no annotation 4 HIS G  83
HIS G 115
HIS G 149
ASP G 215
 FE  G1002 ( 3.5A)
FE  G1001 (-4.4A)
FE  G1001 (-3.2A)
FE  G1002 ( 2.7A)
 0.81A 1e9yB-6c66G:
undetectable		 1e9yB-6c66G:
10.00
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.
6cty DIHYDROOROTASE

(Yersinia pestis) 		no annotation 4 HIS A  17
HIS A 140
HIS A 178
ASP A 251
 ZN  A 402 (-3.4A)
ZN  A 401 ( 3.2A)
ZN  A 401 ( 3.4A)
ZN  A 402 ( 2.8A)
 0.63A 1e9yB-6ctyA:
18.2		 1e9yB-6ctyA:
9.66