SIMILAR PATTERNS OF AMINO ACIDS FOR 4UBP_C_HAEC800_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) 		5 HIS C 134
HIS C 136
HIS C 219
HIS C 246
ASP C 360
 None
 0.42A 4ubpC-1a5lC:
69.5		 4ubpC-1a5lC:
64.39
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) 		5 HIS C 134
HIS C 136
HIS C 219
HIS C 246
HIS C 272
 None
 0.89A 4ubpC-1a5lC:
69.5		 4ubpC-1a5lC:
64.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1bf6 PHOSPHOTRIESTERASE
HOMOLOGY PROTEIN

(Escherichia
coli) 		PF02126
(PTE) 		5 HIS A  12
HIS A  14
HIS A 158
HIS A 186
ASP A 243
 ZN  A   1 (-3.5A)
ZN  A   1 (-3.4A)
ZN  A 293 (-3.3A)
ZN  A 293 (-3.3A)
ZN  A   1 (-2.7A)
 0.67A 4ubpC-1bf6A:
13.4		 4ubpC-1bf6A:
20.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1e9y UREASE SUBUNIT BETA

(Helicobacter
pylori) 		PF00449
(Urease_alpha)
PF01979
(Amidohydro_1) 		6 HIS B 136
HIS B 138
HIS B 221
HIS B 248
HIS B 274
ASP B 362
 NI  B3002 (-3.5A)
NI  B3002 (-3.3A)
KCX  B 219 (-4.0A)
NI  B3001 ( 3.4A)
NI  B3001 ( 3.5A)
HAE  B 800 ( 2.5A)
 0.27A 4ubpC-1e9yB:
51.0		 4ubpC-1e9yB:
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.
1eyw PHOSPHOTRIESTERASE

(Brevundimonas
diminuta) 		PF02126
(PTE) 		5 HIS A  55
HIS A  57
HIS A 201
HIS A 230
ASP A 301
 ZN  A 401 (-3.2A)
ZN  A 401 (-3.3A)
ZN  A 402 (-3.1A)
ZN  A 402 (-3.3A)
ZN  A 401 ( 2.6A)
 0.70A 4ubpC-1eywA:
14.6		 4ubpC-1eywA:
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.
1gkp HYDANTOINASE

(Thermus sp.) 		PF01979
(Amidohydro_1) 		5 HIS A  59
HIS A  61
HIS A 183
HIS A 239
ASP A 315
 ZN  A1461 (-3.4A)
ZN  A1461 (-3.4A)
ZN  A1460 (-3.2A)
ZN  A1460 (-3.5A)
ZN  A1461 (-2.7A)
 0.44A 4ubpC-1gkpA:
24.5		 4ubpC-1gkpA:
24.29
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.
1gkr NON-ATP DEPENDENT
L-SELECTIVE
HYDANTOINASE

(Paenarthrobacter
aurescens) 		PF01979
(Amidohydro_1) 		5 HIS A  60
HIS A  62
HIS A 183
HIS A 239
ASP A 312
 ZN  A1453 ( 3.3A)
ZN  A1453 ( 3.3A)
ZN  A1452 ( 3.1A)
ZN  A1452 ( 3.4A)
ZN  A1453 ( 2.6A)
 0.44A 4ubpC-1gkrA:
26.2		 4ubpC-1gkrA:
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.
1j6o TATD-RELATED
DEOXYRIBONUCLEASE

(Thermotoga
maritima) 		PF01026
(TatD_DNase) 		5 HIS A   4
HIS A   6
HIS A  61
HIS A 126
ASP A 201
 None
 0.77A 4ubpC-1j6oA:
14.7		 4ubpC-1j6oA:
18.58
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.
1j6o TATD-RELATED
DEOXYRIBONUCLEASE

(Thermotoga
maritima) 		PF01026
(TatD_DNase) 		5 HIS A   6
HIS A  61
HIS A 126
HIS A 151
ASP A 201
 None
 1.14A 4ubpC-1j6oA:
14.7		 4ubpC-1j6oA:
18.58
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.
1k1d D-HYDANTOINASE

(Geobacillus
stearothermophilus) 		PF01979
(Amidohydro_1) 		5 HIS A  58
HIS A  60
HIS A 183
HIS A 239
ASP A 315
 ZN  A 502 (-3.5A)
ZN  A 502 (-3.5A)
ZN  A 501 (-3.3A)
ZN  A 501 (-3.7A)
ZN  A 502 (-3.0A)
 0.51A 4ubpC-1k1dA:
24.1		 4ubpC-1k1dA:
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.
1m68 HYPOTHETICAL PROTEIN
YCDX

(Escherichia
coli) 		PF02811
(PHP) 		5 HIS A   7
HIS A   9
HIS A 101
HIS A 131
ASP A 192
 ZN  A 302 (-3.2A)
ZN  A 302 (-3.3A)
ZN  A 303 (-3.2A)
ZN  A 303 (-3.4A)
ZN  A 302 (-2.6A)
 1.04A 4ubpC-1m68A:
6.4		 4ubpC-1m68A:
17.28
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.
1m7j D-AMINOACYLASE

(Alcaligenes
faecalis) 		PF07969
(Amidohydro_3) 		5 HIS A  67
HIS A  69
HIS A 220
HIS A 250
ASP A 366
 ZN  A 802 ( 3.2A)
ZN  A 802 ( 3.0A)
ZN  A 801 ( 3.1A)
ZN  A 801 ( 3.2A)
ACT  A 901 (-2.6A)
 0.52A 4ubpC-1m7jA:
19.5		 4ubpC-1m7jA:
22.46
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.
1nfg D-HYDANTOINASE

(Ralstonia
pickettii) 		PF00449
(Urease_alpha)
PF01979
(Amidohydro_1) 		5 HIS A  57
HIS A  59
HIS A 181
HIS A 237
ASP A 313
 ZN  A 501 (-3.6A)
ZN  A 501 (-3.5A)
ZN  A 502 (-3.4A)
ZN  A 502 (-3.7A)
ZN  A 501 (-2.7A)
 0.46A 4ubpC-1nfgA:
23.9		 4ubpC-1nfgA:
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.
1o12 N-ACETYLGLUCOSAMINE-
6-PHOSPHATE
DEACETYLASE

(Thermotoga
maritima) 		PF01979
(Amidohydro_1) 		6 HIS A  49
HIS A  51
HIS A 127
HIS A 176
HIS A 197
ASP A 255
 None
None
FE  A 401 ( 4.8A)
FE  A 401 (-3.3A)
FE  A 401 (-3.5A)
None
 1.03A 4ubpC-1o12A:
18.7		 4ubpC-1o12A:
21.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1poj ISOASPARTYL
DIPEPTIDASE

(Escherichia
coli) 		PF01979
(Amidohydro_1) 		5 HIS A  68
HIS A  70
HIS A 201
HIS A 230
ASP A 285
 ZN  A 601 (-3.6A)
ZN  A 601 ( 3.6A)
ZN  A 602 ( 2.8A)
ZN  A 602 ( 3.5A)
AE1  A 401 ( 2.6A)
 0.78A 4ubpC-1pojA:
21.1		 4ubpC-1pojA:
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.
1yix DEOXYRIBONUCLEASE
YCFH

(Escherichia
coli) 		PF01026
(TatD_DNase) 		5 HIS A   7
HIS A   9
HIS A  67
HIS A 130
ASP A 205
 ZN  A 601 (-3.3A)
ZN  A 601 (-3.2A)
None
ZN  A 604 (-3.3A)
ZN  A 601 (-2.8A)
 0.68A 4ubpC-1yixA:
15.6		 4ubpC-1yixA:
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.
1zzm PUTATIVE
DEOXYRIBONUCLEASE
YJJV

(Escherichia
coli) 		PF01026
(TatD_DNase) 		5 HIS A   9
HIS A  11
HIS A  66
HIS A 133
ASP A 207
 ZN  A 401 (-3.3A)
ZN  A 401 (-3.2A)
P33  A 501 (-4.0A)
ZN  A 402 (-3.1A)
ZN  A 401 (-3.2A)
 0.70A 4ubpC-1zzmA:
14.2		 4ubpC-1zzmA:
17.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ftw DIHYDROPYRIMIDINE
AMIDOHYDROLASE

(Dictyostelium
discoideum) 		PF01979
(Amidohydro_1) 		5 HIS A  66
HIS A  68
HIS A 191
HIS A 247
ASP A 325
 ZN  A 522 (-3.4A)
ZN  A 522 (-3.3A)
ZN  A 523 (-3.1A)
ZN  A 523 (-3.6A)
ZN  A 522 (-2.8A)
 0.60A 4ubpC-2ftwA:
22.1		 4ubpC-2ftwA:
21.66
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.
2fvm DIHYDROPYRIMIDINASE

(Lachancea
kluyveri) 		PF01979
(Amidohydro_1) 		5 HIS A  62
HIS A  64
HIS A 199
HIS A 255
ASP A 358
 ZN  A 601 (-3.2A)
ZN  A 601 ( 3.4A)
ZN  A 602 (-3.4A)
ZN  A 602 ( 3.5A)
ZN  A 601 ( 3.1A)
 0.61A 4ubpC-2fvmA:
20.3		 4ubpC-2fvmA:
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.
2gzx PUTATIVE TATD
RELATED DNASE

(Staphylococcus
aureus) 		PF01026
(TatD_DNase) 		5 HIS A   6
HIS A   8
HIS A  63
HIS A 128
ASP A 204
 NI  A 300 (-3.3A)
NI  A 300 (-3.4A)
None
NI  A 299 (-3.4A)
NI  A 300 ( 2.9A)
 0.64A 4ubpC-2gzxA:
3.0		 4ubpC-2gzxA:
19.12
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.
2gzx PUTATIVE TATD
RELATED DNASE

(Staphylococcus
aureus) 		PF01026
(TatD_DNase) 		5 HIS A   8
HIS A  63
HIS A 128
HIS A 153
ASP A 204
 NI  A 300 (-3.4A)
None
NI  A 299 (-3.4A)
NI  A 299 (-3.5A)
NI  A 300 ( 2.9A)
 1.13A 4ubpC-2gzxA:
3.0		 4ubpC-2gzxA:
19.12
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.
2huo INOSITOL OXYGENASE

(Mus musculus) 		PF05153
(MIOX) 		5 HIS A 123
HIS A  98
HIS A 194
HIS A 220
ASP A 253
 FE  A 301 ( 3.2A)
FE  A 301 (-3.2A)
FE  A 302 ( 3.2A)
FE  A 302 (-3.2A)
FE  A 301 ( 2.5A)
 0.99A 4ubpC-2huoA:
undetectable		 4ubpC-2huoA:
18.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 1.17A 4ubpC-2i7tA:
undetectable		 4ubpC-2i7tA:
22.35
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.
2ibn INOSITOL OXYGENASE

(Homo sapiens) 		PF05153
(MIOX) 		5 HIS A 123
HIS A  98
HIS A 194
HIS A 220
ASP A 253
 FE  A 703 (-3.3A)
FE  A 703 (-3.2A)
FE  A 704 ( 3.5A)
FE  A 704 ( 3.4A)
FE  A 703 (-2.5A)
 1.03A 4ubpC-2ibnA:
undetectable		 4ubpC-2ibnA:
17.35
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.
2ics ADENINE DEAMINASE

(Enterococcus
faecalis) 		PF01979
(Amidohydro_1) 		5 HIS A  60
HIS A  62
HIS A 188
HIS A 211
ASP A 272
 ZN  A 400 (-3.4A)
ZN  A 400 (-3.2A)
ZN  A 401 ( 3.2A)
ZN  A 401 (-3.4A)
ZN  A 400 (-2.8A)
 0.67A 4ubpC-2icsA:
20.4		 4ubpC-2icsA:
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.
2o08 BH1327 PROTEIN

(Bacillus
halodurans) 		PF01966
(HD) 		5 HIS A  50
HIS A  21
HIS A  83
HIS A 109
ASP A 127
 FE  A 400 (-3.3A)
FE  A 400 ( 3.3A)
FE  A 401 ( 3.4A)
FE  A 401 (-3.4A)
FE  A 400 ( 2.7A)
 1.06A 4ubpC-2o08A:
undetectable		 4ubpC-2o08A:
16.08
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.
2ogi HYPOTHETICAL PROTEIN
SAG1661

(Streptococcus
agalactiae) 		PF01966
(HD) 		5 HIS A  58
HIS A  29
HIS A  91
HIS A 117
ASP A 135
 FE  A 301 (-3.5A)
FE  A 301 ( 3.4A)
FE  A 302 ( 3.4A)
FE  A 302 ( 3.3A)
FE  A 301 ( 2.5A)
 0.99A 4ubpC-2ogiA:
undetectable		 4ubpC-2ogiA:
16.49
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.
2ogj DIHYDROOROTASE

(Agrobacterium
fabrum) 		PF01979
(Amidohydro_1) 		5 HIS A  77
HIS A  79
HIS A 208
HIS A 231
ASP A 291
 KCX  A 175 (-3.3A)
ZN  A 418 (-3.4A)
ZN  A 419 (-3.4A)
ZN  A 419 (-3.6A)
ZN  A 418 (-2.5A)
 0.71A 4ubpC-2ogjA:
18.5		 4ubpC-2ogjA:
20.50
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.
2p9b POSSIBLE PROLIDASE

(Bifidobacterium
longum) 		PF01979
(Amidohydro_1) 		5 HIS A  77
HIS A  79
HIS A 246
HIS A 266
ASP A 345
 None
 0.91A 4ubpC-2p9bA:
19.6		 4ubpC-2p9bA:
22.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pq7 PREDICTED HD
SUPERFAMILY
HYDROLASE

(uncultured
Thermotogales
bacterium) 		PF01966
(HD) 		5 HIS A  65
HIS A  36
HIS A  79
HIS A 111
ASP A 131
 FE  A 221 (-3.4A)
FE  A 221 ( 3.3A)
FE  A 220 (-3.4A)
FE  A 220 ( 3.4A)
FE  A 221 (-2.6A)
 1.04A 4ubpC-2pq7A:
undetectable		 4ubpC-2pq7A:
18.29
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.
2qs8 XAA-PRO DIPEPTIDASE

(Alteromonas
macleodii) 		PF01979
(Amidohydro_1) 		5 HIS A  69
HIS A  71
HIS A 235
HIS A 255
ASP A 328
 MG  A 500 (-3.6A)
MG  A 500 (-3.4A)
MET  A 600 (-4.4A)
MET  A 600 ( 4.3A)
MG  A 500 ( 2.8A)
 0.75A 4ubpC-2qs8A:
19.0		 4ubpC-2qs8A:
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.
2vhl N-ACETYLGLUCOSAMINE-
6-PHOSPHATE
DEACETYLASE

(Bacillus
subtilis) 		PF01979
(Amidohydro_1) 		5 HIS A  63
HIS A  65
HIS A 202
HIS A 223
ASP A 281
 FE  A1397 (-3.3A)
FE  A1397 (-3.3A)
FE  A1398 ( 3.3A)
FE  A1398 (-3.3A)
FE  A1397 ( 2.7A)
 0.60A 4ubpC-2vhlA:
19.3		 4ubpC-2vhlA:
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.
2vr2 DIHYDROPYRIMIDINASE

(Homo sapiens) 		PF01979
(Amidohydro_1) 		5 HIS A  67
HIS A  69
HIS A 192
HIS A 248
ASP A 326
 ZN  A1494 (-3.3A)
ZN  A1494 (-3.3A)
ZN  A1495 (-3.7A)
ZN  A1495 (-3.4A)
ZN  A1494 (-2.7A)
 0.67A 4ubpC-2vr2A:
22.6		 4ubpC-2vr2A:
23.80
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.
2vun ENAMIDASE

(Eubacterium
barkeri) 		PF01979
(Amidohydro_1) 		5 HIS A  67
HIS A  69
HIS A 193
HIS A 220
ASP A 276
 ZN  A 401 (-3.3A)
ZN  A 401 (-3.3A)
FE  A 402 (-2.9A)
FE  A 402 (-3.1A)
ZN  A 401 (-2.9A)
 0.51A 4ubpC-2vunA:
21.0		 4ubpC-2vunA:
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.
2w9m POLYMERASE X

(Deinococcus
radiodurans) 		PF14520
(HHH_5)
PF14716
(HHH_8) 		5 HIS A 332
HIS A 334
HIS A 428
HIS A 456
ASP A 516
 ZN  A1566 (-3.4A)
ZN  A1566 (-3.5A)
ZN  A1567 (-3.4A)
ZN  A1567 (-3.6A)
ZN  A1566 (-2.5A)
 0.95A 4ubpC-2w9mA:
5.8		 4ubpC-2w9mA:
22.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2y1h PUTATIVE
DEOXYRIBONUCLEASE
TATDN3

(Homo sapiens) 		PF01026
(TatD_DNase) 		5 HIS A  12
HIS A  14
HIS A  70
HIS A 147
ASP A 218
 ZN  A1274 ( 3.2A)
ZN  A1274 ( 3.3A)
PO4  A1275 (-3.8A)
ZN  A1273 ( 3.1A)
PO4  A1275 ( 2.7A)
 0.54A 4ubpC-2y1hA:
14.5		 4ubpC-2y1hA:
17.71
Potential target for repurposing, i.e. matched protein structure has less than 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) 		5 HIS A  14
HIS A  70
HIS A 147
HIS A 170
ASP A 218
 ZN  A1274 ( 3.3A)
PO4  A1275 (-3.8A)
ZN  A1273 ( 3.1A)
ZN  A1273 (-3.2A)
PO4  A1275 ( 2.7A)
 0.99A 4ubpC-2y1hA:
14.5		 4ubpC-2y1hA:
17.71
Potential target for repurposing, i.e. matched protein structure has less than 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) 		5 HIS A   7
HIS A   9
HIS A  75
HIS A 191
ASP A 248
 None
 0.83A 4ubpC-2yb4A:
2.4		 4ubpC-2yb4A:
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.
2z00 DIHYDROOROTASE

(Thermus
thermophilus) 		PF01979
(Amidohydro_1) 		5 HIS A  55
HIS A  57
HIS A 174
HIS A 233
ASP A 306
 ZN  A1004 (-3.2A)
ZN  A1004 (-3.4A)
ZN  A1006 (-3.2A)
ZN  A1006 (-3.4A)
ZN  A1004 (-2.9A)
 0.51A 4ubpC-2z00A:
22.5		 4ubpC-2z00A:
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.
2z2b DIHYDROOROTASE

(Escherichia
coli) 		PF01979
(Amidohydro_1) 		5 HIS A  16
HIS A  18
HIS A 129
HIS A 167
ASP A 240
 ZN  A 338 (-3.4A)
ZN  A 338 (-3.2A)
ZN  A1337 (-3.1A)
ZN  A1337 (-3.2A)
ZN  A 338 (-2.7A)
 0.43A 4ubpC-2z2bA:
19.3		 4ubpC-2z2bA:
20.17
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.
3be7 ZN-DEPENDENT
ARGININE
CARBOXYPEPTIDASE

(unidentified) 		PF01979
(Amidohydro_1) 		5 HIS A  62
HIS A  64
HIS A 223
HIS A 243
ASP A 315
 None
 0.76A 4ubpC-3be7A:
19.2		 4ubpC-3be7A:
21.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ccg HD SUPERFAMILY
HYDROLASE

(Clostridium
acetobutylicum) 		PF01966
(HD) 		5 HIS A  51
HIS A  22
HIS A  85
HIS A 111
ASP A 129
 FE  A 191 (-3.7A)
FE  A 191 ( 3.5A)
FE  A 190 ( 3.4A)
FE  A 190 (-3.4A)
FE  A 191 ( 2.4A)
 1.08A 4ubpC-3ccgA:
undetectable		 4ubpC-3ccgA:
18.64
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.
3cjp PREDICTED
AMIDOHYDROLASE,
DIHYDROOROTASE
FAMILY

(Clostridium
acetobutylicum) 		PF04909
(Amidohydro_2) 		5 HIS A   8
HIS A  10
HIS A 150
HIS A 179
ASP A 227
 ZN  A 302 (-3.3A)
ZN  A 302 (-3.2A)
ZN  A 301 (-3.1A)
ZN  A 301 (-3.2A)
ZN  A 302 (-2.5A)
 0.75A 4ubpC-3cjpA:
14.9		 4ubpC-3cjpA:
19.02
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.
3d6n DIHYDROOROTASE

(Aquifex
aeolicus) 		PF01979
(Amidohydro_1) 		5 HIS A  61
HIS A  63
HIS A 180
HIS A 232
ASP A 305
 ZN  A 423 (-3.5A)
ZN  A 423 ( 3.4A)
FLC  A 424 (-4.0A)
FLC  A 424 (-4.8A)
FLC  A 424 ( 2.7A)
 0.43A 4ubpC-3d6nA:
23.3		 4ubpC-3d6nA:
24.87
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.
3dc8 DIHYDROPYRIMIDINASE

(Sinorhizobium
meliloti) 		PF01979
(Amidohydro_1) 		5 HIS A  56
HIS A  58
HIS A 180
HIS A 236
ASP A 313
 ZN  A 502 (-3.3A)
ZN  A 502 (-3.3A)
ZN  A 501 (-3.1A)
ZN  A 501 (-3.4A)
ZN  A 502 (-2.7A)
 0.45A 4ubpC-3dc8A:
22.2		 4ubpC-3dc8A:
23.55
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.
3e0f PUTATIVE
METAL-DEPENDENT
PHOSPHOESTERASE

(Bifidobacterium
adolescentis) 		PF02811
(PHP) 		5 HIS A  17
HIS A  19
HIS A  85
HIS A 202
ASP A 260
 FE  A 303 (-3.3A)
FE  A 303 ( 3.5A)
FE  A 302 ( 3.2A)
FE  A 302 (-3.6A)
FE  A 303 ( 2.6A)
 0.54A 4ubpC-3e0fA:
2.2		 4ubpC-3e0fA:
19.65
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.
3e38 TWO-DOMAIN PROTEIN
CONTAINING PREDICTED
PHP-LIKE
METAL-DEPENDENT
PHOSPHOESTERASE

(Bacteroides
vulgatus) 		PF16392
(DUF5001) 		5 HIS A  44
HIS A  46
HIS A 122
HIS A 157
ASP A 214
 ZN  A   2 (-3.4A)
ZN  A   2 ( 3.2A)
ZN  A   1 ( 3.3A)
ZN  A   1 ( 3.4A)
ZN  A   2 ( 2.6A)
 0.55A 4ubpC-3e38A:
4.2		 4ubpC-3e38A:
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.
3e74 ALLANTOINASE

(Escherichia
coli) 		PF01979
(Amidohydro_1) 		5 HIS A  59
HIS A  61
HIS A 186
HIS A 242
ASP A 315
 FE  A 454 (-3.5A)
FE  A 454 (-3.4A)
FE  A 455 (-3.2A)
FE  A 455 (-3.6A)
FE  A 454 (-2.8A)
 0.46A 4ubpC-3e74A:
24.4		 4ubpC-3e74A:
22.15
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.
3gg7 UNCHARACTERIZED
METALLOPROTEIN

(Deinococcus
radiodurans) 		PF01026
(TatD_DNase) 		5 HIS A   5
HIS A   7
HIS A  58
HIS A 122
ASP A 194
 MN  A 253 (-3.3A)
MN  A 253 (-3.3A)
MRD  A 257 (-3.5A)
None
MN  A 253 (-2.7A)
 0.67A 4ubpC-3gg7A:
9.8		 4ubpC-3gg7A:
17.80
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.
3gip N-ACYL-D-GLUTAMATE
DEACYLASE

(Bordetella
bronchiseptica) 		PF07969
(Amidohydro_3) 		5 HIS A  66
HIS A  68
HIS A 218
HIS A 248
ASP A 365
 ACY  A 481 ( 4.9A)
ACY  A 481 (-4.8A)
ZN  A 484 ( 3.0A)
ZN  A 484 (-3.3A)
ACY  A 481 ( 2.5A)
 0.43A 4ubpC-3gipA:
20.1		 4ubpC-3gipA:
22.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gri DIHYDROOROTASE

(Staphylococcus
aureus) 		PF01979
(Amidohydro_1) 		5 HIS A  58
HIS A  60
HIS A 177
HIS A 230
ASP A 303
 ZN  A 500 (-3.3A)
ZN  A 500 (-3.7A)
None
ZN  A 500 ( 4.8A)
ZN  A 500 (-2.7A)
 0.45A 4ubpC-3griA:
22.3		 4ubpC-3griA:
24.75
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.
3guw UNCHARACTERIZED
PROTEIN AF_1765

(Archaeoglobus
fulgidus) 		PF01026
(TatD_DNase) 		6 HIS A   6
HIS A   8
HIS A  73
HIS A 129
HIS A 160
ASP A 207
 ZN  A 301 (-3.0A)
ZN  A 301 (-3.5A)
None
ZN  A 302 (-3.2A)
ZN  A 302 (-3.7A)
ZN  A 301 (-2.9A)
 1.00A 4ubpC-3guwA:
14.2		 4ubpC-3guwA:
17.31
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.
3hc1 UNCHARACTERIZED HDOD
DOMAIN PROTEIN

(Geobacter
sulfurreducens) 		PF08668
(HDOD) 		5 HIS A 151
HIS A 121
HIS A 192
HIS A 216
ASP A 237
 FE  A 306 (-3.5A)
FE  A 306 (-3.4A)
FE  A 305 (-3.5A)
FE  A 305 (-3.4A)
FE  A 306 (-2.8A)
 1.04A 4ubpC-3hc1A:
undetectable		 4ubpC-3hc1A:
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.
3hm7 ALLANTOINASE

(Bacillus
halodurans) 		PF01979
(Amidohydro_1) 		5 HIS A  63
HIS A  65
HIS A 186
HIS A 242
ASP A 315
 ZN  A 447 (-3.5A)
ZN  A 447 (-3.4A)
None
ZN  A 447 ( 4.9A)
ZN  A 447 (-2.8A)
 0.59A 4ubpC-3hm7A:
23.3		 4ubpC-3hm7A:
22.26
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.
3icj UNCHARACTERIZED
METAL-DEPENDENT
HYDROLASE

(Pyrococcus
furiosus) 		PF07969
(Amidohydro_3) 		5 HIS A  99
HIS A 101
HIS A 346
HIS A 371
ASP A 432
 ZN  A 601 (-3.5A)
ZN  A 601 (-3.5A)
ZN  A 602 (-3.2A)
ZN  A 602 (-3.5A)
ZN  A 601 (-2.6A)
 0.79A 4ubpC-3icjA:
16.5		 4ubpC-3icjA:
21.61
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.
3igh UNCHARACTERIZED
METAL-DEPENDENT
HYDROLASE

(Pyrococcus
horikoshii) 		PF07969
(Amidohydro_3) 		5 HIS X  83
HIS X  85
HIS X 330
HIS X 355
ASP X 416
 SO4  X   1 (-4.2A)
SO4  X   1 (-4.0A)
SO4  X   1 (-3.9A)
SO4  X   1 (-4.0A)
SO4  X   1 (-3.0A)
 0.86A 4ubpC-3ighX:
16.1		 4ubpC-3ighX:
23.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3jze DIHYDROOROTASE

(Salmonella
enterica) 		PF01979
(Amidohydro_1) 		5 HIS A  17
HIS A  19
HIS A 140
HIS A 178
ASP A 251
 ZN  A 401 (-3.3A)
ZN  A 401 ( 3.3A)
ZN  A 402 (-3.2A)
ZN  A 402 (-3.3A)
ZN  A 401 (-2.7A)
 0.47A 4ubpC-3jzeA:
19.4		 4ubpC-3jzeA:
21.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3k2g RESINIFERATOXIN-BIND
ING,
PHOSPHOTRIESTERASE-R
ELATED PROTEIN

(Rhodobacter
sphaeroides) 		PF02126
(PTE) 		5 HIS A  32
HIS A  34
HIS A 207
HIS A 236
ASP A 302
 ZN  A 400 (-3.3A)
ZN  A 400 (-3.3A)
ZN  A 401 (-3.4A)
ZN  A 401 (-3.5A)
ZN  A 400 (-2.6A)
 0.67A 4ubpC-3k2gA:
14.1		 4ubpC-3k2gA:
20.10
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) 		6 HIS A 407
HIS A 409
HIS A 492
HIS A 519
HIS A 545
ASP A 633
 NI  A 841 ( 3.3A)
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)
 0.19A 4ubpC-3la4A:
61.0		 4ubpC-3la4A:
40.07
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.
3mkv PUTATIVE
AMIDOHYDROLASE

(unidentified) 		PF01979
(Amidohydro_1) 		6 HIS A  63
HIS A  65
HIS A 140
HIS A 232
HIS A 252
ASP A 324
 ZN  A 425 (-3.2A)
ZN  A 425 (-3.3A)
SO4  A 427 (-4.0A)
ZN  A 426 ( 3.5A)
ZN  A 426 (-3.6A)
ZN  A 425 (-2.6A)
 1.29A 4ubpC-3mkvA:
17.7		 4ubpC-3mkvA:
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.
3mpg DIHYDROOROTASE

(Bacillus
anthracis) 		PF01979
(Amidohydro_1) 		5 HIS A  59
HIS A  61
HIS A 178
HIS A 231
ASP A 304
 ZN  A 429 (-3.4A)
ZN  A 429 (-3.6A)
ZN  A 430 (-3.3A)
ZN  A 430 (-3.6A)
ZN  A 429 (-2.9A)
 0.48A 4ubpC-3mpgA:
21.8		 4ubpC-3mpgA:
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.
3mtw L-ARGININE
CARBOXYPEPTIDASE
CC2672

(Caulobacter
vibrioides) 		PF01979
(Amidohydro_1) 		5 HIS A  90
HIS A  92
HIS A 252
HIS A 272
ASP A 344
 ZN  A   1 ( 3.2A)
ZN  A   1 ( 3.2A)
ZN  A   2 ( 3.2A)
ZN  A   2 ( 3.3A)
M3R  A 430 ( 2.4A)
 0.66A 4ubpC-3mtwA:
19.3		 4ubpC-3mtwA:
25.91
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.
3n2c PROLIDASE

(unidentified) 		PF01979
(Amidohydro_1) 		5 HIS A  63
HIS A  65
HIS A 229
HIS A 249
ASP A 321
 ZN  A 425 (-3.3A)
ZN  A 425 ( 3.3A)
ZN  A 426 ( 3.2A)
ZN  A 426 ( 3.8A)
ZN  A 425 ( 2.9A)
 0.72A 4ubpC-3n2cA:
18.3		 4ubpC-3n2cA:
23.45
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.
3ooq AMIDOHYDROLASE

(Thermotoga
maritima) 		PF01979
(Amidohydro_1) 		5 HIS A  63
HIS A  65
HIS A 226
HIS A 251
ASP A 306
 None
 0.95A 4ubpC-3ooqA:
16.5		 4ubpC-3ooqA:
24.10
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.
3orw PHOSPHOTRIESTERASE

(Geobacillus
kaustophilus) 		PF02126
(PTE) 		5 HIS A  23
HIS A  25
HIS A 178
HIS A 206
ASP A 266
 CO  A 327 (-3.3A)
CO  A 327 (-3.4A)
CO  A 328 (-3.3A)
CO  A 328 (-3.4A)
CO  A 327 (-2.6A)
 0.66A 4ubpC-3orwA:
13.0		 4ubpC-3orwA:
20.94
Potential target for repurposing, i.e. matched protein structure has less than 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) 		6 HIS A  24
HIS A  26
HIS A 100
HIS A 186
HIS A 214
ASP A 272
 ZN  A 362 (-3.6A)
ZN  A 362 (-3.5A)
KCX  A 153 ( 4.1A)
ZN  A 363 (-3.5A)
ZN  A 363 (-3.5A)
ZN  A 362 (-2.7A)
 0.85A 4ubpC-3ovgA:
2.9		 4ubpC-3ovgA:
21.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pnu DIHYDROOROTASE

(Campylobacter
jejuni) 		PF04909
(Amidohydro_2) 		5 HIS A  10
HIS A  12
HIS A 131
HIS A 165
ASP A 237
 ZN  A 337 (-3.3A)
ZN  A 337 (-3.4A)
ZN  A 336 (-3.1A)
ZN  A 336 (-3.2A)
ZN  A 337 (-2.9A)
 0.49A 4ubpC-3pnuA:
18.0		 4ubpC-3pnuA:
20.21
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.
3pnz PHOSPHOTRIESTERASE
FAMILY PROTEIN

(Listeria
monocytogenes) 		PF02126
(PTE) 		5 HIS A  22
HIS A  24
HIS A 187
HIS A 215
ASP A 272
 ZN  A 333 ( 3.3A)
ZN  A 333 ( 3.3A)
ZN  A 334 ( 3.2A)
ZN  A 334 ( 3.4A)
ZN  A 333 ( 2.8A)
 0.69A 4ubpC-3pnzA:
4.2		 4ubpC-3pnzA:
22.71
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) 		6 HIS C 135
HIS C 137
HIS C 220
HIS C 247
HIS C 273
ASP C 361
 FE  C 775 (-3.5A)
FE  C 775 (-3.3A)
KCX  C 218 (-4.2A)
FE  C 774 (-3.4A)
FE  C 774 (-3.3A)
FE  C 775 (-2.5A)
 0.23A 4ubpC-3qgkC:
60.0		 4ubpC-3qgkC:
60.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rhg PUTATIVE
PHOPHOTRIESTERASE

(Proteus
mirabilis) 		PF02126
(PTE) 		5 HIS A  23
HIS A  25
HIS A 199
HIS A 229
ASP A 294
 ZN  A 367 ( 3.2A)
ZN  A 367 ( 3.2A)
ZN  A 368 (-3.1A)
ZN  A 368 (-3.2A)
CAC  A 370 (-2.4A)
 0.65A 4ubpC-3rhgA:
14.9		 4ubpC-3rhgA:
20.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3sfw DIHYDROPYRIMIDINASE

(Brevibacillus
agri) 		PF01979
(Amidohydro_1) 		5 HIS A  58
HIS A  60
HIS A 183
HIS A 239
ASP A 315
 ZN  A 502 (-3.3A)
ZN  A 502 (-3.3A)
ZN  A 501 (-3.3A)
ZN  A 501 (-3.4A)
ZN  A 502 (-2.7A)
 0.48A 4ubpC-3sfwA:
24.5		 4ubpC-3sfwA:
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.
3t8l ADENINE DEAMINASE 2

(Agrobacterium
fabrum) 		PF01979
(Amidohydro_1)
PF13382
(Adenine_deam_C) 		5 HIS A  92
HIS A  94
HIS A 218
HIS A 239
ASP A 289
 UNX  A 608 ( 3.2A)
UNX  A 608 ( 3.4A)
UNX  A 606 ( 3.2A)
UNX  A 606 ( 3.6A)
UNX  A 608 ( 2.4A)
 1.01A 4ubpC-3t8lA:
20.2		 4ubpC-3t8lA:
25.67
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.
3tmc UNCHARACTERIZED
PROTEIN

(Bdellovibrio
bacteriovorus) 		PF13487
(HD_5) 		5 HIS A 183
HIS A 150
HIS A 187
HIS A 212
HIS A 237
 FE  A 310 (-3.4A)
FE  A 310 ( 3.3A)
PO4  A 311 (-3.9A)
FE  A 309 ( 3.4A)
FE  A 309 (-3.4A)
 1.00A 4ubpC-3tmcA:
undetectable		 4ubpC-3tmcA:
20.87
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.
4c6o CAD PROTEIN

(Homo sapiens) 		PF01979
(Amidohydro_1) 		5 HIS A1471
HIS A1473
HIS A1590
HIS A1614
ASP A1686
 ZN  A2822 ( 3.2A)
ZN  A2822 ( 3.2A)
ZN  A2823 (-3.0A)
ZN  A2823 (-3.2A)
ZN  A2822 (-2.6A)
 0.45A 4ubpC-4c6oA:
23.5		 4ubpC-4c6oA:
21.95
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) 		6 HIS B 407
HIS B 409
HIS B 492
HIS B 519
HIS B 545
ASP B 633
 NI  B 901 (-3.3A)
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)
 0.22A 4ubpC-4g7eB:
63.7		 4ubpC-4g7eB:
40.09
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.
4gz7 DIHYDROPYRIMIDINASE

(Tetraodon
nigroviridis) 		PF01979
(Amidohydro_1) 		5 HIS A  63
HIS A  65
HIS A 188
HIS A 244
ASP A 322
 None
MHA  A 601 (-3.8A)
None
MHA  A 601 (-3.8A)
MHA  A 601 (-2.0A)
 0.63A 4ubpC-4gz7A:
21.9		 4ubpC-4gz7A:
21.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4i6k AMIDOHYDROLASE
FAMILY PROTEIN

(Acinetobacter
baumannii) 		PF04909
(Amidohydro_2) 		5 HIS A   9
HIS A  11
HIS A 134
HIS A 158
ASP A 226
 CIT  A 301 (-4.1A)
CIT  A 301 (-4.1A)
CIT  A 301 (-3.9A)
CIT  A 301 (-4.1A)
CIT  A 301 (-2.5A)
 1.02A 4ubpC-4i6kA:
11.4		 4ubpC-4i6kA:
20.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4if2 PHOSPHOTRIESTERASE
HOMOLOGY PROTEIN

(Mycobacterium
tuberculosis) 		PF02126
(PTE) 		5 HIS A  22
HIS A  24
HIS A 178
HIS A 207
ASP A 264
 ZN  A 401 (-3.4A)
ZN  A 401 (-3.2A)
ZN  A 402 (-3.3A)
ZN  A 402 (-3.4A)
ZN  A 401 (-2.4A)
 0.68A 4ubpC-4if2A:
13.3		 4ubpC-4if2A:
22.11
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.
4j35 PHOSPHOTRIESTERASE,
PUTATIVE

(Deinococcus
radiodurans) 		PF02126
(PTE) 		5 HIS A  21
HIS A  23
HIS A 176
HIS A 204
ASP A 264
 CO  A 402 (-3.3A)
CO  A 402 (-3.2A)
CO  A 401 (-3.2A)
CO  A 401 (-3.2A)
CO  A 402 (-2.7A)
 0.73A 4ubpC-4j35A:
13.6		 4ubpC-4j35A:
20.80
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.
4kqn D-HYDANTOINASE

(Bacillus sp.
AR9) 		PF01979
(Amidohydro_1) 		5 HIS A  58
HIS A  60
HIS A 183
HIS A 239
ASP A 315
 HIS  A  58 (-1.0A)
HIS  A  60 (-1.0A)
HIS  A 183 (-1.0A)
HIS  A 239 (-1.0A)
ASP  A 315 (-0.6A)
 0.44A 4ubpC-4kqnA:
24.0		 4ubpC-4kqnA:
25.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4lfy DIHYDROOROTASE

(Burkholderia
cenocepacia) 		PF01979
(Amidohydro_1) 		5 HIS A  31
HIS A  33
HIS A 154
HIS A 192
ASP A 268
 ZN  A 401 (-3.3A)
ZN  A 401 (-3.3A)
ZN  A 402 (-3.2A)
ZN  A 402 (-3.2A)
ZN  A 401 (-2.7A)
 0.47A 4ubpC-4lfyA:
18.7		 4ubpC-4lfyA:
19.97
Potential target for repurposing, i.e. matched protein structure has less than 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  34
HIS A  80
HIS A 104
ASP A 161
 FE  A 201 (-3.2A)
FE  A 201 (-3.4A)
FE  A 202 ( 3.4A)
FE  A 202 ( 3.3A)
FE  A 201 (-2.4A)
 1.02A 4ubpC-4mlnA:
undetectable		 4ubpC-4mlnA:
15.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.87A 4ubpC-4mlnA:
undetectable		 4ubpC-4mlnA:
15.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4n6w PREDICTED HD
PHOSPHOHYDROLASE
PHNZ

(uncultured
bacterium
HF130_AEPn_1) 		PF01966
(HD) 		5 HIS A  58
HIS A  34
HIS A  80
HIS A 104
ASP A 161
 FE  A 202 (-3.3A)
FE  A 202 ( 3.3A)
FE  A 201 ( 3.4A)
FE  A 201 ( 3.4A)
FE  A 202 ( 2.5A)
 1.02A 4ubpC-4n6wA:
undetectable		 4ubpC-4n6wA:
16.25
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.
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)
 0.90A 4ubpC-4n6wA:
undetectable		 4ubpC-4n6wA:
16.25
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.
4q2c CRISPR-ASSOCIATED
HELICASE CAS3

(Thermobaculum
terrenum) 		PF00271
(Helicase_C) 		5 HIS A  98
HIS A  52
HIS A 138
HIS A 171
ASP A 237
 NI  A1001 (-3.4A)
NI  A1001 (-3.2A)
NI  A1002 (-3.3A)
NI  A1002 (-3.3A)
NI  A1001 ( 2.7A)
 1.02A 4ubpC-4q2cA:
undetectable		 4ubpC-4q2cA:
21.02
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.
4rdy PARATHION HYDROLASE

(Vulcanisaeta
moutnovskia) 		PF02126
(PTE) 		5 HIS A  23
HIS A  25
HIS A 171
HIS A 200
ASP A 257
 CO  A 401 (-3.3A)
CO  A 401 ( 3.3A)
CO  A 402 ( 3.1A)
CO  A 402 (-3.3A)
CO  A 401 ( 2.5A)
 0.66A 4ubpC-4rdyA:
13.3		 4ubpC-4rdyA:
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.
4s1b LMO1466 PROTEIN

(Listeria
monocytogenes) 		PF01966
(HD) 		5 HIS A 543
HIS A 514
HIS A 580
HIS A 604
ASP A 648
 FE  A 802 (-3.4A)
FE  A 802 ( 3.4A)
FE  A 801 ( 3.5A)
FE  A 801 (-3.5A)
FE  A 802 ( 2.6A)
 1.07A 4ubpC-4s1bA:
undetectable		 4ubpC-4s1bA:
15.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4tqt D-HYDANTOINASE

(Brucella suis) 		PF01979
(Amidohydro_1) 		5 HIS A  61
HIS A  63
HIS A 184
HIS A 240
ASP A 317
 ZN  A 501 (-3.4A)
ZN  A 501 (-3.3A)
ZN  A 502 (-3.3A)
ZN  A 502 (-3.5A)
ZN  A 501 (-2.8A)
 0.40A 4ubpC-4tqtA:
22.5		 4ubpC-4tqtA:
23.47
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) 		6 HIS C 139
HIS C 141
HIS C 224
HIS C 251
HIS C 277
ASP C 365
 NI  C 602 ( 3.0A)
NI  C 602 (-3.7A)
NI  C 601 (-4.7A)
NI  C 601 (-3.3A)
NI  C 601 (-4.6A)
NI  C 602 ( 1.9A)
 0.56A 4ubpC-4z42C:
58.0		 4ubpC-4z42C:
57.69
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.
5ao0 DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1

(Homo sapiens) 		PF01966
(HD) 		5 HIS A 206
HIS A 167
HIS A 210
HIS A 233
ASP A 311
 FE  A1001 ( 3.2A)
FE  A1001 ( 3.6A)
DG3  A2001 (-4.6A)
DG3  A2001 (-3.4A)
FE  A1001 ( 2.6A)
 1.06A 4ubpC-5ao0A:
undetectable		 4ubpC-5ao0A:
23.87
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) 		6 HIS C 137
HIS C 139
HIS C 222
HIS C 249
HIS C 275
ASP C 363
 NI  C 601 ( 3.2A)
NI  C 601 (-3.5A)
KCX  C 220 ( 4.1A)
NI  C 600 ( 3.2A)
NI  C 600 ( 3.3A)
NI  C 601 ( 2.6A)
 0.21A 4ubpC-5fseC:
75.7		 4ubpC-5fseC:
99.47
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.
5vgm DIHYDROOROTASE

(Vibrio cholerae) 		PF01979
(Amidohydro_1) 		5 HIS A  13
HIS A  15
HIS A 135
HIS A 173
ASP A 246
 ZN  A 402 (-3.3A)
ZN  A 402 (-3.3A)
ZN  A 401 (-3.2A)
ZN  A 401 (-3.3A)
ZN  A 402 (-2.7A)
 0.47A 4ubpC-5vgmA:
19.0		 4ubpC-5vgmA:
21.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5w3w ARYLDIALKYLPHOSPHATA
SE

(Sulfolobus
solfataricus) 		no annotation 5 HIS A  22
HIS A  24
HIS A 170
HIS A 199
ASP A 256
 FE  A 401 (-3.3A)
FE  A 401 (-3.2A)
CO  A 402 (-3.1A)
CO  A 402 (-3.1A)
FE  A 401 (-2.4A)
 0.68A 4ubpC-5w3wA:
13.1		 4ubpC-5w3wA:
10.35
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.
5xgw ISOASPARTYL
DIPEPTIDASE

(Colwellia
psychrerythraea) 		no annotation 5 HIS A  71
HIS A  73
HIS A 205
HIS A 234
ASP A 293
 ZN  A 401 (-3.4A)
ZN  A 401 (-3.4A)
ZN  A 402 (-3.2A)
ZN  A 402 (-3.3A)
ZN  A 401 (-2.6A)
 0.64A 4ubpC-5xgwA:
21.8		 4ubpC-5xgwA:
9.06
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.
5ykd D-HYDANTOINASE/DIHYD
ROPYRIMIDINASE

(Pseudomonas
aeruginosa) 		no annotation 5 HIS A  59
HIS A  61
HIS A 183
HIS A 239
ASP A 316
 ZN  A 502 (-3.4A)
ZN  A 502 (-3.3A)
ZN  A 501 (-3.3A)
ZN  A 501 (-3.4A)
ZN  A 502 (-2.9A)
 0.44A 4ubpC-5ykdA:
22.7		 4ubpC-5ykdA:
8.87
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.
5zb8 PFUENDOQ

(Pyrococcus
furiosus) 		no annotation 5 HIS A   8
HIS A  10
HIS A  84
HIS A 139
ASP A 193
 ZN  A 502 (-3.3A)
ZN  A 502 (-3.3A)
ZN  A 501 (-3.2A)
ZN  A 501 (-3.3A)
ZN  A 502 (-2.5A)
 0.68A 4ubpC-5zb8A:
4.8		 4ubpC-5zb8A:
9.96
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.
6c66 CRISPR-ASSOCIATED
HELICASE, CAS3
FAMILY

(Thermobifida
fusca) 		no annotation 5 HIS G  83
HIS G  37
HIS G 115
HIS G 149
ASP G 215
 FE  G1002 ( 3.5A)
FE  G1002 (-3.4A)
FE  G1001 (-4.4A)
FE  G1001 (-3.2A)
FE  G1002 ( 2.7A)
 0.96A 4ubpC-6c66G:
undetectable		 4ubpC-6c66G:
8.60
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.
6cty DIHYDROOROTASE

(Yersinia pestis) 		no annotation 5 HIS A  17
HIS A  19
HIS A 140
HIS A 178
ASP A 251
 ZN  A 402 (-3.4A)
ZN  A 402 ( 3.3A)
ZN  A 401 ( 3.2A)
ZN  A 401 ( 3.4A)
ZN  A 402 ( 2.8A)
 0.49A 4ubpC-6ctyA:
19.4		 4ubpC-6ctyA:
9.22
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.
6fv4 N-ACETYLGLUCOSAMINE-
6-PHOSPHATE
DEACETYLASE

(Mycolicibacterium
smegmatis) 		no annotation 5 HIS A  56
HIS A  58
HIS A 134
HIS A 188
HIS A 209
 ZN  A 401 ( 3.3A)
ZN  A 401 ( 3.2A)
16G  A 402 (-4.0A)
CD  A 403 ( 3.6A)
CD  A 403 ( 3.7A)
 1.12A 4ubpC-6fv4A:
19.7		 4ubpC-6fv4A:
15.20