SIMILAR PATTERNS OF AMINO ACIDS FOR 1FWE_C_HAEC989_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
 0.39A 1fweC-1a5lC:
65.0		 1fweC-1a5lC:
99.65
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
 0.92A 1fweC-1a5lC:
65.0		 1fweC-1a5lC:
99.65
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.
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)
 0.82A 1fweC-1bf6A:
12.8		 1fweC-1bf6A:
20.42
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)
 0.26A 1fweC-1e9yB:
60.2		 1fweC-1e9yB:
61.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.54A 1fweC-1gkpA:
24.3		 1fweC-1gkpA:
24.71
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.
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)
 0.58A 1fweC-1gkrA:
24.1		 1fweC-1gkrA:
24.71
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.
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
 0.87A 1fweC-1j6oA:
14.7		 1fweC-1j6oA:
17.91
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.
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)
 0.63A 1fweC-1k1dA:
23.9		 1fweC-1k1dA:
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.
1kcw CERULOPLASMIN

(Homo sapiens) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 HIS A 161
HIS A 163
HIS A1020
HIS A 978
HIS A 103
 CU  A1051 (-3.3A)
CU  A1050 (-3.3A)
CU  A1050 (-3.2A)
CU  A1052 ( 3.2A)
CU  A1051 (-3.3A)
 1.22A 1fweC-1kcwA:
undetectable		 1fweC-1kcwA:
19.80
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.
1m68 HYPOTHETICAL PROTEIN
YCDX

(Escherichia
coli) 		PF02811
(PHP) 		5 HIS A   7
HIS A  40
HIS A 101
HIS A 131
ASP A 192
 ZN  A 302 (-3.2A)
ZN  A 301 (-3.2A)
ZN  A 303 (-3.2A)
ZN  A 303 (-3.4A)
ZN  A 302 (-2.6A)
 1.23A 1fweC-1m68A:
6.2		 1fweC-1m68A:
20.07
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.
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)
 0.73A 1fweC-1m7jA:
8.4		 1fweC-1m7jA:
25.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.50A 1fweC-1nfgA:
24.0		 1fweC-1nfgA:
23.69
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.
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
 1.04A 1fweC-1o12A:
19.1		 1fweC-1o12A:
21.89
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.
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)
 0.86A 1fweC-1pojA:
21.8		 1fweC-1pojA:
24.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.76A 1fweC-1yixA:
15.8		 1fweC-1yixA:
18.83
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.
1zpu IRON TRANSPORT
MULTICOPPER OXIDASE
FET3

(Saccharomyces
cerevisiae) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 HIS A 485
HIS A 483
HIS A 418
HIS A  81
HIS A 126
 CU1  A1003 (-3.4A)
CU1  A1002 (-3.3A)
CU1  A1002 ( 3.3A)
CU1  A1004 (-3.3A)
CU1  A1003 (-3.2A)
 1.31A 1fweC-1zpuA:
undetectable		 1fweC-1zpuA:
21.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.82A 1fweC-1zzmA:
14.1		 1fweC-1zzmA:
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.
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)
 0.74A 1fweC-2ftwA:
22.1		 1fweC-2ftwA:
23.35
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.
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)
 0.73A 1fweC-2fvmA:
20.7		 1fweC-2fvmA:
22.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.76A 1fweC-2gzxA:
13.8		 1fweC-2gzxA:
18.53
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.
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)
 1.18A 1fweC-2i7tA:
undetectable		 1fweC-2i7tA:
22.66
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.
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)
 1.15A 1fweC-2ibnA:
undetectable		 1fweC-2ibnA:
16.97
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.
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)
 0.81A 1fweC-2icsA:
21.2		 1fweC-2icsA:
21.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 1.18A 1fweC-2o08A:
undetectable		 1fweC-2o08A:
18.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.82A 1fweC-2ogjA:
18.9		 1fweC-2ogjA:
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.
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
 0.95A 1fweC-2p9bA:
20.4		 1fweC-2p9bA:
23.77
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.
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)
 1.15A 1fweC-2pq7A:
undetectable		 1fweC-2pq7A:
17.57
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.
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)
 0.90A 1fweC-2qs8A:
19.5		 1fweC-2qs8A:
22.69
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.
2qs8 XAA-PRO DIPEPTIDASE

(Alteromonas
macleodii) 		PF01979
(Amidohydro_1) 		5 HIS A  69
HIS A 150
HIS A 235
HIS A 255
ASP A 328
 MG  A 500 (-3.6A)
MET  A 600 (-4.1A)
MET  A 600 (-4.4A)
MET  A 600 ( 4.3A)
MG  A 500 ( 2.8A)
 1.24A 1fweC-2qs8A:
19.5		 1fweC-2qs8A:
22.69
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.
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)
 0.69A 1fweC-2vhlA:
19.9		 1fweC-2vhlA:
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.
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)
 0.83A 1fweC-2vr2A:
22.4		 1fweC-2vr2A:
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.
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)
 0.65A 1fweC-2vunA:
21.8		 1fweC-2vunA:
24.25
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.
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)
 0.94A 1fweC-2w9mA:
8.0		 1fweC-2w9mA:
23.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2w9m POLYMERASE X

(Deinococcus
radiodurans) 		PF14520
(HHH_5)
PF14716
(HHH_8) 		5 HIS A 332
HIS A 364
HIS A 428
HIS A 456
ASP A 516
 ZN  A1566 (-3.4A)
ZN  A1565 (-3.2A)
ZN  A1567 (-3.4A)
ZN  A1567 (-3.6A)
ZN  A1566 (-2.5A)
 1.14A 1fweC-2w9mA:
8.0		 1fweC-2w9mA:
23.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 1.19A 1fweC-2xr1A:
undetectable		 1fweC-2xr1A:
23.91
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.
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)
 0.64A 1fweC-2y1hA:
12.7		 1fweC-2y1hA:
20.42
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.
2yb4 AMIDOHYDROLASE

(Chromobacterium
violaceum) 		PF02811
(PHP) 		5 HIS A   7
HIS A   9
HIS A  75
HIS A 191
ASP A 248
 None
 0.92A 1fweC-2yb4A:
2.4		 1fweC-2yb4A:
20.42
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.
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)
 0.63A 1fweC-2z00A:
21.8		 1fweC-2z00A:
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.
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)
 0.57A 1fweC-2z2bA:
6.5		 1fweC-2z2bA:
20.25
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.
3af5 PUTATIVE
UNCHARACTERIZED
PROTEIN PH1404

(Pyrococcus
horikoshii) 		PF07521
(RMMBL)
PF10996
(Beta-Casp)
PF16661
(Lactamase_B_6)
PF17214
(KH_7) 		5 HIS A 261
HIS A 344
HIS A 594
HIS A 618
ASP A 260
 ZN  A 665 (-3.3A)
ZN  A 662 (-3.4A)
SO4  A 657 (-3.4A)
ZN  A 665 ( 3.3A)
ZN  A 665 ( 2.9A)
 1.32A 1fweC-3af5A:
2.8		 1fweC-3af5A:
22.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.83A 1fweC-3be7A:
12.1		 1fweC-3be7A:
21.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.21A 1fweC-3be7A:
12.1		 1fweC-3be7A:
21.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 1.19A 1fweC-3ccgA:
undetectable		 1fweC-3ccgA:
17.03
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.
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)
 0.89A 1fweC-3cjpA:
15.2		 1fweC-3cjpA:
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.
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)
 0.46A 1fweC-3d6nA:
23.1		 1fweC-3d6nA:
23.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.57A 1fweC-3dc8A:
22.0		 1fweC-3dc8A:
23.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dcp HISTIDINOL-PHOSPHATA
SE

(Listeria
monocytogenes) 		PF02811
(PHP)
PF13263
(PHP_C) 		5 HIS A   6
HIS A   8
HIS A 123
HIS A 181
ASP A 258
 FE  A 311 (-3.3A)
FE  A 311 (-3.4A)
FE  A 310 (-3.3A)
FE  A 310 (-3.5A)
FE  A 311 (-2.6A)
 0.95A 1fweC-3dcpA:
5.4		 1fweC-3dcpA:
18.04
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.
3dkh LACCASE-1

(Melanocarpus
albomyces) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 HIS A 138
HIS A 140
HIS A 502
HIS A 434
HIS A  95
 CU  A 603 ( 3.3A)
CU  A 602 ( 3.3A)
CU  A 602 ( 3.2A)
CU  A 604 (-3.2A)
CU  A 603 ( 3.2A)
 1.23A 1fweC-3dkhA:
undetectable		 1fweC-3dkhA:
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)
 0.55A 1fweC-3e0fA:
2.6		 1fweC-3e0fA:
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.
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)
 0.57A 1fweC-3e38A:
undetectable		 1fweC-3e38A:
20.51
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.
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)
 0.59A 1fweC-3e74A:
24.2		 1fweC-3e74A:
24.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.74A 1fweC-3gg7A:
11.9		 1fweC-3gg7A:
17.99
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.
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)
 0.64A 1fweC-3gipA:
16.9		 1fweC-3gipA:
26.21
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.
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)
 0.64A 1fweC-3griA:
21.5		 1fweC-3griA:
23.75
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) 		5 HIS A   6
HIS A   8
HIS A  73
HIS A 129
ASP A 207
 ZN  A 301 (-3.0A)
ZN  A 301 (-3.5A)
None
ZN  A 302 (-3.2A)
ZN  A 301 (-2.9A)
 0.76A 1fweC-3guwA:
14.8		 1fweC-3guwA:
19.61
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.
3guw UNCHARACTERIZED
PROTEIN AF_1765

(Archaeoglobus
fulgidus) 		PF01026
(TatD_DNase) 		5 HIS A   6
HIS A   8
HIS A  73
HIS A 129
HIS A 160
 ZN  A 301 (-3.0A)
ZN  A 301 (-3.5A)
None
ZN  A 302 (-3.2A)
ZN  A 302 (-3.7A)
 1.13A 1fweC-3guwA:
14.8		 1fweC-3guwA:
19.61
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.
3gyr PHENOXAZINONE
SYNTHASE

(Streptomyces
antibioticus) 		PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 HIS A 201
HIS A 203
HIS A 602
HIS A 527
HIS A 163
 C2O  A1002 (-3.7A)
C2O  A1002 (-3.4A)
C2O  A1002 (-3.4A)
CU  A1004 ( 3.2A)
C2O  A1002 (-3.3A)
 1.20A 1fweC-3gyrA:
undetectable		 1fweC-3gyrA:
21.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.74A 1fweC-3hm7A:
23.4		 1fweC-3hm7A:
23.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.94A 1fweC-3ighX:
3.4		 1fweC-3ighX:
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.
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)
 0.62A 1fweC-3jzeA:
5.1		 1fweC-3jzeA:
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.
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)
 0.79A 1fweC-3k2gA:
13.8		 1fweC-3k2gA:
21.57
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)
 0.23A 1fweC-3la4A:
57.9		 1fweC-3la4A:
41.43
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.
3lnp AMIDOHYDROLASE
FAMILY PROTEIN
OLEI01672_1_465

(Oleispira
antarctica) 		PF01979
(Amidohydro_1) 		5 HIS A  88
HIS A  90
HIS A 216
HIS A 280
ASP A 331
 CA  A 471 (-3.6A)
CA  A 471 (-3.6A)
None
None
CA  A 471 (-2.7A)
 1.12A 1fweC-3lnpA:
18.7		 1fweC-3lnpA:
23.79
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.
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)
 0.56A 1fweC-3mpgA:
21.5		 1fweC-3mpgA:
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.
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)
 0.78A 1fweC-3mtwA:
19.8		 1fweC-3mtwA:
25.60
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.
3mtw L-ARGININE
CARBOXYPEPTIDASE
CC2672

(Caulobacter
vibrioides) 		PF01979
(Amidohydro_1) 		5 HIS A  90
HIS A 171
HIS A 252
HIS A 272
ASP A 344
 ZN  A   1 ( 3.2A)
M3R  A 430 (-3.9A)
ZN  A   2 ( 3.2A)
ZN  A   2 ( 3.3A)
M3R  A 430 ( 2.4A)
 1.25A 1fweC-3mtwA:
19.8		 1fweC-3mtwA:
25.60
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.
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)
 0.82A 1fweC-3orwA:
13.4		 1fweC-3orwA:
20.35
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.
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)
 0.93A 1fweC-3ovgA:
13.4		 1fweC-3ovgA:
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.
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)
 0.65A 1fweC-3pnuA:
5.4		 1fweC-3pnuA:
20.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.82A 1fweC-3pnzA:
13.8		 1fweC-3pnzA:
21.16
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)
 0.34A 1fweC-3qgkC:
60.4		 1fweC-3qgkC:
59.40
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.
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)
 0.80A 1fweC-3rhgA:
15.1		 1fweC-3rhgA:
22.01
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.
3sbq NITROUS-OXIDE
REDUCTASE

(Pseudomonas
stutzeri) 		no annotation 5 HIS A 130
HIS A 178
HIS A 326
HIS A 382
HIS A 433
 CUK  A 702 (-3.2A)
CUK  A 702 (-3.1A)
CUK  A 702 (-3.1A)
CUK  A 702 ( 3.3A)
CUK  A 702 (-3.1A)
 1.33A 1fweC-3sbqA:
undetectable		 1fweC-3sbqA:
21.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.61A 1fweC-3sfwA:
24.4		 1fweC-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.
3t3o METAL DEPENDENT
HYDROLASE

(Thermus
thermophilus) 		PF07521
(RMMBL)
PF12706
(Lactamase_B_2) 		5 HIS A  80
HIS A 150
HIS A 376
HIS A 398
ASP A  79
 ZN  A 600 (-3.6A)
None
None
ZN  A 600 (-3.6A)
ZN  A 600 (-2.5A)
 1.30A 1fweC-3t3oA:
undetectable		 1fweC-3t3oA:
23.31
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.
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
 1.29A 1fweC-3t3oA:
undetectable		 1fweC-3t3oA:
23.31
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.
3zq4 RIBONUCLEASE J 1

(Bacillus
subtilis) 		PF00753
(Lactamase_B)
PF07521
(RMMBL) 		5 HIS A  79
HIS A 142
HIS A 368
HIS A 390
ASP A  78
 ZN  A1556 (-3.2A)
ZN  A1557 (-3.3A)
None
ZN  A1556 (-3.4A)
ZN  A1556 (-2.5A)
 1.33A 1fweC-3zq4A:
3.4		 1fweC-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.
4c60 OCHRATOXINASE

(Aspergillus
niger) 		PF01979
(Amidohydro_1) 		5 HIS A 111
HIS A 191
HIS A 287
HIS A 307
ASP A 378
 None
 1.25A 1fweC-4c60A:
17.7		 1fweC-4c60A:
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.
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)
 0.62A 1fweC-4c6oA:
5.4		 1fweC-4c6oA:
20.81
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)
 0.30A 1fweC-4g7eB:
59.7		 1fweC-4g7eB:
40.95
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.
4gk8 HISTIDINOL-PHOSPHATA
SE

(Lactococcus
lactis) 		PF02811
(PHP) 		5 HIS A   9
HIS A  11
HIS A 109
HIS A 154
ASP A 228
 ZN  A 303 (-3.3A)
ZN  A 303 ( 3.3A)
ZN  A 301 ( 3.3A)
ZN  A 301 ( 3.3A)
ZN  A 303 ( 2.6A)
 1.00A 1fweC-4gk8A:
8.0		 1fweC-4gk8A:
19.79
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.
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)
 0.67A 1fweC-4gz7A:
21.9		 1fweC-4gz7A:
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.
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)
 0.85A 1fweC-4if2A:
13.7		 1fweC-4if2A:
21.44
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.
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)
 0.56A 1fweC-4kqnA:
24.2		 1fweC-4kqnA:
24.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.64A 1fweC-4lfyA:
5.8		 1fweC-4lfyA:
22.03
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.
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)
 1.14A 1fweC-4n6wA:
undetectable		 1fweC-4n6wA:
17.79
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.
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)
 0.98A 1fweC-4n6wA:
undetectable		 1fweC-4n6wA:
17.79
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.
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)
 0.81A 1fweC-4rdyA:
13.6		 1fweC-4rdyA:
22.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 1.17A 1fweC-4s1bA:
undetectable		 1fweC-4s1bA:
17.06
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.
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)
 0.50A 1fweC-4tqtA:
22.5		 1fweC-4tqtA:
22.63
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)
 0.68A 1fweC-4z42C:
58.3		 1fweC-4z42C:
59.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5b7i CRISPR-ASSOCIATED
NUCLEASE/HELICASE
CAS3 SUBTYPE
I-F/YPEST

(Pseudomonas
aeruginosa) 		no annotation 5 HIS A 123
HIS A 352
HIS A 149
HIS A 220
ASP A 315
 CA  A1102 (-3.9A)
CA  A1102 (-3.6A)
CA  A1101 (-3.8A)
CA  A1101 (-3.7A)
CA  A1102 (-2.6A)
 1.17A 1fweC-5b7iA:
undetectable		 1fweC-5b7iA:
20.81
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)
 0.30A 1fweC-5fseC:
60.8		 1fweC-5fseC:
64.27
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.
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)
 0.63A 1fweC-5vgmA:
6.1		 1fweC-5vgmA:
23.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.77A 1fweC-5xgwA:
22.4		 1fweC-5xgwA:
7.64
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.
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)
 0.58A 1fweC-5ykdA:
22.7		 1fweC-5ykdA:
11.35
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.
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)
 0.77A 1fweC-5zb8A:
5.3		 1fweC-5zb8A:
9.34
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.
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)
 1.01A 1fweC-6c66G:
undetectable		 1fweC-6c66G:
8.96
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.
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)
 0.62A 1fweC-6ctyA:
6.2		 1fweC-6ctyA:
9.01
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.
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)
 1.11A 1fweC-6fv4A:
19.8		 1fweC-6fv4A:
15.07