SIMILAR PATTERNS OF AMINO ACIDS FOR 1A4L_C_DCFC1353_1

List of similar pattern of amino acids derived from ASSAM search

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

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1k0f PERIPLASMIC
ZINC-BINDING PROTEIN
TROA

(Treponema
pallidum) 		PF01297
(ZnuA) 		5 HIS A 133
HIS A  68
GLU A 248
ASP A 279
ASP A  66
 None
 1.24A 1a4lC-1k0fA:
undetectable		 1a4lC-1k0fA:
21.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kcw CERULOPLASMIN

(Homo sapiens) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 HIS A 980
HIS A1020
ALA A 166
HIS A 163
HIS A 101
 CU  A1050 (-3.0A)
CU  A1050 (-3.2A)
None
CU  A1050 (-3.3A)
CU  A1052 (-3.2A)
 1.29A 1a4lC-1kcwA:
undetectable		 1a4lC-1kcwA:
15.44
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.
1kq0 METHIONINE
AMINOPEPTIDASE 2

(Homo sapiens) 		PF00557
(Peptidase_M24) 		5 PHE A 219
ALA A 362
HIS A 331
HIS A 339
ASP A 251
 MED  A 601 ( 3.9A)
ZN  A 480 ( 3.7A)
ZN  A 480 ( 3.4A)
MED  A 601 (-3.3A)
ZN  A 479 ( 1.9A)
 1.19A 1a4lC-1kq0A:
undetectable		 1a4lC-1kq0A:
19.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1krm ADENOSINE DEAMINASE

(Bos taurus) 		PF00962
(A_deaminase) 		11 HIS A  12
HIS A  14
PHE A  58
PHE A  62
MET A 152
ALA A 180
HIS A 211
GLU A 214
HIS A 235
ASP A 292
ASP A 293
 ZN  A 501 ( 3.3A)
PRH  A 401 ( 3.0A)
None
PRH  A 401 ( 4.4A)
PRH  A 401 (-4.1A)
PRH  A 401 ( 3.8A)
ZN  A 501 ( 3.4A)
PRH  A 401 (-2.5A)
PRH  A 401 (-4.0A)
PRH  A 401 ( 2.5A)
PRH  A 401 (-3.5A)
 0.49A 1a4lC-1krmA:
58.0		 1a4lC-1krmA:
84.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1krm ADENOSINE DEAMINASE

(Bos taurus) 		PF00962
(A_deaminase) 		6 HIS A  12
HIS A  14
PHE A 297
HIS A 235
ASP A 292
ASP A 293
 ZN  A 501 ( 3.3A)
PRH  A 401 ( 3.0A)
None
PRH  A 401 (-4.0A)
PRH  A 401 ( 2.5A)
PRH  A 401 (-3.5A)
 1.46A 1a4lC-1krmA:
58.0		 1a4lC-1krmA:
84.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1krm ADENOSINE DEAMINASE

(Bos taurus) 		PF00962
(A_deaminase) 		10 HIS A  14
ASP A  16
PHE A  58
PHE A  62
MET A 152
ALA A 180
HIS A 211
HIS A 235
ASP A 292
ASP A 293
 PRH  A 401 ( 3.0A)
PRH  A 401 (-3.4A)
None
PRH  A 401 ( 4.4A)
PRH  A 401 (-4.1A)
PRH  A 401 ( 3.8A)
ZN  A 501 ( 3.4A)
PRH  A 401 (-4.0A)
PRH  A 401 ( 2.5A)
PRH  A 401 (-3.5A)
 0.65A 1a4lC-1krmA:
58.0		 1a4lC-1krmA:
84.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1krm ADENOSINE DEAMINASE

(Bos taurus) 		PF00962
(A_deaminase) 		5 HIS A  14
PHE A  62
MET A 152
ALA A 180
ASP A 293
 PRH  A 401 ( 3.0A)
PRH  A 401 ( 4.4A)
PRH  A 401 (-4.1A)
PRH  A 401 ( 3.8A)
PRH  A 401 (-3.5A)
 1.14A 1a4lC-1krmA:
58.0		 1a4lC-1krmA:
84.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1krm ADENOSINE DEAMINASE

(Bos taurus) 		PF00962
(A_deaminase) 		5 HIS A  14
PHE A 297
PHE A  58
HIS A  12
ASP A 293
 PRH  A 401 ( 3.0A)
None
None
ZN  A 501 ( 3.3A)
PRH  A 401 (-3.5A)
 1.27A 1a4lC-1krmA:
58.0		 1a4lC-1krmA:
84.81
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.
1p1m HYPOTHETICAL PROTEIN
TM0936

(Thermotoga
maritima) 		PF01979
(Amidohydro_1) 		6 HIS A  55
HIS A  57
HIS A 200
GLU A 203
HIS A 228
ASP A 279
 NI  A9001 (-3.3A)
NI  A9001 (-3.3A)
NI  A9001 (-3.4A)
None
None
NI  A9001 (-2.6A)
 0.54A 1a4lC-1p1mA:
21.4		 1a4lC-1p1mA:
25.11
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.
1r2f PROTEIN
(RIBONUCLEOTIDE
REDUCTASE R2)

(Salmonella
enterica) 		PF00268
(Ribonuc_red_sm) 		5 HIS A 101
PHE A 162
HIS A 195
GLU A 158
ASP A  67
 FE  A 400 (-3.4A)
FE  A 400 ( 4.7A)
FE  A 401 (-3.3A)
FE  A 401 (-1.7A)
FE  A 400 (-3.0A)
 1.22A 1a4lC-1r2fA:
undetectable		 1a4lC-1r2fA:
21.39
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.
1r3n BETA-ALANINE
SYNTHASE

(Lachancea
kluyveri) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		5 HIS A 421
PHE A 412
ALA A 395
GLU A 159
ASP A 125
 ZN  A 501 (-3.2A)
None
None
ZN  A 500 ( 3.9A)
ZN  A 501 ( 2.3A)
 1.19A 1a4lC-1r3nA:
undetectable		 1a4lC-1r3nA:
22.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1uio ADENOSINE DEAMINASE

(Mus musculus) 		PF00962
(A_deaminase) 		11 HIS A  15
HIS A  17
ASP A  19
PHE A  61
PHE A  65
MET A 155
ALA A 183
HIS A 214
GLU A 217
ASP A 295
ASP A 296
 ZN  A 400 (-3.4A)
HPR  A 353 ( 3.1A)
HPR  A 353 (-2.7A)
HPR  A 353 (-4.6A)
HPR  A 353 (-3.9A)
HPR  A 353 (-4.1A)
HPR  A 353 (-3.2A)
ZN  A 400 ( 3.3A)
HPR  A 353 (-2.7A)
HPR  A 353 ( 2.5A)
HPR  A 353 (-2.6A)
 0.31A 1a4lC-1uioA:
63.0		 1a4lC-1uioA:
99.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1uio ADENOSINE DEAMINASE

(Mus musculus) 		PF00962
(A_deaminase) 		5 HIS A  17
MET A 155
ALA A 183
HIS A 214
ASP A 296
 HPR  A 353 ( 3.1A)
HPR  A 353 (-4.1A)
HPR  A 353 (-3.2A)
ZN  A 400 ( 3.3A)
HPR  A 353 (-2.6A)
 1.29A 1a4lC-1uioA:
63.0		 1a4lC-1uioA:
99.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1uio ADENOSINE DEAMINASE

(Mus musculus) 		PF00962
(A_deaminase) 		5 HIS A  17
PHE A  65
MET A 155
ALA A 183
ASP A 296
 HPR  A 353 ( 3.1A)
HPR  A 353 (-3.9A)
HPR  A 353 (-4.1A)
HPR  A 353 (-3.2A)
HPR  A 353 (-2.6A)
 1.14A 1a4lC-1uioA:
63.0		 1a4lC-1uioA:
99.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1uio ADENOSINE DEAMINASE

(Mus musculus) 		PF00962
(A_deaminase) 		7 PHE A  61
PHE A  65
MET A 155
ALA A 183
HIS A  15
ASP A 295
ASP A 296
 HPR  A 353 (-4.6A)
HPR  A 353 (-3.9A)
HPR  A 353 (-4.1A)
HPR  A 353 (-3.2A)
ZN  A 400 (-3.4A)
HPR  A 353 ( 2.5A)
HPR  A 353 (-2.6A)
 1.47A 1a4lC-1uioA:
63.0		 1a4lC-1uioA:
99.71
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.
1wkm METHIONINE
AMINOPEPTIDASE

(Pyrococcus
furiosus) 		PF00557
(Peptidase_M24) 		5 PHE A  50
ALA A 185
HIS A 153
HIS A 161
ASP A  82
 MET  A1298 (-3.8A)
MN  A 296 ( 3.9A)
MN  A 296 ( 3.3A)
MET  A1298 (-4.0A)
MN  A 297 ( 1.7A)
 1.21A 1a4lC-1wkmA:
undetectable		 1a4lC-1wkmA:
22.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2a3l AMP DEAMINASE

(Arabidopsis
thaliana) 		PF00962
(A_deaminase) 		7 HIS A 391
HIS A 393
HIS A 659
GLU A 662
HIS A 681
ASP A 736
ASP A 737
 ZN  A 840 ( 3.2A)
ZN  A 840 ( 3.2A)
ZN  A 840 ( 3.1A)
CF5  A 841 (-2.6A)
CF5  A 841 (-4.2A)
CF5  A 841 ( 2.5A)
CF5  A 841 (-2.5A)
 0.72A 1a4lC-2a3lA:
20.8		 1a4lC-2a3lA:
18.10
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.
2adu METHIONINE
AMINOPEPTIDASE 2

(Homo sapiens) 		PF00557
(Peptidase_M24) 		5 PHE A 219
ALA A 362
HIS A 331
HIS A 339
ASP A 251
 R20  A 906 ( 3.8A)
CO  A 502 ( 3.8A)
CO  A 502 ( 3.2A)
R20  A 906 (-4.0A)
CO  A 501 ( 1.9A)
 1.21A 1a4lC-2aduA:
undetectable		 1a4lC-2aduA:
22.28
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.
2amx ADENOSINE DEAMINASE

(Plasmodium
yoelii) 		PF00962
(A_deaminase) 		9 HIS A  55
HIS A  57
ASP A  59
PHE A 101
HIS A 239
GLU A 242
HIS A 266
ASP A 323
ASP A 324
 CO  A1000 (-3.3A)
CO  A1000 (-3.2A)
None
UNX  A2004 ( 4.8A)
CO  A1000 (-3.4A)
UNX  A2004 ( 4.8A)
None
CO  A1000 (-2.7A)
None
 0.64A 1a4lC-2amxA:
39.8		 1a4lC-2amxA:
25.86
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.
2amx ADENOSINE DEAMINASE

(Plasmodium
yoelii) 		PF00962
(A_deaminase) 		5 HIS A  55
PHE A 328
PHE A 101
HIS A 266
ASP A 324
 CO  A1000 (-3.3A)
None
UNX  A2004 ( 4.8A)
None
None
 0.97A 1a4lC-2amxA:
39.8		 1a4lC-2amxA:
25.86
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.
2amx ADENOSINE DEAMINASE

(Plasmodium
yoelii) 		PF00962
(A_deaminase) 		5 HIS A 239
ASP A  59
HIS A  55
GLU A 288
ASP A 211
 CO  A1000 (-3.4A)
None
CO  A1000 (-3.3A)
None
None
 1.30A 1a4lC-2amxA:
39.8		 1a4lC-2amxA:
25.86
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.
2bb0 IMIDAZOLONEPROPIONAS
E

(Bacillus
subtilis) 		PF01979
(Amidohydro_1) 		5 HIS A  80
HIS A  82
HIS A 249
GLU A 252
ASP A 324
 ZN  A1601 (-3.4A)
ZN  A1601 (-3.4A)
ZN  A1601 (-3.4A)
None
ZN  A1601 (-2.8A)
 0.67A 1a4lC-2bb0A:
20.4		 1a4lC-2bb0A:
21.04
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.
2i9u CYTOSINE/GUANINE
DEAMINASE RELATED
PROTEIN

(Clostridium
acetobutylicum) 		PF01979
(Amidohydro_1) 		6 HIS A  73
HIS A  75
HIS A 229
GLU A 232
HIS A 269
ASP A 320
 FE  A 501 (-3.4A)
FE  A 501 ( 3.6A)
GUN  A 503 ( 3.5A)
GUN  A 503 (-3.1A)
GUN  A 503 ( 4.4A)
FE  A 501 ( 2.7A)
 0.58A 1a4lC-2i9uA:
21.6		 1a4lC-2i9uA:
24.35
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.
2imr HYPOTHETICAL PROTEIN
DR_0824

(Deinococcus
radiodurans) 		PF01979
(Amidohydro_1) 		6 HIS A  97
HIS A  99
HIS A 238
GLU A 241
HIS A 301
ASP A 352
 ZN  A 500 (-3.3A)
ZN  A 500 (-3.2A)
ZN  A 500 (-3.2A)
None
None
ZN  A 500 (-3.9A)
 0.50A 1a4lC-2imrA:
17.8		 1a4lC-2imrA:
22.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2imr HYPOTHETICAL PROTEIN
DR_0824

(Deinococcus
radiodurans) 		PF01979
(Amidohydro_1) 		6 HIS A  97
HIS A  99
PHE A 113
HIS A 238
HIS A 301
ASP A 352
 ZN  A 500 (-3.3A)
ZN  A 500 (-3.2A)
None
ZN  A 500 (-3.2A)
None
ZN  A 500 (-3.9A)
 0.86A 1a4lC-2imrA:
17.8		 1a4lC-2imrA:
22.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2imr HYPOTHETICAL PROTEIN
DR_0824

(Deinococcus
radiodurans) 		PF01979
(Amidohydro_1) 		6 HIS A  97
PHE A 107
HIS A 238
GLU A 241
HIS A 301
ASP A 352
 ZN  A 500 (-3.3A)
None
ZN  A 500 (-3.2A)
None
None
ZN  A 500 (-3.9A)
 0.87A 1a4lC-2imrA:
17.8		 1a4lC-2imrA:
22.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ood BLR3880 PROTEIN

(Bradyrhizobium
diazoefficiens) 		PF01979
(Amidohydro_1) 		6 HIS A  79
HIS A  81
HIS A 234
GLU A 237
HIS A 273
ASP A 326
 ZN  A 500 ( 3.3A)
ZN  A 500 ( 3.3A)
GUN  A 600 ( 2.8A)
GUN  A 600 (-2.8A)
GUN  A 600 (-3.9A)
GUN  A 600 ( 2.5A)
 0.45A 1a4lC-2oodA:
21.3		 1a4lC-2oodA:
21.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pok PEPTIDASE,
M20/M25/M40 FAMILY

(Streptococcus
pneumoniae) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		5 HIS A 431
GLU A 157
HIS A  90
ASP A 123
ASP A 430
 None
MN  A 460 ( 3.8A)
MN  A 460 (-3.7A)
MN  A 460 (-2.6A)
None
 1.31A 1a4lC-2pokA:
undetectable		 1a4lC-2pokA:
21.76
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.
2pok PEPTIDASE,
M20/M25/M40 FAMILY

(Streptococcus
pneumoniae) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		5 HIS A 431
GLU A 184
HIS A  90
ASP A 123
ASP A 430
 None
MN  A 460 (-2.3A)
MN  A 460 (-3.7A)
MN  A 460 (-2.6A)
None
 1.15A 1a4lC-2pokA:
undetectable		 1a4lC-2pokA:
21.76
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.
2puz IMIDAZOLONEPROPIONAS
E

(Agrobacterium
fabrum) 		PF01979
(Amidohydro_1) 		5 HIS A  86
HIS A  88
HIS A 256
HIS A 279
ASP A 331
 FE  A 500 (-3.3A)
FE  A 500 (-3.3A)
FE  A 500 (-3.6A)
None
FE  A 500 (-2.8A)
 0.54A 1a4lC-2puzA:
19.1		 1a4lC-2puzA:
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.
2puz IMIDAZOLONEPROPIONAS
E

(Agrobacterium
fabrum) 		PF01979
(Amidohydro_1) 		5 HIS A  86
HIS A 279
PHE A 228
ALA A 304
HIS A  88
 FE  A 500 (-3.3A)
None
None
None
FE  A 500 (-3.3A)
 1.24A 1a4lC-2puzA:
19.1		 1a4lC-2puzA:
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.
2q09 IMIDAZOLONEPROPIONAS
E

(unidentified) 		PF01979
(Amidohydro_1) 		5 HIS A  72
HIS A  74
HIS A 242
HIS A 265
ASP A 317
 FE  A 500 (-3.4A)
FE  A 500 (-3.2A)
FE  A 500 ( 3.5A)
DI6  A 600 ( 4.7A)
FE  A 500 (-2.9A)
 0.55A 1a4lC-2q09A:
19.8		 1a4lC-2q09A:
23.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qt3 N-ISOPROPYLAMMELIDE
ISOPROPYL
AMIDOHYDROLASE

(Pseudomonas sp.
ADP) 		PF01979
(Amidohydro_1) 		6 HIS A  60
HIS A  62
ASP A  64
HIS A 217
HIS A 249
ASP A 303
 ZN  A 501 (-3.3A)
ZN  A 501 (-3.3A)
None
ZN  A 501 (-3.5A)
None
ZN  A 501 (-3.2A)
 0.83A 1a4lC-2qt3A:
21.7		 1a4lC-2qt3A:
21.91
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.
2vhl N-ACETYLGLUCOSAMINE-
6-PHOSPHATE
DEACETYLASE

(Bacillus
subtilis) 		PF01979
(Amidohydro_1) 		5 HIS A  63
HIS A  65
ASP A  71
HIS A 223
ASP A 281
 FE  A1397 (-3.3A)
FE  A1397 (-3.3A)
None
FE  A1398 (-3.3A)
FE  A1397 ( 2.7A)
 0.81A 1a4lC-2vhlA:
14.5		 1a4lC-2vhlA:
21.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2z4g HISTIDINOL
PHOSPHATASE

(Thermus
thermophilus) 		PF02811
(PHP)
PF13263
(PHP_C) 		5 HIS A   7
HIS A  38
ASP A  46
HIS A 226
ASP A  37
 FE  A 503 (-3.4A)
ZN  A 501 (-3.2A)
None
ZN  A 501 (-3.3A)
None
 1.30A 1a4lC-2z4gA:
9.5		 1a4lC-2z4gA:
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.
3bu7 GENTISATE
1,2-DIOXYGENASE

(Ruegeria
pomeroyi) 		PF07883
(Cupin_2) 		5 HIS A 160
PHE A 104
ALA A 123
HIS A 121
HIS A 119
 FE2  A 400 (-3.4A)
None
None
FE2  A 400 (-3.4A)
FE2  A 400 (-3.6A)
 1.13A 1a4lC-3bu7A:
undetectable		 1a4lC-3bu7A:
22.97
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.
3dcp HISTIDINOL-PHOSPHATA
SE

(Listeria
monocytogenes) 		PF02811
(PHP)
PF13263
(PHP_C) 		5 HIS A  40
HIS A 260
ASP A 264
HIS A 123
ASP A 258
 ZN  A 301 (-3.5A)
ZN  A 301 (-3.4A)
None
FE  A 310 (-3.3A)
FE  A 311 (-2.6A)
 1.15A 1a4lC-3dcpA:
9.1		 1a4lC-3dcpA:
23.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3e0l GUANINE DEAMINASE

(Homo sapiens) 		PF01979
(Amidohydro_1) 		6 HIS A  82
HIS A  84
HIS A 238
GLU A 241
HIS A 277
ASP A 328
 ZN  A1452 (-3.3A)
ZN  A1452 (-3.1A)
ZN  A1452 (-3.2A)
None
None
ZN  A1452 (-2.8A)
 0.56A 1a4lC-3e0lA:
21.3		 1a4lC-3e0lA:
23.52
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.
3ewd ADENOSINE DEAMINASE

(Plasmodium
vivax) 		PF00962
(A_deaminase) 		9 HIS A  42
HIS A  44
ASP A  46
PHE A  88
HIS A 225
GLU A 228
HIS A 252
ASP A 309
ASP A 310
 ZN  A 371 (-3.3A)
MCF  A 372 ( 3.3A)
MCF  A 372 (-3.5A)
MCF  A 372 (-4.5A)
ZN  A 371 ( 3.4A)
MCF  A 372 (-2.8A)
MCF  A 372 (-4.1A)
MCF  A 372 ( 2.4A)
MCF  A 372 (-2.9A)
 0.51A 1a4lC-3ewdA:
42.3		 1a4lC-3ewdA:
26.70
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.
3ewd ADENOSINE DEAMINASE

(Plasmodium
vivax) 		PF00962
(A_deaminase) 		5 HIS A 225
ASP A  46
HIS A  42
GLU A 274
ASP A 197
 ZN  A 371 ( 3.4A)
MCF  A 372 (-3.5A)
ZN  A 371 (-3.3A)
None
None
 1.29A 1a4lC-3ewdA:
42.3		 1a4lC-3ewdA:
26.70
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.
3g77 CYTOSINE DEAMINASE

(Escherichia
coli) 		PF07969
(Amidohydro_3) 		7 HIS A  61
HIS A  63
ASP A  65
HIS A 214
GLU A 217
HIS A 246
ASP A 313
 FE  A 502 (-3.1A)
FE  A 502 (-3.1A)
None
FE  A 502 (-3.6A)
None
FE  A 502 ( 4.8A)
FE  A 502 (-3.2A)
 0.69A 1a4lC-3g77A:
23.2		 1a4lC-3g77A:
21.04
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.
3hc1 UNCHARACTERIZED HDOD
DOMAIN PROTEIN

(Geobacter
sulfurreducens) 		PF08668
(HDOD) 		5 HIS A 216
HIS A 192
PHE A 166
HIS A 217
ASP A 152
 FE  A 305 (-3.4A)
FE  A 305 (-3.5A)
None
FE  A 305 (-3.3A)
FE  A 306 ( 2.5A)
 1.24A 1a4lC-3hc1A:
undetectable		 1a4lC-3hc1A:
22.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hc1 UNCHARACTERIZED HDOD
DOMAIN PROTEIN

(Geobacter
sulfurreducens) 		PF08668
(HDOD) 		5 HIS A 216
HIS A 192
PHE A 247
HIS A 217
ASP A 152
 FE  A 305 (-3.4A)
FE  A 305 (-3.5A)
None
FE  A 305 (-3.3A)
FE  A 306 ( 2.5A)
 1.00A 1a4lC-3hc1A:
undetectable		 1a4lC-3hc1A:
22.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hpa AMIDOHYDROLASE

(unidentified) 		PF01979
(Amidohydro_1) 		6 HIS A  93
HIS A  95
HIS A 259
GLU A 262
HIS A 296
ASP A 347
 ZN  A 480 (-3.3A)
ZN  A 480 (-3.3A)
ZN  A 480 (-3.5A)
None
ZN  A 480 ( 4.8A)
ZN  A 480 (-3.2A)
 0.92A 1a4lC-3hpaA:
22.7		 1a4lC-3hpaA:
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.
3icj UNCHARACTERIZED
METAL-DEPENDENT
HYDROLASE

(Pyrococcus
furiosus) 		PF07969
(Amidohydro_3) 		5 HIS A  99
HIS A 101
ASP A 103
HIS A 371
ASP A 432
 ZN  A 601 (-3.5A)
ZN  A 601 (-3.5A)
None
ZN  A 602 (-3.5A)
ZN  A 601 (-2.6A)
 0.93A 1a4lC-3icjA:
17.9		 1a4lC-3icjA:
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.
3igh UNCHARACTERIZED
METAL-DEPENDENT
HYDROLASE

(Pyrococcus
horikoshii) 		PF07969
(Amidohydro_3) 		5 HIS X  83
HIS X  85
ASP X  87
HIS X 355
ASP X 416
 SO4  X   1 (-4.2A)
SO4  X   1 (-4.0A)
None
SO4  X   1 (-4.0A)
SO4  X   1 (-3.0A)
 1.00A 1a4lC-3ighX:
17.6		 1a4lC-3ighX:
24.37
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.
3lgg ADENOSINE DEAMINASE
CECR1

(Homo sapiens) 		PF00962
(A_deaminase)
PF08451
(A_deaminase_N) 		8 HIS A  86
HIS A  88
ASP A  89
HIS A 330
GLU A 333
HIS A 358
ASP A 415
ASP A 416
 ZN  A 512 (-3.4A)
CFE  A 513 ( 3.3A)
CFE  A 513 (-3.0A)
ZN  A 512 ( 3.5A)
CFE  A 513 (-3.0A)
CFE  A 513 ( 4.3A)
CFE  A 513 ( 2.8A)
CFE  A 513 (-2.8A)
 0.82A 1a4lC-3lggA:
33.7		 1a4lC-3lggA:
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.
3lgg ADENOSINE DEAMINASE
CECR1

(Homo sapiens) 		PF00962
(A_deaminase)
PF08451
(A_deaminase_N) 		6 HIS A  86
HIS A  88
PHE A 181
HIS A 330
ASP A 415
ASP A 416
 ZN  A 512 (-3.4A)
CFE  A 513 ( 3.3A)
CFE  A 513 (-4.8A)
ZN  A 512 ( 3.5A)
CFE  A 513 ( 2.8A)
CFE  A 513 (-2.8A)
 1.17A 1a4lC-3lggA:
33.7		 1a4lC-3lggA:
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.
3lgg ADENOSINE DEAMINASE
CECR1

(Homo sapiens) 		PF00962
(A_deaminase)
PF08451
(A_deaminase_N) 		9 HIS A  86
HIS A  88
PHE A 181
PHE A 185
HIS A 330
GLU A 333
HIS A 358
ASP A 415
ASP A 416
 ZN  A 512 (-3.4A)
CFE  A 513 ( 3.3A)
CFE  A 513 (-4.8A)
CFE  A 513 ( 3.7A)
ZN  A 512 ( 3.5A)
CFE  A 513 (-3.0A)
CFE  A 513 ( 4.3A)
CFE  A 513 ( 2.8A)
CFE  A 513 (-2.8A)
 0.59A 1a4lC-3lggA:
33.7		 1a4lC-3lggA:
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.
3lgg ADENOSINE DEAMINASE
CECR1

(Homo sapiens) 		PF00962
(A_deaminase)
PF08451
(A_deaminase_N) 		6 HIS A  86
PHE A 420
PHE A 181
HIS A 358
ASP A 415
ASP A 416
 ZN  A 512 (-3.4A)
None
CFE  A 513 (-4.8A)
CFE  A 513 ( 4.3A)
CFE  A 513 ( 2.8A)
CFE  A 513 (-2.8A)
 1.28A 1a4lC-3lggA:
33.7		 1a4lC-3lggA:
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.
3lnp AMIDOHYDROLASE
FAMILY PROTEIN
OLEI01672_1_465

(Oleispira
antarctica) 		PF01979
(Amidohydro_1) 		6 HIS A  88
HIS A  90
HIS A 243
GLU A 246
HIS A 280
ASP A 331
 CA  A 471 (-3.6A)
CA  A 471 (-3.6A)
CA  A 471 (-4.7A)
None
None
CA  A 471 (-2.7A)
 0.86A 1a4lC-3lnpA:
20.6		 1a4lC-3lnpA:
19.96
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.
3mdu N-FORMIMINO-L-GLUTAM
ATE IMINOHYDROLASE

(Pseudomonas
aeruginosa) 		PF01979
(Amidohydro_1) 		6 HIS A  56
HIS A  58
HIS A 232
GLU A 235
HIS A 269
ASP A 320
 ZN  A 454 (-3.3A)
ZN  A 454 ( 3.2A)
ZN  A 454 (-3.3A)
NGQ  A 455 (-2.9A)
None
ZN  A 454 (-2.9A)
 0.53A 1a4lC-3mduA:
21.4		 1a4lC-3mduA:
21.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mdu N-FORMIMINO-L-GLUTAM
ATE IMINOHYDROLASE

(Pseudomonas
aeruginosa) 		PF01979
(Amidohydro_1) 		6 HIS A  56
HIS A  58
PHE A  60
HIS A 232
HIS A 269
ASP A 320
 ZN  A 454 (-3.3A)
ZN  A 454 ( 3.2A)
None
ZN  A 454 (-3.3A)
None
ZN  A 454 (-2.9A)
 1.33A 1a4lC-3mduA:
21.4		 1a4lC-3mduA:
21.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3pao ADENOSINE DEAMINASE

(Pseudomonas
aeruginosa) 		PF00962
(A_deaminase) 		7 HIS A  16
HIS A  18
ASP A 100
PHE A  59
GLU A 199
HIS A 220
ASP A 277
 ZN  A 327 (-3.4A)
ADE  A 328 ( 3.0A)
None
None
ADE  A 328 (-3.0A)
ADE  A 328 ( 4.2A)
ZN  A 327 ( 2.6A)
 1.31A 1a4lC-3paoA:
39.5		 1a4lC-3paoA:
30.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3pao ADENOSINE DEAMINASE

(Pseudomonas
aeruginosa) 		PF00962
(A_deaminase) 		8 HIS A  16
HIS A  18
PHE A  59
HIS A 196
GLU A 199
HIS A 220
ASP A 277
ASP A 278
 ZN  A 327 (-3.4A)
ADE  A 328 ( 3.0A)
None
ZN  A 327 ( 3.5A)
ADE  A 328 (-3.0A)
ADE  A 328 ( 4.2A)
ZN  A 327 ( 2.6A)
ADE  A 328 (-2.8A)
 0.54A 1a4lC-3paoA:
39.5		 1a4lC-3paoA:
30.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3pao ADENOSINE DEAMINASE

(Pseudomonas
aeruginosa) 		PF00962
(A_deaminase) 		5 HIS A  16
PHE A 282
PHE A  59
HIS A 220
ASP A 278
 ZN  A 327 (-3.4A)
None
None
ADE  A 328 ( 4.2A)
ADE  A 328 (-2.8A)
 1.05A 1a4lC-3paoA:
39.5		 1a4lC-3paoA:
30.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3pao ADENOSINE DEAMINASE

(Pseudomonas
aeruginosa) 		PF00962
(A_deaminase) 		5 HIS A 196
HIS A 220
PHE A 282
HIS A  16
HIS A  18
 ZN  A 327 ( 3.5A)
ADE  A 328 ( 4.2A)
None
ZN  A 327 (-3.4A)
ADE  A 328 ( 3.0A)
 1.22A 1a4lC-3paoA:
39.5		 1a4lC-3paoA:
30.03
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.
3rys ADENOSINE DEAMINASE
1

(Paenarthrobacter
aurescens) 		PF00962
(A_deaminase) 		7 HIS A  19
HIS A  21
ASP A 103
PHE A  62
GLU A 202
HIS A 223
ASP A 280
 ZN  A 344 (-3.5A)
ADE  A 345 ( 3.2A)
None
None
ADE  A 345 (-2.8A)
ADE  A 345 ( 4.2A)
ZN  A 344 ( 2.5A)
 1.29A 1a4lC-3rysA:
40.8		 1a4lC-3rysA:
29.17
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.
3rys ADENOSINE DEAMINASE
1

(Paenarthrobacter
aurescens) 		PF00962
(A_deaminase) 		8 HIS A  19
HIS A  21
PHE A  62
HIS A 199
GLU A 202
HIS A 223
ASP A 280
ASP A 281
 ZN  A 344 (-3.5A)
ADE  A 345 ( 3.2A)
None
ZN  A 344 ( 3.4A)
ADE  A 345 (-2.8A)
ADE  A 345 ( 4.2A)
ZN  A 344 ( 2.5A)
ADE  A 345 (-2.8A)
 0.51A 1a4lC-3rysA:
40.8		 1a4lC-3rysA:
29.17
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.
3rys ADENOSINE DEAMINASE
1

(Paenarthrobacter
aurescens) 		PF00962
(A_deaminase) 		5 HIS A  19
PHE A 285
PHE A  62
HIS A 223
ASP A 281
 ZN  A 344 (-3.5A)
None
None
ADE  A 345 ( 4.2A)
ADE  A 345 (-2.8A)
 1.03A 1a4lC-3rysA:
40.8		 1a4lC-3rysA:
29.17
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.
3rys ADENOSINE DEAMINASE
1

(Paenarthrobacter
aurescens) 		PF00962
(A_deaminase) 		5 HIS A 199
HIS A 223
PHE A 285
HIS A  19
HIS A  21
 ZN  A 344 ( 3.4A)
ADE  A 345 ( 4.2A)
None
ZN  A 344 (-3.5A)
ADE  A 345 ( 3.2A)
 1.22A 1a4lC-3rysA:
40.8		 1a4lC-3rysA:
29.17
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.
3sfw DIHYDROPYRIMIDINASE

(Brevibacillus
agri) 		PF01979
(Amidohydro_1) 		5 HIS A  58
HIS A  60
MET A 125
HIS A 239
ASP A 315
 ZN  A 502 (-3.3A)
ZN  A 502 (-3.3A)
None
ZN  A 501 (-3.4A)
ZN  A 502 (-2.7A)
 1.27A 1a4lC-3sfwA:
15.7		 1a4lC-3sfwA:
20.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3t8l ADENINE DEAMINASE 2

(Agrobacterium
fabrum) 		PF01979
(Amidohydro_1)
PF13382
(Adenine_deam_C) 		6 HIS A  92
HIS A  94
GLU A 240
HIS A 239
ASP A 289
ASP A 290
 UNX  A 608 ( 3.2A)
UNX  A 608 ( 3.4A)
UNX  A 606 ( 3.0A)
UNX  A 606 ( 3.6A)
UNX  A 608 ( 2.4A)
None
 1.07A 1a4lC-3t8lA:
16.7		 1a4lC-3t8lA:
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.
3v7p AMIDOHYDROLASE
FAMILY PROTEIN

(Nitratiruptor
sp. SB155-2) 		PF01979
(Amidohydro_1) 		6 HIS A  61
HIS A  63
HIS A 206
GLU A 209
HIS A 257
ASP A 306
 FE  A 429 (-3.2A)
FE  A 429 (-3.2A)
FE  A 429 (-3.3A)
UNL  A 436 ( 2.8A)
None
FE  A 429 (-3.1A)
 0.44A 1a4lC-3v7pA:
20.0		 1a4lC-3v7pA:
22.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3we7 PUTATIVE
UNCHARACTERIZED
PROTEIN PH0499

(Pyrococcus
horikoshii) 		PF02585
(PIG-L) 		5 HIS A  44
PHE A 224
HIS A 155
ASP A  47
ASP A  46
 ZN  A 301 (-3.2A)
None
ZN  A 301 ( 3.3A)
ZN  A 301 ( 2.1A)
ACY  A 303 (-3.0A)
 1.06A 1a4lC-3we7A:
undetectable		 1a4lC-3we7A:
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.
3wl4 UNCHARACTERIZED
PROTEIN

(Pyrococcus
furiosus) 		PF02585
(PIG-L) 		5 HIS A  40
PHE A 219
HIS A 151
ASP A  43
ASP A  42
 CD  A 301 ( 3.4A)
HEZ  A 315 ( 4.4A)
CD  A 301 ( 3.5A)
CD  A 301 ( 2.1A)
TAM  A 309 (-2.7A)
 1.04A 1a4lC-3wl4A:
undetectable		 1a4lC-3wl4A:
21.81
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.
4bhi GAMMA-BUTYROBETAINE
DIOXYGENASE

(Homo sapiens) 		PF02668
(TauD)
PF06155
(DUF971) 		5 HIS A 202
ASP A 261
ALA A 193
HIS A 347
ASP A 204
 ZN  A 402 ( 3.3A)
RUJ  A 401 ( 4.7A)
OGA  A 400 (-3.1A)
ZN  A 402 ( 3.3A)
ZN  A 402 (-2.6A)
 1.25A 1a4lC-4bhiA:
undetectable		 1a4lC-4bhiA:
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.
4bif CUPIN 2 CONSERVED
BARREL DOMAIN
PROTEIN

(Granulicella
tundricola) 		PF07883
(Cupin_2) 		5 HIS A  55
HIS A  96
PHE A  19
PHE A  44
ALA A 108
 MN  A1132 (-3.4A)
MN  A1132 (-3.4A)
None
None
None
 1.21A 1a4lC-4bifA:
undetectable		 1a4lC-4bifA:
17.87
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.
4dyk AMIDOHYDROLASE

(Pseudomonas
aeruginosa) 		PF01979
(Amidohydro_1) 		6 HIS A  72
HIS A  74
HIS A 221
GLU A 224
HIS A 258
ASP A 309
 ZN  A 501 (-3.3A)
ZN  A 501 (-3.2A)
ZN  A 501 (-3.3A)
None
None
ZN  A 501 (-2.6A)
 0.48A 1a4lC-4dykA:
21.1		 1a4lC-4dykA:
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.
4dzh AMIDOHYDROLASE

(Xanthomonas
campestris) 		PF01979
(Amidohydro_1) 		6 HIS A  78
HIS A  80
HIS A 227
GLU A 230
HIS A 264
ASP A 315
 ZN  A 504 (-3.3A)
ZN  A 504 (-3.1A)
ZN  A 504 (-3.3A)
ZN  A 505 ( 4.2A)
ZN  A 505 ( 4.8A)
ZN  A 505 ( 2.0A)
 0.50A 1a4lC-4dzhA:
20.6		 1a4lC-4dzhA:
19.88
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.
4ewl 1D-MYO-INOSITOL
2-ACETAMIDO-2-DEOXY-
ALPHA-D-GLUCOPYRANOS
IDE DEACETYLASE

(Mycobacterium
tuberculosis) 		PF02585
(PIG-L) 		5 HIS A  13
HIS A 144
HIS A 147
ASP A  16
ASP A  15
 ZN  A 403 (-3.1A)
GOL  A 405 (-4.0A)
ZN  A 403 ( 3.3A)
ZN  A 403 ( 1.9A)
ACT  A 404 (-3.0A)
 1.28A 1a4lC-4ewlA:
undetectable		 1a4lC-4ewlA:
20.74
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.
4f0l AMIDOHYDROLASE

(Brucella
abortus) 		PF01979
(Amidohydro_1) 		6 HIS A  61
HIS A  63
HIS A 237
GLU A 240
HIS A 274
ASP A 325
 FE  A 501 (-3.4A)
FE  A 501 (-3.4A)
FE  A 501 (-3.5A)
None
None
FE  A 501 (-2.8A)
 0.57A 1a4lC-4f0lA:
20.0		 1a4lC-4f0lA:
21.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4f0s 5-METHYLTHIOADENOSIN
E/S-ADENOSYLHOMOCYST
EINE DEAMINASE

(Chromobacterium
violaceum) 		PF01979
(Amidohydro_1) 		6 HIS A  70
HIS A  72
HIS A 219
GLU A 222
HIS A 256
ASP A 307
 None
NOS  A 501 (-3.7A)
NOS  A 501 (-3.5A)
NOS  A 501 (-3.0A)
NOS  A 501 (-4.0A)
NOS  A 501 (-2.8A)
 0.47A 1a4lC-4f0sA:
21.5		 1a4lC-4f0sA:
20.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gxw ADENOSINE DEAMINASE

(Burkholderia
ambifaria) 		PF00962
(A_deaminase) 		7 HIS A  34
HIS A  36
HIS A 215
GLU A 218
HIS A 240
ASP A 300
ASP A 301
 ZN  A 401 (-3.4A)
ZN  A 401 (-3.3A)
ZN  A 401 (-3.4A)
None
None
ZN  A 401 (-2.6A)
None
 0.51A 1a4lC-4gxwA:
39.5		 1a4lC-4gxwA:
26.97
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.
4hjw URACIL-5-CARBOXYLATE
DECARBOXYLASE

(Metarhizium
anisopliae) 		PF04909
(Amidohydro_2) 		5 HIS A  12
HIS A  14
HIS A 195
HIS A 251
ASP A 323
 ZN  A 401 (-3.6A)
ZN  A 401 (-3.5A)
ZN  A 401 (-3.5A)
None
ZN  A 401 (-2.8A)
 0.86A 1a4lC-4hjwA:
14.0		 1a4lC-4hjwA:
22.52
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.
4ifr 2-AMINO-3-CARBOXYMUC
ONATE 6-SEMIALDEHYDE
DECARBOXYLASE

(Pseudomonas
fluorescens) 		PF04909
(Amidohydro_2) 		5 HIS A   9
HIS A  11
HIS A 177
HIS A 228
ASP A 294
 ZN  A 401 (-3.5A)
ZN  A 401 (-3.4A)
ZN  A 401 (-3.6A)
ZN  A 401 ( 4.7A)
ZN  A 401 (-2.8A)
 0.79A 1a4lC-4ifrA:
13.5		 1a4lC-4ifrA:
23.04
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.
4igm 2-AMINO-3-CARBOXYMUC
ONATE-6-SEMIALDEHYDE
DECARBOXYLASE

(Homo sapiens) 		PF04909
(Amidohydro_2) 		5 HIS A   6
HIS A   8
HIS A 174
HIS A 224
ASP A 291
 ZN  A 401 (-3.4A)
ZN  A 401 (-3.5A)
ZN  A 401 (-3.3A)
None
ZN  A 401 (-3.0A)
 0.90A 1a4lC-4igmA:
13.5		 1a4lC-4igmA:
21.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4lan URACIL-5-CARBOXYLATE
DECARBOXYLASE

(Cordyceps
militaris) 		PF04909
(Amidohydro_2) 		5 HIS A  12
HIS A  14
ALA A 195
HIS A 251
ASP A 323
 ZN  A 401 (-4.1A)
ZN  A 401 (-4.0A)
ZN  A 401 ( 4.7A)
None
ZN  A 401 (-3.4A)
 1.02A 1a4lC-4lanA:
13.8		 1a4lC-4lanA:
23.02
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.
4q7a N-ACETYL-ORNITHINE/N
-ACETYL-LYSINE
DEACETYLASE

(Sphaerobacter
thermophilus) 		PF01546
(Peptidase_M20) 		5 HIS A 329
GLU A 126
HIS A  71
ASP A  95
ASP A 328
 None
None
None
None
SO4  A 401 ( 4.6A)
 1.28A 1a4lC-4q7aA:
undetectable		 1a4lC-4q7aA:
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.
4r85 CYTOSINE DEAMINASE

(Klebsiella
pneumoniae) 		PF07969
(Amidohydro_3) 		7 HIS A  56
HIS A  58
ASP A  60
HIS A 209
GLU A 212
HIS A 241
ASP A 308
 FE2  A 502 (-3.4A)
FE2  A 502 ( 3.5A)
None
FE2  A 502 ( 3.4A)
17E  A 501 (-2.9A)
FE2  A 502 ( 3.7A)
FE2  A 502 ( 2.8A)
 0.85A 1a4lC-4r85A:
22.7		 1a4lC-4r85A:
20.97
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.
4v1y ATRAZINE
CHLOROHYDROLASE

(Pseudomonas sp.
ADP) 		PF01979
(Amidohydro_1) 		6 HIS A  66
HIS A  68
HIS A 243
GLU A 246
HIS A 276
ASP A 327
 FE  A 481 (-3.9A)
FE  A 481 (-3.9A)
FE  A 481 (-4.1A)
FE  A 481 ( 4.3A)
FE  A 481 (-3.9A)
FE  A 481 (-2.8A)
 0.61A 1a4lC-4v1yA:
22.0		 1a4lC-4v1yA:
20.78
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.
4v1y ATRAZINE
CHLOROHYDROLASE

(Pseudomonas sp.
ADP) 		PF01979
(Amidohydro_1) 		5 HIS A  66
HIS A 243
PHE A 157
HIS A  68
GLU A 125
 FE  A 481 (-3.9A)
FE  A 481 (-4.1A)
None
FE  A 481 (-3.9A)
None
 1.29A 1a4lC-4v1yA:
22.0		 1a4lC-4v1yA:
20.78
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.
4x8i LYSYL AMINOPEPTIDASE

(Pyrococcus
furiosus) 		PF05343
(Peptidase_M42) 		5 HIS A 314
PHE A 233
GLU A 207
HIS A  63
ASP A 177
 CO  A 402 (-3.5A)
None
CL  A 403 ( 2.8A)
ZN  A 401 (-3.3A)
ZN  A 401 ( 2.6A)
 1.28A 1a4lC-4x8iA:
undetectable		 1a4lC-4x8iA:
21.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xpx BACTERIOHEMERYTHRIN

(Methylococcus
capsulatus) 		PF01814
(Hemerythrin) 		5 HIS A  77
PHE A  17
HIS A  81
HIS A 117
ASP A 122
 FE2  A 201 (-3.4A)
None
FE2  A 201 (-3.4A)
FE2  A 201 (-3.4A)
FE2  A 202 ( 2.6A)
 1.29A 1a4lC-4xpxA:
undetectable		 1a4lC-4xpxA:
17.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ymk ACYL-COA DESATURASE
1

(Mus musculus) 		PF00487
(FA_desaturase) 		5 HIS A 157
HIS A 116
ALA A 306
HIS A 297
HIS A 298
 ZN  A 401 (-3.3A)
ZN  A 401 ( 3.5A)
None
ZN  A 401 (-3.2A)
ZN  A 402 (-3.4A)
 1.03A 1a4lC-4ymkA:
undetectable		 1a4lC-4ymkA:
22.28
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.
4zr1 CERAMIDE VERY LONG
CHAIN FATTY ACID
HYDROXYLASE SCS7

(Saccharomyces
cerevisiae) 		PF04116
(FA_hydroxylase) 		5 HIS A 345
HIS A 326
ASP A 323
HIS A 349
HIS A 348
 ZN  A 401 (-3.4A)
ZN  A 401 (-3.5A)
None
ZN  A 401 (-3.2A)
ZN  A 402 (-3.3A)
 1.27A 1a4lC-4zr1A:
undetectable		 1a4lC-4zr1A:
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.
4zyo ACYL-COA DESATURASE

(Homo sapiens) 		no annotation 5 HIS A 161
HIS A 120
ALA A 310
HIS A 301
HIS A 302
 ZN  A 401 (-3.3A)
ZN  A 401 ( 3.3A)
None
ZN  A 401 (-3.4A)
ZN  A 402 (-3.5A)
 1.12A 1a4lC-4zyoA:
undetectable		 1a4lC-4zyoA:
22.37
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.
5aeb LRA-12

(uncultured
bacterium BLR12) 		PF00753
(Lactamase_B) 		5 HIS A 118
ASP A 153
PHE A 156
HIS A 263
ASP A 120
 ZN  A1308 (-3.0A)
None
None
ZN  A1307 (-3.2A)
ZN  A1307 (-2.5A)
 1.10A 1a4lC-5aebA:
undetectable		 1a4lC-5aebA:
21.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5aeb LRA-12

(uncultured
bacterium BLR12) 		PF00753
(Lactamase_B) 		5 HIS A 121
ASP A 153
PHE A 156
HIS A 263
ASP A 120
 ZN  A1307 (-3.1A)
None
None
ZN  A1307 (-3.2A)
ZN  A1307 (-2.5A)
 0.97A 1a4lC-5aebA:
undetectable		 1a4lC-5aebA:
21.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5flj QUERCETINASE QUED

(Streptomyces
sp. FLA) 		PF07883
(Cupin_2) 		5 HIS A 115
PHE A 141
PHE A  56
HIS A  71
HIS A  69
 NI  A 300 (-3.2A)
QUE  A 301 (-4.8A)
None
NI  A 300 ( 3.3A)
QUE  A 301 ( 3.0A)
 1.03A 1a4lC-5fljA:
undetectable		 1a4lC-5fljA:
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.
5g3f THERMUS THERMOPHILUS
MULTICOPPER OXIDASE

(Thermus
thermophilus) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 HIS A  97
HIS A  95
MET A 456
HIS A 396
ASP A 106
 CU  A1465 (-3.1A)
CU  A1463 (-4.1A)
None
CU  A1463 ( 4.8A)
None
 1.17A 1a4lC-5g3fA:
undetectable		 1a4lC-5g3fA:
23.01
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.
5h3h ABHYDROLASE
DOMAIN-CONTAINING
PROTEIN

(Exiguobacterium
antarcticum) 		PF00561
(Abhydrolase_1)
PF08386
(Abhydrolase_4) 		5 HIS A 216
HIS A 248
PHE A 160
ALA A 123
ASP A 220
 None
F50  A 301 (-4.0A)
None
None
None
 1.22A 1a4lC-5h3hA:
undetectable		 1a4lC-5h3hA:
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.
5hqn SPHINGOMYELIN
PHOSPHODIESTERASE

(Mus musculus) 		PF00149
(Metallophos) 		5 HIS A 206
HIS A 457
HIS A 280
HIS A 317
ASP A 276
 ZN  A 701 ( 3.3A)
ZN  A 701 ( 3.1A)
PO4  A 710 (-4.2A)
PO4  A 710 (-3.7A)
ZN  A 702 (-2.3A)
 1.31A 1a4lC-5hqnA:
undetectable		 1a4lC-5hqnA:
19.96
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.
5kja APOCAROTENOID-15,15'
-OXYGENASE

(Synechocystis
sp. PCC 6803) 		PF03055
(RPE65) 		5 HIS A 304
HIS A 484
HIS A 183
GLU A 150
HIS A 238
 FE2  A 502 (-3.8A)
FE2  A 502 (-4.0A)
FE2  A 502 (-4.0A)
None
FE2  A 502 (-4.5A)
 1.28A 1a4lC-5kjaA:
undetectable		 1a4lC-5kjaA:
21.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5n4l CERULOPLASMIN

(Rattus
norvegicus) 		no annotation 5 HIS A 974
HIS A1014
ALA A 165
HIS A 162
HIS A 101
 CU  A1101 ( 3.2A)
CU  A1101 (-3.2A)
None
CU  A1101 (-3.3A)
CU  A1105 (-3.1A)
 1.20A 1a4lC-5n4lA:
undetectable		 1a4lC-5n4lA:
12.39
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.
5o25 TMPDE

(Thermotoga
maritima) 		no annotation 5 HIS A 286
ALA A 123
HIS A 104
HIS A 105
ASP A  23
 PG4  A 403 ( 4.7A)
None
MN  A 402 (-3.5A)
PG4  A 403 (-4.5A)
MN  A 401 (-2.0A)
 1.15A 1a4lC-5o25A:
undetectable		 1a4lC-5o25A:
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.
5uyg PERIPLASMIC CHELATED
IRON-BINDING PROTEIN
YFEA

(Yersinia pestis) 		PF01297
(ZnuA) 		5 HIS A 141
HIS A  76
ASP A  77
GLU A 256
ASP A 282
 ZN  A 401 (-3.3A)
ZN  A 401 (-3.3A)
None
None
ZN  A 401 (-2.1A)
 1.08A 1a4lC-5uygA:
undetectable		 1a4lC-5uygA:
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.
5x7l TSRD

(Streptomyces
laurentii) 		no annotation 5 HIS A 117
PHE A  13
HIS A  35
ASP A 119
ASP A 105
 IPA  A 202 (-3.5A)
None
None
IPA  A 202 ( 4.8A)
IPA  A 202 (-2.9A)
 1.29A 1a4lC-5x7lA:
undetectable		 1a4lC-5x7lA:
13.78
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.
5xoy [LYSW]-LYSINE
HYDROLASE

(Thermus
thermophilus) 		PF01546
(Peptidase_M20) 		5 HIS A 326
GLU A 124
HIS A  67
ASP A  91
ASP A 325
 None
LYS  A 401 (-3.0A)
None
None
None
 1.12A 1a4lC-5xoyA:
undetectable		 1a4lC-5xoyA:
24.34
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.
6evg MULTI-COPPER OXIDASE
CUEO

(Ochrobactrum) 		no annotation 5 HIS A 489
HIS A  91
ASP A 102
HIS A 437
HIS A 491
 None
EDO  A 602 ( 4.5A)
EDO  A 602 (-3.4A)
None
None
 1.30A 1a4lC-6evgA:
undetectable		 1a4lC-6evgA:
16.06