SIMILAR PATTERNS OF AMINO ACIDS FOR 2PGR_A_DCFA501_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.
1eso CU, ZN SUPEROXIDE
DISMUTASE

(Escherichia
coli) 		PF00080
(Sod_Cu) 		5 HIS A 118
ASP A  54
GLY A  60
HIS A  46
HIS A  44
 CU  A 150 ( 3.2A)
None
None
CU  A 150 ( 3.3A)
CU  A 150 ( 3.2A)
 1.11A 2pgrA-1esoA:
undetectable		 2pgrA-1esoA:
16.85
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.
1eyw PHOSPHOTRIESTERASE

(Brevundimonas
diminuta) 		PF02126
(PTE) 		5 HIS A  55
HIS A  57
ILE A 106
HIS A 230
ASP A 301
 ZN  A 401 (-3.2A)
ZN  A 401 (-3.3A)
TEN  A 403 ( 4.6A)
ZN  A 402 (-3.3A)
ZN  A 401 ( 2.6A)
 0.88A 2pgrA-1eywA:
5.8		 2pgrA-1eywA:
21.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kcw CERULOPLASMIN

(Homo sapiens) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 HIS A 103
HIS A 161
ILE A 170
HIS A1022
HIS A 978
 CU  A1051 (-3.3A)
CU  A1051 (-3.3A)
None
CU  A1051 (-3.2A)
CU  A1052 ( 3.2A)
 0.97A 2pgrA-1kcwA:
undetectable		 2pgrA-1kcwA:
16.18
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.
1krm ADENOSINE DEAMINASE

(Bos taurus) 		PF00962
(A_deaminase) 		7 HIS A  12
HIS A  14
ASP A  16
GLY A 181
HIS A 211
HIS A 235
ASP A 293
 ZN  A 501 ( 3.3A)
PRH  A 401 ( 3.0A)
PRH  A 401 (-3.4A)
PRH  A 401 (-4.0A)
ZN  A 501 ( 3.4A)
PRH  A 401 (-4.0A)
PRH  A 401 (-3.5A)
 0.76A 2pgrA-1krmA:
40.5		 2pgrA-1krmA:
28.54
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.
1krm ADENOSINE DEAMINASE

(Bos taurus) 		PF00962
(A_deaminase) 		9 HIS A  12
HIS A  14
PHE A  58
GLY A 181
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 (-4.0A)
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)
 0.46A 2pgrA-1krmA:
40.5		 2pgrA-1krmA:
28.54
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.
1lme PEPTIDE DEFORMYLASE

(Thermotoga
maritima) 		PF01327
(Pep_deformylase) 		5 PHE A  90
ILE A  97
GLY A  86
HIS A 129
HIS A 133
 OCS  A  87 ( 4.4A)
None
OCS  A  87 ( 2.4A)
OCS  A  87 ( 3.9A)
OCS  A  87 ( 4.0A)
 1.17A 2pgrA-1lmeA:
undetectable		 2pgrA-1lmeA:
18.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1o99 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Geobacillus
stearothermophilus) 		PF01676
(Metalloenzyme)
PF06415
(iPGM_N) 		5 HIS A 407
GLY A  60
HIS A 462
ASP A 403
ASP A  12
 MN  A 601 ( 3.2A)
None
MN  A 601 ( 3.3A)
MN  A 601 ( 2.0A)
2PG  A 801 ( 4.5A)
 1.09A 2pgrA-1o99A:
undetectable		 2pgrA-1o99A:
20.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.46A 2pgrA-1p1mA:
21.4		 2pgrA-1p1mA:
24.66
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.
1p1m HYPOTHETICAL PROTEIN
TM0936

(Thermotoga
maritima) 		PF01979
(Amidohydro_1) 		5 HIS A 200
HIS A 228
GLY A 277
HIS A  55
HIS A  57
 NI  A9001 (-3.4A)
None
None
NI  A9001 (-3.3A)
NI  A9001 (-3.3A)
 1.17A 2pgrA-1p1mA:
21.4		 2pgrA-1p1mA:
24.66
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.
1uio ADENOSINE DEAMINASE

(Mus musculus) 		PF00962
(A_deaminase) 		9 HIS A  15
HIS A  17
ASP A  19
PHE A  61
GLY A 184
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 (-3.8A)
ZN  A 400 ( 3.3A)
HPR  A 353 (-2.7A)
HPR  A 353 ( 2.5A)
HPR  A 353 (-2.6A)
 0.53A 2pgrA-1uioA:
41.7		 2pgrA-1uioA:
25.74
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.
1uio ADENOSINE DEAMINASE

(Mus musculus) 		PF00962
(A_deaminase) 		6 HIS A 214
HIS A  17
ASP A  19
HIS A  15
GLU A 260
ASP A 181
 ZN  A 400 ( 3.3A)
HPR  A 353 ( 3.1A)
HPR  A 353 (-2.7A)
ZN  A 400 (-3.4A)
None
None
 1.38A 2pgrA-1uioA:
41.7		 2pgrA-1uioA:
25.74
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) 		6 HIS A 391
ASP A 601
HIS A 659
HIS A 681
ASP A 736
ASP A 737
 ZN  A 840 ( 3.2A)
None
ZN  A 840 ( 3.1A)
CF5  A 841 (-4.2A)
CF5  A 841 ( 2.5A)
CF5  A 841 (-2.5A)
 1.46A 2pgrA-2a3lA:
20.8		 2pgrA-2a3lA:
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.
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 2pgrA-2a3lA:
20.8		 2pgrA-2a3lA:
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.
2a7m N-ACYL HOMOSERINE
LACTONE HYDROLASE

(Bacillus
thuringiensis) 		PF00753
(Lactamase_B) 		5 HIS A 104
HIS A 109
GLY A 234
HIS A 173
ASP A  50
 ZN  A 252 (-3.3A)
ZN  A 251 (-3.2A)
None
None
None
 1.08A 2pgrA-2a7mA:
undetectable		 2pgrA-2a7mA:
22.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2amx ADENOSINE DEAMINASE

(Plasmodium
yoelii) 		PF00962
(A_deaminase) 		10 HIS A  55
HIS A  57
ASP A  59
ILE A 183
GLY A 214
HIS A 239
GLU A 242
HIS A 266
ASP A 323
ASP A 324
 CO  A1000 (-3.3A)
CO  A1000 (-3.2A)
None
None
None
CO  A1000 (-3.4A)
UNX  A2004 ( 4.8A)
None
CO  A1000 (-2.7A)
None
 0.29A 2pgrA-2amxA:
56.9		 2pgrA-2amxA:
69.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2amx ADENOSINE DEAMINASE

(Plasmodium
yoelii) 		PF00962
(A_deaminase) 		10 HIS A  55
HIS A  57
ASP A  59
PHE A 101
ILE A 183
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)
None
CO  A1000 (-3.4A)
UNX  A2004 ( 4.8A)
None
CO  A1000 (-2.7A)
None
 0.46A 2pgrA-2amxA:
56.9		 2pgrA-2amxA:
69.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2amx ADENOSINE DEAMINASE

(Plasmodium
yoelii) 		PF00962
(A_deaminase) 		7 HIS A  57
ASP A  59
GLY A 213
GLU A 242
HIS A 266
ASP A 323
ASP A 324
 CO  A1000 (-3.2A)
None
None
UNX  A2004 ( 4.8A)
None
CO  A1000 (-2.7A)
None
 0.86A 2pgrA-2amxA:
56.9		 2pgrA-2amxA:
69.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
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
 1.15A 2pgrA-2amxA:
56.9		 2pgrA-2amxA:
69.68
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.
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)
 0.63A 2pgrA-2bb0A:
22.2		 2pgrA-2bb0A:
24.18
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.
2ch1 3-HYDROXYKYNURENINE
TRANSAMINASE

(Anopheles
gambiae) 		PF00266
(Aminotran_5) 		5 HIS A  79
ASP A 153
PHE A 148
ILE A 103
ASP A 179
 PLP  A1390 (-3.7A)
None
None
None
PLP  A1390 (-3.0A)
 1.18A 2pgrA-2ch1A:
undetectable		 2pgrA-2ch1A:
21.53
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.
2ftw DIHYDROPYRIMIDINE
AMIDOHYDROLASE

(Dictyostelium
discoideum) 		PF01979
(Amidohydro_1) 		5 HIS A  66
HIS A  68
ILE A 102
HIS A 247
ASP A 325
 ZN  A 522 (-3.4A)
ZN  A 522 (-3.3A)
None
ZN  A 523 (-3.6A)
ZN  A 522 (-2.8A)
 1.12A 2pgrA-2ftwA:
13.7		 2pgrA-2ftwA:
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.
2h0r NICOTINAMIDASE

(Saccharomyces
cerevisiae) 		PF00857
(Isochorismatase) 		5 HIS A  94
ILE A 192
GLU A 129
ASP A  51
ASP A   8
 ZN  A 301 (-3.4A)
None
ZN  A 301 ( 3.9A)
ZN  A 301 (-2.6A)
None
 1.15A 2pgrA-2h0rA:
undetectable		 2pgrA-2h0rA:
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.
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)
 0.49A 2pgrA-2i9uA:
22.3		 2pgrA-2i9uA:
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.
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)
 0.44A 2pgrA-2imrA:
18.4		 2pgrA-2imrA:
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.
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)
 0.78A 2pgrA-2imrA:
18.4		 2pgrA-2imrA:
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.
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)
 0.41A 2pgrA-2oodA:
21.0		 2pgrA-2oodA:
21.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ood BLR3880 PROTEIN

(Bradyrhizobium
diazoefficiens) 		PF01979
(Amidohydro_1) 		5 HIS A 234
HIS A 273
GLY A 324
HIS A  79
HIS A  81
 GUN  A 600 ( 2.8A)
GUN  A 600 (-3.9A)
None
ZN  A 500 ( 3.3A)
ZN  A 500 ( 3.3A)
 1.13A 2pgrA-2oodA:
21.0		 2pgrA-2oodA:
21.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.13A 2pgrA-2pokA:
undetectable		 2pgrA-2pokA:
23.96
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.
2q01 URONATE ISOMERASE

(Caulobacter
vibrioides) 		PF02614
(UxaC) 		5 HIS A  41
ASP A 329
GLY A 251
HIS A  39
ASP A 416
 None
 0.97A 2pgrA-2q01A:
2.5		 2pgrA-2q01A:
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.
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)
 0.49A 2pgrA-2q09A:
20.5		 2pgrA-2q09A:
23.28
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.
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)
 0.53A 2pgrA-2qt3A:
21.7		 2pgrA-2qt3A:
24.77
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.
2vhl N-ACETYLGLUCOSAMINE-
6-PHOSPHATE
DEACETYLASE

(Bacillus
subtilis) 		PF01979
(Amidohydro_1) 		6 HIS A  63
HIS A  65
ASP A  71
ILE A 100
HIS A 223
ASP A 281
 FE  A1397 (-3.3A)
FE  A1397 (-3.3A)
None
None
FE  A1398 (-3.3A)
FE  A1397 ( 2.7A)
 1.28A 2pgrA-2vhlA:
15.3		 2pgrA-2vhlA:
22.33
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.
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 242
HIS A 244
HIS A 329
GLU A 377
ASP A 246
 ZN  A1638 (-3.2A)
ZN  A1638 (-3.0A)
ZN  A1638 (-3.5A)
None
ZN  A1639 (-2.7A)
 1.05A 2pgrA-2xr1A:
undetectable		 2pgrA-2xr1A:
21.74
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.
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 244
ILE A 330
GLY A 579
HIS A 604
ASP A 246
 ZN  A1638 (-3.0A)
None
None
ZN  A1639 (-3.3A)
ZN  A1639 (-2.7A)
 1.06A 2pgrA-2xr1A:
undetectable		 2pgrA-2xr1A:
21.74
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.
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)
 0.45A 2pgrA-3e0lA:
21.6		 2pgrA-3e0lA:
23.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3e0l GUANINE DEAMINASE

(Homo sapiens) 		PF01979
(Amidohydro_1) 		5 HIS A 238
HIS A 277
GLY A 326
HIS A  82
HIS A  84
 ZN  A1452 (-3.2A)
None
None
ZN  A1452 (-3.3A)
ZN  A1452 (-3.1A)
 1.12A 2pgrA-3e0lA:
21.6		 2pgrA-3e0lA:
23.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ewd ADENOSINE DEAMINASE

(Plasmodium
vivax) 		PF00962
(A_deaminase) 		11 HIS A  42
HIS A  44
ASP A  46
PHE A  88
ILE A 170
GLY A 200
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)
None
MCF  A 372 (-3.4A)
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)
 0.21A 2pgrA-3ewdA:
62.5		 2pgrA-3ewdA:
97.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ewd ADENOSINE DEAMINASE

(Plasmodium
vivax) 		PF00962
(A_deaminase) 		7 HIS A  44
ASP A  46
GLY A 199
GLU A 228
HIS A 252
ASP A 309
ASP A 310
 MCF  A 372 ( 3.3A)
MCF  A 372 (-3.5A)
MCF  A 372 ( 3.9A)
MCF  A 372 (-2.8A)
MCF  A 372 (-4.1A)
MCF  A 372 ( 2.4A)
MCF  A 372 (-2.9A)
 0.85A 2pgrA-3ewdA:
62.5		 2pgrA-3ewdA:
97.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ewd ADENOSINE DEAMINASE

(Plasmodium
vivax) 		PF00962
(A_deaminase) 		5 HIS A  44
ILE A 170
GLY A 200
HIS A 225
ASP A 310
 MCF  A 372 ( 3.3A)
None
MCF  A 372 (-3.4A)
ZN  A 371 ( 3.4A)
MCF  A 372 (-2.9A)
 1.06A 2pgrA-3ewdA:
62.5		 2pgrA-3ewdA:
97.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
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
 1.14A 2pgrA-3ewdA:
62.5		 2pgrA-3ewdA:
97.57
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.
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)
 0.45A 2pgrA-3g77A:
23.2		 2pgrA-3g77A:
21.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3g77 CYTOSINE DEAMINASE

(Escherichia
coli) 		PF07969
(Amidohydro_3) 		7 HIS A  61
HIS A  63
ASP A 124
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)
 0.83A 2pgrA-3g77A:
23.2		 2pgrA-3g77A:
21.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3g77 CYTOSINE DEAMINASE

(Escherichia
coli) 		PF07969
(Amidohydro_3) 		5 HIS A 214
HIS A 246
GLY A 311
HIS A  61
HIS A  63
 FE  A 502 (-3.6A)
FE  A 502 ( 4.8A)
None
FE  A 502 (-3.1A)
FE  A 502 (-3.1A)
 1.08A 2pgrA-3g77A:
23.2		 2pgrA-3g77A:
21.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.98A 2pgrA-3hc1A:
undetectable		 2pgrA-3hc1A:
21.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.86A 2pgrA-3hpaA:
22.7		 2pgrA-3hpaA:
22.51
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.
3iac GLUCURONATE
ISOMERASE

(Salmonella
enterica) 		PF02614
(UxaC) 		5 HIS A  35
ASP A 321
GLY A 241
HIS A  33
ASP A 414
 None
 0.94A 2pgrA-3iacA:
5.2		 2pgrA-3iacA:
22.86
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.
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)
 0.66A 2pgrA-3icjA:
8.0		 2pgrA-3icjA:
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.
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)
 0.76A 2pgrA-3ighX:
17.1		 2pgrA-3ighX:
22.88
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.
3igz COFACTOR-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Leishmania
mexicana) 		PF01676
(Metalloenzyme)
PF06415
(iPGM_N) 		5 HIS B 429
GLY B  73
HIS B 496
ASP B 425
ASP B  23
 CO  B 562 (-3.2A)
None
CO  B 562 (-3.3A)
CO  B 562 (-2.1A)
CO  B 563 ( 2.2A)
 1.09A 2pgrA-3igzB:
undetectable		 2pgrA-3igzB:
19.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lgg ADENOSINE DEAMINASE
CECR1

(Homo sapiens) 		PF00962
(A_deaminase)
PF08451
(A_deaminase_N) 		10 HIS A  86
HIS A  88
ASP A  89
PHE A 181
GLY A 300
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)
CFE  A 513 (-4.8A)
CFE  A 513 (-3.3A)
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)
 0.72A 2pgrA-3lggA:
35.0		 2pgrA-3lggA:
25.69
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.
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)
 0.80A 2pgrA-3lnpA:
21.9		 2pgrA-3lnpA:
23.06
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.
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)
 0.43A 2pgrA-3mduA:
22.5		 2pgrA-3mduA:
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.
3n2c PROLIDASE

(unidentified) 		PF01979
(Amidohydro_1) 		5 HIS A  63
HIS A  65
ILE A 162
HIS A 249
ASP A 321
 ZN  A 425 (-3.3A)
ZN  A 425 ( 3.3A)
None
ZN  A 426 ( 3.8A)
ZN  A 425 ( 2.9A)
 1.17A 2pgrA-3n2cA:
18.5		 2pgrA-3n2cA:
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.
3nvl 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Trypanosoma
brucei) 		PF01676
(Metalloenzyme)
PF06415
(iPGM_N) 		5 HIS A 428
GLY A  72
HIS A 495
ASP A 319
ASP A 317
 CO  A 554 (-3.3A)
None
CO  A 554 (-3.3A)
CO  A 554 (-2.4A)
None
 1.15A 2pgrA-3nvlA:
undetectable		 2pgrA-3nvlA:
20.69
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.
3nvl 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Trypanosoma
brucei) 		PF01676
(Metalloenzyme)
PF06415
(iPGM_N) 		5 HIS A 428
GLY A  72
HIS A 495
ASP A 424
ASP A  22
 CO  A 554 (-3.3A)
None
CO  A 554 (-3.3A)
CO  A 554 (-2.3A)
CO  A 553 (-2.1A)
 1.03A 2pgrA-3nvlA:
undetectable		 2pgrA-3nvlA:
20.69
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.
3pao ADENOSINE DEAMINASE

(Pseudomonas
aeruginosa) 		PF00962
(A_deaminase) 		6 HIS A  16
HIS A  18
ASP A 100
PHE A  59
HIS A 220
ASP A 277
 ZN  A 327 (-3.4A)
ADE  A 328 ( 3.0A)
None
None
ADE  A 328 ( 4.2A)
ZN  A 327 ( 2.6A)
 1.19A 2pgrA-3paoA:
39.5		 2pgrA-3paoA:
27.30
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.
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 2pgrA-3paoA:
39.5		 2pgrA-3paoA:
27.30
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.
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)
 1.12A 2pgrA-3paoA:
39.5		 2pgrA-3paoA:
27.30
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.
3pm6 PUTATIVE
FRUCTOSE-BISPHOSPHAT
E ALDOLASE

(Coccidioides
immitis) 		PF01116
(F_bP_aldolase) 		5 HIS A  87
ILE A 150
GLY A 224
HIS A 223
ASP A  86
 ZN  A 319 (-3.3A)
None
None
ZN  A 319 (-3.2A)
ZN  A 319 ( 4.1A)
 1.14A 2pgrA-3pm6A:
3.9		 2pgrA-3pm6A:
20.31
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.
3qy7 TYROSINE-PROTEIN
PHOSPHATASE YWQE

(Bacillus
subtilis) 		no annotation 5 HIS A   7
HIS A 196
HIS A  42
GLU A 108
ASP A 194
 FE  A 264 ( 3.3A)
MG  A 265 ( 3.3A)
PO4  A 266 ( 3.3A)
FE  A 263 ( 2.9A)
FE  A 264 ( 2.6A)
 1.12A 2pgrA-3qy7A:
10.6		 2pgrA-3qy7A:
24.07
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.
3rys ADENOSINE DEAMINASE
1

(Paenarthrobacter
aurescens) 		PF00962
(A_deaminase) 		6 HIS A  19
HIS A  21
ASP A 103
PHE A  62
HIS A 223
ASP A 280
 ZN  A 344 (-3.5A)
ADE  A 345 ( 3.2A)
None
None
ADE  A 345 ( 4.2A)
ZN  A 344 ( 2.5A)
 1.18A 2pgrA-3rysA:
39.4		 2pgrA-3rysA:
27.16
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.
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)
 0.50A 2pgrA-3rysA:
39.4		 2pgrA-3rysA:
27.16
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.
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)
 1.13A 2pgrA-3rysA:
39.4		 2pgrA-3rysA:
27.16
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.
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
 0.97A 2pgrA-3t8lA:
15.5		 2pgrA-3t8lA:
20.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ttf TRANSCRIPTIONAL
REGULATORY PROTEIN

(Escherichia
coli) 		PF01300
(Sua5_yciO_yrdC)
PF07503
(zf-HYPF) 		5 HIS A 479
ASP A 400
HIS A 475
HIS A 476
ASP A 502
 ZN  A   3 ( 3.4A)
None
ZN  A   3 (-3.5A)
None
ZN  A   3 ( 3.3A)
 1.10A 2pgrA-3ttfA:
undetectable		 2pgrA-3ttfA:
18.07
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.
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)
 0.37A 2pgrA-3v7pA:
20.5		 2pgrA-3v7pA:
24.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zq4 RIBONUCLEASE J 1

(Bacillus
subtilis) 		PF00753
(Lactamase_B)
PF07521
(RMMBL) 		5 HIS A  79
HIS A 390
ILE A  20
HIS A  74
ASP A 195
 ZN  A1556 (-3.2A)
ZN  A1556 (-3.4A)
None
ZN  A1557 (-3.0A)
None
 1.03A 2pgrA-3zq4A:
undetectable		 2pgrA-3zq4A:
23.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bed HEMOCYANIN KLH1

(Megathura
crenulata) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		5 HIS A 179
HIS A 183
ASP A 203
HIS A 210
HIS A  69
 CUO  A9001 (-3.4A)
CUO  A9001 (-3.4A)
None
CUO  A9001 (-3.3A)
CUO  A9001 (-3.1A)
 0.85A 2pgrA-4bedA:
undetectable		 2pgrA-4bedA:
14.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bed HEMOCYANIN KLH1

(Megathura
crenulata) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		5 HIS A 602
HIS A 606
ASP A 626
HIS A 633
HIS A 491
 CUO  A9002 (-3.4A)
CUO  A9002 (-3.3A)
None
CUO  A9002 (-3.3A)
CUO  A9002 (-3.4A)
 0.87A 2pgrA-4bedA:
undetectable		 2pgrA-4bedA:
14.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bed HEMOCYANIN KLH1

(Megathura
crenulata) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		5 HIS A 905
HIS A 876
ASP A1179
GLY A1178
HIS A 896
 CUO  A9003 (-3.5A)
CUO  A9003 (-3.3A)
None
None
CUO  A9003 (-3.4A)
 1.14A 2pgrA-4bedA:
undetectable		 2pgrA-4bedA:
14.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bed HEMOCYANIN KLH1

(Megathura
crenulata) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		5 HIS B2260
HIS B2264
ASP B2284
HIS B2291
HIS B2150
 CUO  B9006 (-3.2A)
CUO  B9006 (-3.2A)
None
CUO  B9006 (-3.5A)
CUO  B9006 (-3.3A)
 0.91A 2pgrA-4bedB:
undetectable		 2pgrA-4bedB:
12.78
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.
4bed HEMOCYANIN KLH1

(Megathura
crenulata) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		5 HIS B2670
HIS B2674
ASP B2694
HIS B2701
HIS B2570
 CUO  B9007 (-3.4A)
CUO  B9007 (-3.4A)
None
CUO  B9007 (-3.1A)
CUO  B9007 (-3.3A)
 0.88A 2pgrA-4bedB:
undetectable		 2pgrA-4bedB:
12.78
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.
4bed HEMOCYANIN KLH1

(Megathura
crenulata) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		5 HIS B2974
HIS B2946
GLY B3237
HIS B2965
HIS B3075
 CUO  B9008 (-2.9A)
CUO  B9008 (-3.1A)
None
CUO  B9008 (-3.2A)
CUO  B9008 (-2.8A)
 0.89A 2pgrA-4bedB:
undetectable		 2pgrA-4bedB:
12.78
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.
4bed HEMOCYANIN KLH1

(Megathura
crenulata) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		5 HIS B3075
HIS B3079
ASP B3099
HIS B3106
HIS B2974
 CUO  B9008 (-2.8A)
CUO  B9008 (-3.5A)
None
CUO  B9008 (-3.3A)
CUO  B9008 (-2.9A)
 1.03A 2pgrA-4bedB:
undetectable		 2pgrA-4bedB:
12.78
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.
4bz7 HISTONE DEACETYLASE
8

(Schistosoma
mansoni) 		PF00850
(Hist_deacetyl) 		5 HIS A 292
HIS A 188
GLY A 150
ASP A 285
ASP A 186
 None
ZN  A 500 (-3.1A)
GOL  A 800 ( 3.5A)
ZN  A 500 ( 2.5A)
ZN  A 500 (-2.3A)
 0.91A 2pgrA-4bz7A:
undetectable		 2pgrA-4bz7A:
22.27
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.
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)
 0.37A 2pgrA-4dykA:
22.2		 2pgrA-4dykA:
20.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dyk AMIDOHYDROLASE

(Pseudomonas
aeruginosa) 		PF01979
(Amidohydro_1) 		5 HIS A 221
HIS A 258
GLY A 307
HIS A  72
HIS A  74
 ZN  A 501 (-3.3A)
None
None
ZN  A 501 (-3.3A)
ZN  A 501 (-3.2A)
 1.12A 2pgrA-4dykA:
22.2		 2pgrA-4dykA:
20.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.37A 2pgrA-4dzhA:
21.4		 2pgrA-4dzhA:
21.80
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.
4dzh AMIDOHYDROLASE

(Xanthomonas
campestris) 		PF01979
(Amidohydro_1) 		5 HIS A 227
HIS A 264
GLY A 313
HIS A  78
HIS A  80
 ZN  A 504 (-3.3A)
ZN  A 505 ( 4.8A)
None
ZN  A 504 (-3.3A)
ZN  A 504 (-3.1A)
 1.16A 2pgrA-4dzhA:
21.4		 2pgrA-4dzhA:
21.80
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.
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)
 0.46A 2pgrA-4f0lA:
21.6		 2pgrA-4f0lA:
22.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4f0l AMIDOHYDROLASE

(Brucella
abortus) 		PF01979
(Amidohydro_1) 		5 HIS A 237
HIS A 274
GLY A 323
HIS A  61
HIS A  63
 FE  A 501 (-3.5A)
None
None
FE  A 501 (-3.4A)
FE  A 501 (-3.4A)
 1.12A 2pgrA-4f0lA:
21.6		 2pgrA-4f0lA:
22.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.35A 2pgrA-4f0sA:
22.8		 2pgrA-4f0sA:
23.21
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.
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
 0.52A 2pgrA-4gxwA:
38.5		 2pgrA-4gxwA:
24.88
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.
4hjw URACIL-5-CARBOXYLATE
DECARBOXYLASE

(Metarhizium
anisopliae) 		PF04909
(Amidohydro_2) 		6 HIS A  12
HIS A  14
ILE A 163
HIS A 195
HIS A 251
ASP A 323
 ZN  A 401 (-3.6A)
ZN  A 401 (-3.5A)
None
ZN  A 401 (-3.5A)
None
ZN  A 401 (-2.8A)
 1.16A 2pgrA-4hjwA:
12.6		 2pgrA-4hjwA:
24.43
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.
4i7h PEROXIDE STRESS
SENSING REGULATOR

(Streptococcus
pyogenes) 		PF01475
(FUR) 		5 HIS A   4
HIS A  19
GLY A  96
HIS A  97
HIS A  99
 NI  A 201 (-3.6A)
NI  A 201 (-3.5A)
None
NI  A 201 (-3.6A)
NI  A 201 (-3.5A)
 1.16A 2pgrA-4i7hA:
undetectable		 2pgrA-4i7hA:
19.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.73A 2pgrA-4ifrA:
4.7		 2pgrA-4ifrA:
22.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ifr 2-AMINO-3-CARBOXYMUC
ONATE 6-SEMIALDEHYDE
DECARBOXYLASE

(Pseudomonas
fluorescens) 		PF04909
(Amidohydro_2) 		5 HIS A 177
HIS A   9
ASP A   7
GLY A 300
ASP A 268
 ZN  A 401 (-3.6A)
ZN  A 401 (-3.5A)
None
None
None
 1.12A 2pgrA-4ifrA:
4.7		 2pgrA-4ifrA:
22.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.86A 2pgrA-4igmA:
5.0		 2pgrA-4igmA:
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.
4igm 2-AMINO-3-CARBOXYMUC
ONATE-6-SEMIALDEHYDE
DECARBOXYLASE

(Homo sapiens) 		PF04909
(Amidohydro_2) 		5 HIS A 174
HIS A   6
ASP A   4
GLY A 297
ASP A 265
 ZN  A 401 (-3.3A)
ZN  A 401 (-3.4A)
None
None
None
 0.97A 2pgrA-4igmA:
5.0		 2pgrA-4igmA:
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.
4lan URACIL-5-CARBOXYLATE
DECARBOXYLASE

(Cordyceps
militaris) 		PF04909
(Amidohydro_2) 		5 HIS A  12
HIS A  14
ILE A 163
HIS A 251
ASP A 323
 ZN  A 401 (-4.1A)
ZN  A 401 (-4.0A)
None
None
ZN  A 401 (-3.4A)
 0.78A 2pgrA-4lanA:
12.6		 2pgrA-4lanA:
22.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.64A 2pgrA-4r85A:
23.2		 2pgrA-4r85A:
22.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4r85 CYTOSINE DEAMINASE

(Klebsiella
pneumoniae) 		PF07969
(Amidohydro_3) 		7 HIS A  56
HIS A  58
ASP A 119
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)
 0.89A 2pgrA-4r85A:
23.2		 2pgrA-4r85A:
22.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.52A 2pgrA-4v1yA:
21.8		 2pgrA-4v1yA:
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.
4v1y ATRAZINE
CHLOROHYDROLASE

(Pseudomonas sp.
ADP) 		PF01979
(Amidohydro_1) 		5 HIS A 243
HIS A 276
GLY A 325
HIS A  66
HIS A  68
 FE  A 481 (-4.1A)
FE  A 481 (-3.9A)
None
FE  A 481 (-3.9A)
FE  A 481 (-3.9A)
 1.16A 2pgrA-4v1yA:
21.8		 2pgrA-4v1yA:
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.
4z11 AURONE SYNTHASE

(Coreopsis
grandiflora) 		PF00264
(Tyrosinase)
PF12142
(PPO1_DWL)
PF12143
(PPO1_KFDV) 		5 HIS A  93
HIS A 116
ILE A 115
HIS A 125
HIS A 286
 CU  A 700 (-3.2A)
CU  A 700 (-3.2A)
None
CU  A 700 (-3.2A)
CU  A 701 (-3.1A)
 1.13A 2pgrA-4z11A:
undetectable		 2pgrA-4z11A:
22.88
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.
5a0t RIBONUCLEASE J

(Streptomyces
coelicolor) 		PF00753
(Lactamase_B)
PF07521
(RMMBL) 		5 HIS A  89
HIS A 399
ILE A  30
HIS A  84
ASP A 205
 ZN  A1457 (-3.5A)
ZN  A1457 (-3.5A)
C  E   0 ( 3.6A)
ZN  A1458 (-3.6A)
None
 1.19A 2pgrA-5a0tA:
undetectable		 2pgrA-5a0tA:
22.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5n4l CERULOPLASMIN

(Rattus
norvegicus) 		no annotation 5 HIS A 103
HIS A 160
ILE A 169
HIS A1016
HIS A 972
 CU  A1104 ( 3.5A)
CU  A1104 (-3.6A)
None
CU  A1104 (-3.1A)
CU  A1105 (-3.3A)
 1.02A 2pgrA-5n4lA:
undetectable		 2pgrA-5n4lA:
12.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5n4l CERULOPLASMIN

(Rattus
norvegicus) 		no annotation 5 HIS A 162
HIS A 101
GLY A 975
HIS A 974
HIS A1014
 CU  A1101 (-3.3A)
CU  A1105 (-3.1A)
None
CU  A1101 ( 3.2A)
CU  A1101 (-3.2A)
 1.13A 2pgrA-5n4lA:
undetectable		 2pgrA-5n4lA:
12.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vpu 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Acinetobacter
baumannii) 		PF01676
(Metalloenzyme)
PF06415
(iPGM_N) 		5 HIS A 407
GLY A  65
HIS A 463
ASP A 403
ASP A  17
 MN  A 601 ( 3.2A)
None
MN  A 601 ( 3.2A)
MN  A 601 ( 2.0A)
MN  A 602 ( 2.2A)
 1.08A 2pgrA-5vpuA:
undetectable		 2pgrA-5vpuA:
21.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.07A 2pgrA-5xoyA:
undetectable		 2pgrA-5xoyA:
21.53