SIMILAR PATTERNS OF AMINO ACIDS FOR 2PGR_A_DCFA501

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
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
12as ASPARAGINE
SYNTHETASE

(Escherichia
coli) 		PF03590
(AsnA) 		3 LEU A 133
LEU A  27
PHE A 197
 None
 0.72A 2pgrA-12asA:
undetectable		 2pgrA-12asA:
21.59
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.
1as4 ANTICHYMOTRYPSIN

(Homo sapiens) 		PF00079
(Serpin) 		3 LEU A  26
LEU A 137
PHE A  82
 None
 0.69A 2pgrA-1as4A:
undetectable		 2pgrA-1as4A:
21.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1att ANTITHROMBIN III

(Bos taurus) 		PF00079
(Serpin) 		3 LEU A 336
LEU A  79
PHE A 107
 None
 0.55A 2pgrA-1attA:
undetectable		 2pgrA-1attA:
24.08
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.
1b47 CBL

(Homo sapiens) 		PF02262
(Cbl_N)
PF02761
(Cbl_N2)
PF02762
(Cbl_N3) 		3 LEU A 300
LEU A  87
PHE A 271
 None
 0.73A 2pgrA-1b47A:
undetectable		 2pgrA-1b47A:
23.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1cqi PROTEIN
(SUCCINYL-COA
SYNTHETASE BETA
CHAIN)

(Escherichia
coli) 		PF00549
(Ligase_CoA)
PF08442
(ATP-grasp_2) 		3 LEU B 110
LEU B 149
PHE B 177
 None
 0.72A 2pgrA-1cqiB:
2.1		 2pgrA-1cqiB:
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.
1cvm PHYTASE

(Bacillus
amyloliquefaciens) 		PF02333
(Phytase) 		3 LEU A 163
LEU A 141
PHE A 161
 None
 0.68A 2pgrA-1cvmA:
undetectable		 2pgrA-1cvmA:
21.10
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.
1d7w MYELOPEROXIDASE

(Homo sapiens) 		PF03098
(An_peroxidase) 		3 LEU C 210
LEU C 381
PHE C 233
 None
 0.73A 2pgrA-1d7wC:
undetectable		 2pgrA-1d7wC:
19.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ezv UBIQUINOL-CYTOCHROME
C REDUCTASE COMPLEX
CORE PROTEIN 2
UBIQUINOL-CYTOCHROME
C REDUCTASE COMPLEX
CORE PROTEIN I

(Saccharomyces
cerevisiae) 		PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C) 		3 LEU A  92
LEU B 264
PHE A 118
 None
 0.58A 2pgrA-1ezvA:
undetectable		 2pgrA-1ezvA:
23.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1g0v PROTEINASE A

(Saccharomyces
cerevisiae) 		PF00026
(Asp) 		3 LEU A 123
LEU A  94
PHE A 153
 None
 0.74A 2pgrA-1g0vA:
undetectable		 2pgrA-1g0vA:
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.
1gcb GAL6 HG (EMTS)
DERIVATIVE

(Saccharomyces
cerevisiae) 		PF03051
(Peptidase_C1_2) 		3 LEU A 102
LEU A 254
PHE A 148
 None
 0.65A 2pgrA-1gcbA:
undetectable		 2pgrA-1gcbA:
20.82
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.
1gt9 KUMAMOLYSIN

(Bacillus
subtilis) 		PF00082
(Peptidase_S8) 		3 LEU 1 351
LEU 1 283
PHE 1 314
 None
 0.72A 2pgrA-1gt91:
undetectable		 2pgrA-1gt91:
20.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1gz5 ALPHA-TREHALOSE-PHOS
PHATE SYNTHASE

(Escherichia
coli) 		PF00982
(Glyco_transf_20) 		3 LEU A 313
LEU A 359
PHE A 273
 None
 0.69A 2pgrA-1gz5A:
undetectable		 2pgrA-1gz5A:
21.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hlg LIPASE, GASTRIC

(Homo sapiens) 		PF00561
(Abhydrolase_1) 		3 LEU A 335
LEU A 326
PHE A 160
 None
 0.71A 2pgrA-1hlgA:
undetectable		 2pgrA-1hlgA:
22.95
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.
1igr INSULIN-LIKE GROWTH
FACTOR RECEPTOR 1

(Homo sapiens) 		PF00757
(Furin-like)
PF01030
(Recep_L_domain) 		3 LEU A  55
LEU A  95
PHE A  70
 None
 0.71A 2pgrA-1igrA:
undetectable		 2pgrA-1igrA:
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.
1j0n XANTHAN LYASE

(Bacillus sp.
GL1) 		PF02278
(Lyase_8)
PF02884
(Lyase_8_C)
PF08124
(Lyase_8_N) 		3 LEU A 734
LEU A 487
PHE A 774
 None
 0.72A 2pgrA-1j0nA:
undetectable		 2pgrA-1j0nA:
18.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1j0w DOWNSTREAM OF
TYROSINE KINASE 5

(Homo sapiens) 		PF02174
(IRS) 		3 LEU A  40
LEU A  55
PHE A  85
 None
 0.58A 2pgrA-1j0wA:
undetectable		 2pgrA-1j0wA:
13.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jf5 ALPHA AMYLASE II

(Thermoactinomyces
vulgaris) 		PF00128
(Alpha-amylase)
PF02903
(Alpha-amylase_N)
PF16657
(Malt_amylase_C) 		3 LEU A 182
LEU A 451
PHE A 141
 None
 0.73A 2pgrA-1jf5A:
3.8		 2pgrA-1jf5A:
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.
1kgs DNA BINDING RESPONSE
REGULATOR D

(Thermotoga
maritima) 		PF00072
(Response_reg)
PF00486
(Trans_reg_C) 		3 LEU A  80
LEU A 117
PHE A 105
 None
 0.71A 2pgrA-1kgsA:
undetectable		 2pgrA-1kgsA:
22.49
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.
1kl9 EUKARYOTIC
TRANSLATION
INITIATION FACTOR 2
SUBUNIT 1

(Homo sapiens) 		PF00575
(S1)
PF07541
(EIF_2_alpha) 		3 LEU A 175
LEU A 126
PHE A 152
 None
 0.70A 2pgrA-1kl9A:
undetectable		 2pgrA-1kl9A:
20.33
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.
1lwh 4-ALPHA-GLUCANOTRANS
FERASE

(Thermotoga
maritima) 		PF00128
(Alpha-amylase)
PF09178
(DUF1945) 		3 LEU A  32
LEU A 309
PHE A  11
 None
 0.71A 2pgrA-1lwhA:
3.9		 2pgrA-1lwhA:
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.
1m33 BIOH PROTEIN

(Escherichia
coli) 		PF00561
(Abhydrolase_1) 		3 LEU A 249
LEU A  44
PHE A 245
 None
 0.70A 2pgrA-1m33A:
2.5		 2pgrA-1m33A:
22.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ms8 TRANS-SIALIDASE

(Trypanosoma
cruzi) 		PF13385
(Laminin_G_3)
PF13859
(BNR_3) 		3 LEU A 392
LEU A 612
PHE A 422
 None
 0.72A 2pgrA-1ms8A:
undetectable		 2pgrA-1ms8A:
20.24
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.
1mvo PHOP RESPONSE
REGULATOR

(Bacillus
subtilis) 		PF00072
(Response_reg) 		3 LEU A  80
LEU A  49
PHE A 105
 None
 0.61A 2pgrA-1mvoA:
undetectable		 2pgrA-1mvoA:
17.76
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.
1mw9 DNA TOPOISOMERASE I

(Escherichia
coli) 		PF01131
(Topoisom_bac)
PF01751
(Toprim) 		3 LEU X  37
LEU X  67
PHE X 170
 None
 0.67A 2pgrA-1mw9X:
undetectable		 2pgrA-1mw9X:
22.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ns3 NS3 PROTEASE

(Hepacivirus C) 		PF02907
(Peptidase_S29) 		3 LEU A 104
LEU A  94
PHE A 169
 None
 0.63A 2pgrA-1ns3A:
undetectable		 2pgrA-1ns3A:
18.85
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.
1o4s ASPARTATE
AMINOTRANSFERASE

(Thermotoga
maritima) 		PF00155
(Aminotran_1_2) 		3 LEU A 340
LEU A 363
PHE A 319
 None
 0.64A 2pgrA-1o4sA:
undetectable		 2pgrA-1o4sA:
24.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1osn THYMIDINE KINASE

(Human
alphaherpesvirus
3) 		PF00693
(Herpes_TK) 		3 LEU A 216
LEU A 161
PHE A 258
 None
 0.68A 2pgrA-1osnA:
undetectable		 2pgrA-1osnA:
20.85
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.
1p2x RAS
GTPASE-ACTIVATING-LI
KE PROTEIN

(Schizosaccharomyces
pombe) 		PF00307
(CH) 		3 LEU A 143
LEU A  55
PHE A 110
 None
 0.70A 2pgrA-1p2xA:
undetectable		 2pgrA-1p2xA:
18.43
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.
1p5s RAS
GTPASE-ACTIVATING-LI
KE PROTEIN RNG2

(Schizosaccharomyces
pombe) 		PF00307
(CH) 		3 LEU A 143
LEU A  55
PHE A 110
 HG  A 191 ( 4.8A)
None
None
 0.60A 2pgrA-1p5sA:
undetectable		 2pgrA-1p5sA:
20.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1pdr HUMAN DISCS LARGE
PROTEIN

(Homo sapiens) 		PF00595
(PDZ) 		3 LEU A 495
LEU A 532
PHE A 493
 None
 0.67A 2pgrA-1pdrA:
undetectable		 2pgrA-1pdrA:
14.44
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.
1pgj 6-PHOSPHOGLUCONATE
DEHYDROGENASE

(Trypanosoma
brucei) 		PF00393
(6PGD)
PF03446
(NAD_binding_2) 		3 LEU A  66
LEU A 122
PHE A  62
 None
 0.70A 2pgrA-1pgjA:
undetectable		 2pgrA-1pgjA:
21.18
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.
1pzt BETA-1,4-GALACTOSYLT
RANSFERASE 1

(Bos taurus) 		PF02709
(Glyco_transf_7C)
PF13733
(Glyco_transf_7N) 		3 LEU A 240
LEU A 378
PHE A 248
 None
 0.72A 2pgrA-1pztA:
undetectable		 2pgrA-1pztA:
20.68
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.
1qrd QUINONE-REDUCTASE

(Rattus rattus) 		PF02525
(Flavodoxin_2) 		3 LEU A 112
LEU A   6
PHE A 116
 None
 0.68A 2pgrA-1qrdA:
undetectable		 2pgrA-1qrdA:
23.76
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.
1r6b CLPA PROTEIN

(Escherichia
coli) 		PF00004
(AAA)
PF02861
(Clp_N)
PF07724
(AAA_2)
PF10431
(ClpB_D2-small) 		3 LEU X 109
LEU X  58
PHE X 113
 None
 0.71A 2pgrA-1r6bX:
undetectable		 2pgrA-1r6bX:
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.
1s8e EXONUCLEASE PUTATIVE

(Pyrococcus
furiosus) 		PF00149
(Metallophos) 		3 LEU A  98
LEU A  33
PHE A  51
 None
 0.55A 2pgrA-1s8eA:
3.4		 2pgrA-1s8eA:
23.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1sc6 D-3-PHOSPHOGLYCERATE
DEHYDROGENASE

(Escherichia
coli) 		PF00389
(2-Hacid_dh)
PF01842
(ACT)
PF02826
(2-Hacid_dh_C) 		3 LEU A  15
LEU A  76
PHE A  82
 None
 0.62A 2pgrA-1sc6A:
undetectable		 2pgrA-1sc6A:
23.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1sd5 PUTATIVE
ANTITERMINATOR

(Mycobacterium
tuberculosis) 		PF00072
(Response_reg)
PF03861
(ANTAR) 		3 LEU A  91
LEU A  61
PHE A 116
 None
None
IOD  A 414 (-3.9A)
 0.56A 2pgrA-1sd5A:
undetectable		 2pgrA-1sd5A:
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.
1sh2 RNA POLYMERASE

(Norwalk virus) 		PF00680
(RdRP_1) 		3 LEU A 318
LEU A  94
PHE A 338
 None
 0.67A 2pgrA-1sh2A:
undetectable		 2pgrA-1sh2A:
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.
1t5b ACYL CARRIER PROTEIN
PHOSPHODIESTERASE

(Salmonella
enterica) 		PF02525
(Flavodoxin_2) 		3 LEU A 105
LEU A   5
PHE A 109
 None
 0.69A 2pgrA-1t5bA:
undetectable		 2pgrA-1t5bA:
20.33
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.
1t6p PHENYLALANINE
AMMONIA-LYASE

(Rhodotorula
toruloides) 		PF00221
(Lyase_aromatic) 		3 LEU A 581
LEU A 573
PHE A 601
 None
 0.74A 2pgrA-1t6pA:
undetectable		 2pgrA-1t6pA:
19.16
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.
1u7k GAG POLYPROTEIN

(Murine leukemia
virus) 		PF02093
(Gag_p30) 		3 LEU A  58
LEU A 115
PHE A  15
 None
 0.72A 2pgrA-1u7kA:
undetectable		 2pgrA-1u7kA:
15.41
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.
1uhl OXYSTEROLS RECEPTOR
LXR-ALPHA

(Homo sapiens) 		PF00104
(Hormone_recep) 		3 LEU B 217
LEU B 381
PHE B 271
 None
 0.66A 2pgrA-1uhlB:
undetectable		 2pgrA-1uhlB:
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.
1ukf AVIRULENCE PROTEIN
AVRPPH3

(Pseudomonas
savastanoi) 		PF03543
(Peptidase_C58) 		3 LEU A  82
LEU A 204
PHE A 233
 None
 0.70A 2pgrA-1ukfA:
undetectable		 2pgrA-1ukfA:
18.73
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.
1uw4 REGULATOR OF
NONSENSE TRANSCRIPTS
2
UPF3X

(Homo sapiens) 		PF02854
(MIF4G)
PF03467
(Smg4_UPF3) 		3 LEU B 910
LEU A  89
PHE B 899
 None
 0.67A 2pgrA-1uw4B:
undetectable		 2pgrA-1uw4B:
20.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1uxt GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE
(NADP+)

(Thermoproteus
tenax) 		PF00171
(Aldedh) 		3 LEU A   5
LEU A 219
PHE A  97
 None
 0.68A 2pgrA-1uxtA:
undetectable		 2pgrA-1uxtA:
22.31
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.
1v4g GLUTAMATE--CYSTEINE
LIGASE

(Escherichia
coli) 		PF04262
(Glu_cys_ligase) 		3 LEU A 483
LEU A  48
PHE A  82
 None
 0.69A 2pgrA-1v4gA:
undetectable		 2pgrA-1v4gA:
20.11
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.
1v4v UDP-N-ACETYLGLUCOSAM
INE 2-EPIMERASE

(Thermus
thermophilus) 		PF02350
(Epimerase_2) 		3 LEU A 146
LEU A  87
PHE A 105
 None
 0.63A 2pgrA-1v4vA:
undetectable		 2pgrA-1v4vA:
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.
1v72 ALDOLASE

(Pseudomonas
putida) 		PF01212
(Beta_elim_lyase) 		3 LEU A 257
LEU A 187
PHE A  52
 None
 0.47A 2pgrA-1v72A:
2.1		 2pgrA-1v72A:
21.90
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.
1vc4 INDOLE-3-GLYCEROL
PHOSPHATE SYNTHASE

(Thermus
thermophilus) 		PF00218
(IGPS) 		3 LEU A  28
LEU A  98
PHE A 119
 None
 0.60A 2pgrA-1vc4A:
5.5		 2pgrA-1vc4A:
21.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wg8 PREDICTED
S-ADENOSYLMETHIONINE
-DEPENDENT
METHYLTRANSFERASE

(Thermus
thermophilus) 		PF01795
(Methyltransf_5) 		3 LEU A  97
LEU A 246
PHE A  75
 None
None
SAM  A3142 (-3.2A)
 0.72A 2pgrA-1wg8A:
undetectable		 2pgrA-1wg8A:
21.71
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.
1wv2 THIAZOLE
BIOSYNTHESIS PROTEIN
THIG

(Pseudomonas
aeruginosa) 		PF05690
(ThiG) 		3 LEU A1163
LEU A1152
PHE A1118
 None
 0.73A 2pgrA-1wv2A:
6.1		 2pgrA-1wv2A:
19.84
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.
1x55 ASPARAGINYL-TRNA
SYNTHETASE

(Pyrococcus
horikoshii) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon) 		3 LEU A 416
LEU A 141
PHE A 265
 None
 0.61A 2pgrA-1x55A:
undetectable		 2pgrA-1x55A:
22.93
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.
1x9s DNA POLYMERASE

(Escherichia
virus T7) 		PF00476
(DNA_pol_A) 		3 LEU A 346
LEU A 390
PHE A 261
 None
 0.53A 2pgrA-1x9sA:
undetectable		 2pgrA-1x9sA:
19.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ys7 TRANSCRIPTIONAL
REGULATORY PROTEIN
PRRA

(Mycobacterium
tuberculosis) 		PF00072
(Response_reg)
PF00486
(Trans_reg_C) 		3 LEU A  85
LEU A 122
PHE A 110
 None
 0.71A 2pgrA-1ys7A:
undetectable		 2pgrA-1ys7A:
20.91
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.
1yzv HYPOTHETICAL PROTEIN

(Trypanosoma
cruzi) 		PF00857
(Isochorismatase) 		3 LEU A 123
LEU A   5
PHE A  16
 None
 0.68A 2pgrA-1yzvA:
undetectable		 2pgrA-1yzvA:
23.64
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.
1z1s HYPOTHETICAL PROTEIN
PA3332

(Pseudomonas
aeruginosa) 		PF12680
(SnoaL_2) 		3 LEU A  32
LEU A  11
PHE A  34
 None
 0.67A 2pgrA-1z1sA:
undetectable		 2pgrA-1z1sA:
20.22
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.
1z3v CELLULASE

(Phanerochaete
chrysosporium) 		PF00840
(Glyco_hydro_7) 		3 LEU A 359
LEU A  28
PHE A 124
 None
 0.70A 2pgrA-1z3vA:
undetectable		 2pgrA-1z3vA:
19.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1z9a NAD(P)H-DEPENDENT
D-XYLOSE REDUCTASE

([Candida]
tenuis) 		PF00248
(Aldo_ket_red) 		3 LEU A  26
LEU A 103
PHE A  21
 None
 0.72A 2pgrA-1z9aA:
5.7		 2pgrA-1z9aA:
21.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1z9n SUPEROXIDE DISMUTASE
[CU-ZN]

([Haemophilus]
ducreyi) 		PF00080
(Sod_Cu) 		3 LEU A 148
LEU A 137
PHE A  69
 None
 0.72A 2pgrA-1z9nA:
undetectable		 2pgrA-1z9nA:
18.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1za4 THROMBOSPONDIN 1

(Homo sapiens) 		PF02210
(Laminin_G_2) 		3 LEU A  89
LEU A  72
PHE A  57
 None
 0.68A 2pgrA-1za4A:
undetectable		 2pgrA-1za4A:
18.72
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.
1zv4 REGULATOR OF
G-PROTEIN SIGNALING
17

(Homo sapiens) 		PF00615
(RGS) 		3 LEU X 151
LEU X 163
PHE X 113
 None
 0.64A 2pgrA-1zv4X:
undetectable		 2pgrA-1zv4X:
19.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zzg GLUCOSE-6-PHOSPHATE
ISOMERASE

(Thermus
thermophilus) 		PF00342
(PGI) 		3 LEU A 381
LEU A   4
PHE A 247
 None
 0.47A 2pgrA-1zzgA:
undetectable		 2pgrA-1zzgA:
21.78
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.
2am4 ALPHA-1,3-MANNOSYL-G
LYCOPROTEIN
2-BETA-N-ACETYLGLUCO
SAMINYLTRANSFERASE

(Oryctolagus
cuniculus) 		PF03071
(GNT-I) 		3 LEU A 260
LEU A 272
PHE A 343
 None
 0.69A 2pgrA-2am4A:
undetectable		 2pgrA-2am4A:
21.50
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) 		3 LEU A  60
LEU A  98
PHE A 145
 None
 0.54A 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.
2b4x ANTITHROMBIN-III

(Homo sapiens) 		PF00079
(Serpin) 		3 LEU I 335
LEU I  78
PHE I 106
 None
 0.57A 2pgrA-2b4xI:
undetectable		 2pgrA-2b4xI:
22.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bhn XPF ENDONUCLEASE

(Aeropyrum
pernix) 		PF02732
(ERCC4)
PF14520
(HHH_5) 		3 LEU A 127
LEU A  85
PHE A  69
 None
 0.50A 2pgrA-2bhnA:
undetectable		 2pgrA-2bhnA:
20.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bka TAT-INTERACTING
PROTEIN TIP30

(Homo sapiens) 		PF13460
(NAD_binding_10) 		3 LEU A  92
LEU A  55
PHE A  72
 NDP  A 506 (-4.3A)
None
NDP  A 506 (-4.5A)
 0.72A 2pgrA-2bkaA:
undetectable		 2pgrA-2bkaA:
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.
2bxy MALTOOLIGOSYLTREHALO
SE TREHALOHYDROLASE

(Deinococcus
radiodurans) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48)
PF11941
(DUF3459) 		3 LEU A 195
LEU A 150
PHE A 269
 None
 0.69A 2pgrA-2bxyA:
4.6		 2pgrA-2bxyA:
17.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2cyj HYPOTHETICAL PROTEIN
PH1505

(Pyrococcus
horikoshii) 		PF04430
(DUF498) 		3 LEU A  57
LEU A  48
PHE A  61
 None
 0.61A 2pgrA-2cyjA:
undetectable		 2pgrA-2cyjA:
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.
2d07 G/T
MISMATCH-SPECIFIC
THYMINE DNA
GLYCOSYLASE

(Homo sapiens) 		PF03167
(UDG) 		3 LEU A 181
LEU A 292
PHE A 189
 None
 0.71A 2pgrA-2d07A:
undetectable		 2pgrA-2d07A:
18.57
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.
2d7i POLYPEPTIDE
N-ACETYLGALACTOSAMIN
YLTRANSFERASE 10

(Homo sapiens) 		PF00535
(Glycos_transf_2)
PF00652
(Ricin_B_lectin) 		3 LEU A 555
LEU A 485
PHE A 589
 None
 0.59A 2pgrA-2d7iA:
undetectable		 2pgrA-2d7iA:
20.64
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.
2dwg PROTEIN RUFY3

(Mus musculus) 		PF02759
(RUN) 		3 LEU A 230
LEU A 217
PHE A 122
 None
 0.65A 2pgrA-2dwgA:
undetectable		 2pgrA-2dwgA:
20.43
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.
2es3 THROMBOSPONDIN-1

(Homo sapiens) 		PF02210
(Laminin_G_2) 		3 LEU A  89
LEU A  72
PHE A  57
 None
 0.60A 2pgrA-2es3A:
undetectable		 2pgrA-2es3A:
20.49
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.
2f9y ACETYL-COA
CARBOXYLASE,
CARBOXYLTRANSFERASE
ALPHA CHAIN

(Escherichia
coli) 		PF03255
(ACCA) 		3 LEU A  58
LEU A 272
PHE A   8
 None
 0.62A 2pgrA-2f9yA:
undetectable		 2pgrA-2f9yA:
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.
2fbl HYPOTHETICAL PROTEIN
NE1496

(Nitrosomonas
europaea) 		PF01928
(CYTH) 		3 LEU A  91
LEU A  18
PHE A 131
 None
 0.72A 2pgrA-2fblA:
undetectable		 2pgrA-2fblA:
18.11
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.
2fic BRIDGING INTEGRATOR
1

(Homo sapiens) 		PF03114
(BAR) 		3 LEU A  71
LEU A  79
PHE A 221
 None
 0.73A 2pgrA-2ficA:
undetectable		 2pgrA-2ficA:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ft3 BIGLYCAN

(Bos taurus) 		PF01462
(LRRNT)
PF13855
(LRR_8) 		3 LEU A  83
LEU A 114
PHE A  74
 None
 0.69A 2pgrA-2ft3A:
undetectable		 2pgrA-2ft3A:
22.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2g5t DIPEPTIDYL PEPTIDASE
4

(Homo sapiens) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		3 LEU A 561
LEU A  57
PHE A 559
 None
 0.70A 2pgrA-2g5tA:
undetectable		 2pgrA-2g5tA:
18.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2g85 CHORISMATE SYNTHASE

(Mycobacterium
tuberculosis) 		PF01264
(Chorismate_synt) 		3 LEU A 159
LEU A 244
PHE A 370
 None
 0.73A 2pgrA-2g85A:
undetectable		 2pgrA-2g85A:
19.33
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.
2gu2 ASPA PROTEIN

(Rattus
norvegicus) 		PF04952
(AstE_AspA) 		3 LEU A  68
LEU A  85
PHE A  72
 None
 0.73A 2pgrA-2gu2A:
undetectable		 2pgrA-2gu2A:
22.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hdo PHOSPHOGLYCOLATE
PHOSPHATASE

(Lactobacillus
plantarum) 		PF13419
(HAD_2) 		3 LEU A 206
LEU A 100
PHE A 197
 None
 0.53A 2pgrA-2hdoA:
undetectable		 2pgrA-2hdoA:
19.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hdx SH2-B PH DOMAIN
CONTAINING SIGNALING
MEDIATOR 1 GAMMA
ISOFORM

(Mus musculus) 		PF00017
(SH2) 		3 LEU A 577
LEU A 581
PHE A 604
 None
 0.71A 2pgrA-2hdxA:
undetectable		 2pgrA-2hdxA:
17.76
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.
2hly HYPOTHETICAL PROTEIN
ATU2299

(Agrobacterium
fabrum) 		PF09641
(DUF2026) 		3 LEU A  45
LEU A 123
PHE A 100
 None
 0.56A 2pgrA-2hlyA:
undetectable		 2pgrA-2hlyA:
18.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hr7 INSULIN RECEPTOR

(Homo sapiens) 		PF00757
(Furin-like)
PF01030
(Recep_L_domain) 		3 LEU A  17
LEU A  33
PHE A  46
 None
None
GOL  A 610 (-4.9A)
 0.58A 2pgrA-2hr7A:
undetectable		 2pgrA-2hr7A:
21.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hr7 INSULIN RECEPTOR

(Homo sapiens) 		PF00757
(Furin-like)
PF01030
(Recep_L_domain) 		3 LEU A 368
LEU A 408
PHE A 382
 None
 0.72A 2pgrA-2hr7A:
undetectable		 2pgrA-2hr7A:
21.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hxr HTH-TYPE
TRANSCRIPTIONAL
REGULATOR CYNR

(Escherichia
coli) 		PF03466
(LysR_substrate) 		3 LEU A  93
LEU A 267
PHE A 113
 None
 0.73A 2pgrA-2hxrA:
undetectable		 2pgrA-2hxrA:
21.08
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.
2iag PROSTACYCLIN
SYNTHASE

(Homo sapiens) 		PF00067
(p450) 		3 LEU A 214
LEU A 173
PHE A 108
 None
 0.72A 2pgrA-2iagA:
undetectable		 2pgrA-2iagA:
18.18
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.
2ip4 PHOSPHORIBOSYLAMINE-
-GLYCINE LIGASE

(Thermus
thermophilus) 		PF01071
(GARS_A)
PF02843
(GARS_C)
PF02844
(GARS_N) 		3 LEU A  15
LEU A  88
PHE A 282
 None
 0.68A 2pgrA-2ip4A:
undetectable		 2pgrA-2ip4A:
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.
2m64 PHLP5

(Phleum pratense) 		PF01620
(Pollen_allerg_2) 		3 LEU A  78
LEU A 129
PHE A  93
 None
 0.73A 2pgrA-2m64A:
undetectable		 2pgrA-2m64A:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2m9p SERINE PROTEASE
SUBUNIT NS2B, SERINE
PROTEASE NS3

(Dengue virus) 		PF00949
(Peptidase_S7)
PF01002
(Flavi_NS2B) 		3 LEU A   8
LEU A 161
PHE A 107
 None
 0.68A 2pgrA-2m9pA:
undetectable		 2pgrA-2m9pA:
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.
2o7q BIFUNCTIONAL
3-DEHYDROQUINATE
DEHYDRATASE/SHIKIMAT
E DEHYDROGENASE

(Arabidopsis
thaliana) 		PF01487
(DHquinase_I)
PF01488
(Shikimate_DH)
PF08501
(Shikimate_dh_N) 		3 LEU A 289
LEU A 148
PHE A 291
 None
None
DHK  A9241 (-3.4A)
 0.61A 2pgrA-2o7qA:
3.7		 2pgrA-2o7qA:
23.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2o8e DNA MISMATCH REPAIR
PROTEIN MSH6

(Homo sapiens) 		PF00488
(MutS_V)
PF01624
(MutS_I)
PF05188
(MutS_II)
PF05190
(MutS_IV)
PF05192
(MutS_III) 		3 LEU B 684
LEU B 638
PHE B 706
 None
 0.46A 2pgrA-2o8eB:
undetectable		 2pgrA-2o8eB:
17.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ong 4S-LIMONENE SYNTHASE

(Mentha spicata) 		PF01397
(Terpene_synth)
PF03936
(Terpene_synth_C) 		3 LEU A 200
LEU A 207
PHE A 186
 None
 0.73A 2pgrA-2ongA:
undetectable		 2pgrA-2ongA:
20.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ong 4S-LIMONENE SYNTHASE

(Mentha spicata) 		PF01397
(Terpene_synth)
PF03936
(Terpene_synth_C) 		3 LEU A 478
LEU A 416
PHE A 558
 None
 0.69A 2pgrA-2ongA:
undetectable		 2pgrA-2ongA:
20.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2p1n TRANSPORT INHIBITOR
RESPONSE 1 PROTEIN

(Arabidopsis
thaliana) 		PF12937
(F-box-like) 		3 LEU B 186
LEU B 218
PHE B 179
 None
 0.66A 2pgrA-2p1nB:
undetectable		 2pgrA-2p1nB:
20.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pth PEPTIDYL-TRNA
HYDROLASE

(Escherichia
coli) 		PF01195
(Pept_tRNA_hydro) 		3 LEU A  30
LEU A   4
PHE A  26
 None
 0.73A 2pgrA-2pthA:
undetectable		 2pgrA-2pthA:
20.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2q9t DING

(Pseudomonas
fluorescens) 		PF12849
(PBP_like_2) 		3 LEU A 155
LEU A 180
PHE A 151
 None
 0.71A 2pgrA-2q9tA:
undetectable		 2pgrA-2q9tA:
20.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qas HYPOTHETICAL PROTEIN

(Caulobacter
vibrioides) 		PF04386
(SspB) 		3 LEU A 119
LEU A  29
PHE A 117
 None
 0.69A 2pgrA-2qasA:
undetectable		 2pgrA-2qasA:
15.82
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.
2qaz SSPB PROTEIN

(Caulobacter
vibrioides) 		PF04386
(SspB) 		3 LEU A 119
LEU A  29
PHE A 117
 None
 0.71A 2pgrA-2qazA:
undetectable		 2pgrA-2qazA:
16.10
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.
2r8b UNCHARACTERIZED
PROTEIN ATU2452

(Agrobacterium
fabrum) 		PF01738
(DLH) 		3 LEU A 242
LEU A 169
PHE A  63
 None
 0.73A 2pgrA-2r8bA:
undetectable		 2pgrA-2r8bA:
20.94