SIMILAR PATTERNS OF AMINO ACIDS FOR 2PGF_A_ADNA501_1

List of similar pattern of amino acids derived from ASSAM search

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

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1g0d PROTEIN-GLUTAMINE
GAMMA-GLUTAMYLTRANSF
ERASE

(Pagrus major) 		PF00868
(Transglut_N)
PF00927
(Transglut_C)
PF01841
(Transglut_core) 		5 ASP A 303
HIS A 300
GLU A 393
HIS A 332
ASP A 355
 None
 1.27A 2pgfA-1g0dA:
undetectable		 2pgfA-1g0dA:
19.68
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.
1k0f PERIPLASMIC
ZINC-BINDING PROTEIN
TROA

(Treponema
pallidum) 		PF01297
(ZnuA) 		5 HIS A  68
GLY A 218
SER A 278
ASP A 279
ASP A  66
 None
 1.10A 2pgfA-1k0fA:
undetectable		 2pgfA-1k0fA:
19.69
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.
1krm ADENOSINE DEAMINASE

(Bos taurus) 		PF00962
(A_deaminase) 		7 HIS A  14
ASP A  16
GLY A 181
HIS A 211
HIS A 235
SER A 262
ASP A 293
 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)
None
PRH  A 401 (-3.5A)
 0.80A 2pgfA-1krmA:
40.5		 2pgfA-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  14
PHE A  58
GLY A 181
HIS A 211
GLU A 214
HIS A 235
SER A 262
ASP A 292
ASP A 293
 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)
None
PRH  A 401 ( 2.5A)
PRH  A 401 (-3.5A)
 0.48A 2pgfA-1krmA:
40.5		 2pgfA-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)
 1.20A 2pgfA-1lmeA:
undetectable		 2pgfA-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.
1o2d ALCOHOL
DEHYDROGENASE,
IRON-CONTAINING

(Thermotoga
maritima) 		PF00465
(Fe-ADH) 		5 HIS A 270
GLY A 259
HIS A 256
GLU A 196
ASP A 189
 FE  A 900 ( 3.4A)
None
FE  A 900 (-4.4A)
None
FE  A 900 ( 2.5A)
 1.22A 2pgfA-1o2dA:
undetectable		 2pgfA-1o2dA:
25.45
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.
1o2d ALCOHOL
DEHYDROGENASE,
IRON-CONTAINING

(Thermotoga
maritima) 		PF00465
(Fe-ADH) 		5 ILE A 149
ASP A 100
GLY A  96
SER A 185
ASP A 189
 NAP  A1800 (-3.9A)
NAP  A1800 (-2.8A)
NAP  A1800 (-3.3A)
None
FE  A 900 ( 2.5A)
 1.25A 2pgfA-1o2dA:
undetectable		 2pgfA-1o2dA:
25.45
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.
1p1m HYPOTHETICAL PROTEIN
TM0936

(Thermotoga
maritima) 		PF01979
(Amidohydro_1) 		5 HIS A  57
ASP A 113
HIS A 200
SER A 283
ASP A 279
 NI  A9001 (-3.3A)
None
NI  A9001 (-3.4A)
None
NI  A9001 (-2.6A)
 1.43A 2pgfA-1p1mA:
21.4		 2pgfA-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.
1r2f PROTEIN
(RIBONUCLEOTIDE
REDUCTASE R2)

(Salmonella
enterica) 		PF00268
(Ribonuc_red_sm) 		5 HIS A 101
PHE A 162
HIS A 195
GLU A 158
ASP A  67
 FE  A 400 (-3.4A)
FE  A 400 ( 4.7A)
FE  A 401 (-3.3A)
FE  A 401 (-1.7A)
FE  A 400 (-3.0A)
 1.23A 2pgfA-1r2fA:
undetectable		 2pgfA-1r2fA:
21.68
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.
1r3n BETA-ALANINE
SYNTHASE

(Lachancea
kluyveri) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		5 HIS A 114
ASP A 116
GLY A 129
HIS A 226
SER A 399
 ZN  A 500 (-3.2A)
None
None
ZN  A 500 (-3.2A)
None
 1.43A 2pgfA-1r3nA:
undetectable		 2pgfA-1r3nA:
20.71
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.
1uio ADENOSINE DEAMINASE

(Mus musculus) 		PF00962
(A_deaminase) 		5 HIS A  17
ASP A  19
HIS A  15
SER A 265
ASP A 296
 HPR  A 353 ( 3.1A)
HPR  A 353 (-2.7A)
ZN  A 400 (-3.4A)
HPR  A 353 ( 4.8A)
HPR  A 353 (-2.6A)
 1.39A 2pgfA-1uioA:
41.7		 2pgfA-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) 		9 HIS A  17
ASP A  19
PHE A  61
GLY A 184
HIS A 214
GLU A 217
SER A 265
ASP A 295
ASP A 296
 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 ( 4.8A)
HPR  A 353 ( 2.5A)
HPR  A 353 (-2.6A)
 0.48A 2pgfA-1uioA:
41.7		 2pgfA-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.
1ypx PUTATIVE VITAMIN-B12
INDEPENDENT
METHIONINE SYNTHASE
FAMILY PROTEIN

(Listeria
monocytogenes) 		PF01717
(Meth_synt_2) 		5 PHE A 270
ASP A 267
GLY A 268
SER A 331
ASP A  10
 None
 1.24A 2pgfA-1ypxA:
4.4		 2pgfA-1ypxA:
22.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2a3l AMP DEAMINASE

(Arabidopsis
thaliana) 		PF00962
(A_deaminase) 		6 ASP A 601
HIS A 659
HIS A 681
SER A 708
ASP A 736
ASP A 737
 None
ZN  A 840 ( 3.1A)
CF5  A 841 (-4.2A)
CF5  A 841 (-3.6A)
CF5  A 841 ( 2.5A)
CF5  A 841 (-2.5A)
 1.47A 2pgfA-2a3lA:
20.8		 2pgfA-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 393
HIS A 659
GLU A 662
HIS A 681
SER A 708
ASP A 736
ASP A 737
 ZN  A 840 ( 3.2A)
ZN  A 840 ( 3.1A)
CF5  A 841 (-2.6A)
CF5  A 841 (-4.2A)
CF5  A 841 (-3.6A)
CF5  A 841 ( 2.5A)
CF5  A 841 (-2.5A)
 0.74A 2pgfA-2a3lA:
20.8		 2pgfA-2a3lA:
21.11
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  55
GLY A 213
GLU A 242
SER A 293
ASP A 323
 CO  A1000 (-3.3A)
None
UNX  A2004 ( 4.8A)
None
CO  A1000 (-2.7A)
 1.29A 2pgfA-2amxA:
56.9		 2pgfA-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) 		8 HIS A  57
ASP A  59
GLY A 213
GLU A 242
HIS A 266
SER A 293
ASP A 323
ASP A 324
 CO  A1000 (-3.2A)
None
None
UNX  A2004 ( 4.8A)
None
None
CO  A1000 (-2.7A)
None
 0.89A 2pgfA-2amxA:
56.9		 2pgfA-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  57
ASP A  59
ILE A 183
GLY A 214
HIS A 239
GLU A 242
HIS A 266
SER A 293
ASP A 323
ASP A 324
 CO  A1000 (-3.2A)
None
None
None
CO  A1000 (-3.4A)
UNX  A2004 ( 4.8A)
None
None
CO  A1000 (-2.7A)
None
 0.32A 2pgfA-2amxA:
56.9		 2pgfA-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  57
ASP A  59
PHE A 101
ILE A 183
HIS A 239
GLU A 242
HIS A 266
SER A 293
ASP A 323
ASP A 324
 CO  A1000 (-3.2A)
None
UNX  A2004 ( 4.8A)
None
CO  A1000 (-3.4A)
UNX  A2004 ( 4.8A)
None
None
CO  A1000 (-2.7A)
None
 0.44A 2pgfA-2amxA:
56.9		 2pgfA-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.
2dkj SERINE
HYDROXYMETHYLTRANSFE
RASE

(Thermus
thermophilus) 		PF00464
(SHMT) 		5 PHE A 131
GLY A 126
HIS A 125
HIS A 122
SER A  95
 None
None
PLP  A 510 ( 4.7A)
PLP  A 510 (-3.5A)
PLP  A 510 (-2.7A)
 1.34A 2pgfA-2dkjA:
undetectable		 2pgfA-2dkjA:
23.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2eb0 MANGANESE-DEPENDENT
INORGANIC
PYROPHOSPHATASE

(Methanocaldococcus
jannaschii) 		PF01368
(DHH)
PF02833
(DHHA2) 		5 HIS A  88
ASP A  87
SER A 146
ASP A 147
ASP A  13
 MN  A 502 (-3.6A)
None
None
MN  A 502 (-2.6A)
MN  A 502 (-3.2A)
 1.44A 2pgfA-2eb0A:
undetectable		 2pgfA-2eb0A:
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.
2g80 PROTEIN UTR4

(Saccharomyces
cerevisiae) 		no annotation 5 ILE A 169
ASP A 168
GLY A 134
GLU A  27
ASP A  25
 None
None
None
None
MG  A 500 (-2.6A)
 1.40A 2pgfA-2g80A:
undetectable		 2pgfA-2g80A:
22.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2i9u CYTOSINE/GUANINE
DEAMINASE RELATED
PROTEIN

(Clostridium
acetobutylicum) 		PF01979
(Amidohydro_1) 		5 HIS A  73
HIS A 229
GLU A 232
SER A 294
ASP A 320
 FE  A 501 (-3.4A)
GUN  A 503 ( 3.5A)
GUN  A 503 (-3.1A)
GUN  A 503 ( 4.3A)
FE  A 501 ( 2.7A)
 1.41A 2pgfA-2i9uA:
22.3		 2pgfA-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.
2i9u CYTOSINE/GUANINE
DEAMINASE RELATED
PROTEIN

(Clostridium
acetobutylicum) 		PF01979
(Amidohydro_1) 		6 HIS A  75
HIS A 229
GLU A 232
HIS A 269
SER A 294
ASP A 320
 FE  A 501 ( 3.6A)
GUN  A 503 ( 3.5A)
GUN  A 503 (-3.1A)
GUN  A 503 ( 4.4A)
GUN  A 503 ( 4.3A)
FE  A 501 ( 2.7A)
 0.38A 2pgfA-2i9uA:
22.3		 2pgfA-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  99
PHE A 113
HIS A 238
HIS A 301
SER A 326
ASP A 352
 ZN  A 500 (-3.2A)
None
ZN  A 500 (-3.2A)
None
None
ZN  A 500 (-3.9A)
 0.96A 2pgfA-2imrA:
18.5		 2pgfA-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.
2iou MAJOR TROPISM
DETERMINANT P1

(Bordetella
virus BPP1) 		no annotation 5 ASP A 275
ILE A 212
ASP A 214
GLY A 370
SER A 351
 None
 1.40A 2pgfA-2iouA:
undetectable		 2pgfA-2iouA:
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.
2ood BLR3880 PROTEIN

(Bradyrhizobium
diazoefficiens) 		PF01979
(Amidohydro_1) 		6 HIS A  81
HIS A 234
GLU A 237
HIS A 273
SER A 298
ASP A 326
 ZN  A 500 ( 3.3A)
GUN  A 600 ( 2.8A)
GUN  A 600 (-2.8A)
GUN  A 600 (-3.9A)
GUN  A 600 ( 4.6A)
GUN  A 600 ( 2.5A)
 0.38A 2pgfA-2oodA:
21.3		 2pgfA-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.
2paj PUTATIVE
CYTOSINE/GUANINE
DEAMINASE

(unidentified) 		PF01979
(Amidohydro_1) 		5 HIS A  78
HIS A 248
HIS A 285
SER A 310
ASP A 336
 ZN  A 493 (-3.2A)
ZN  A 493 (-3.2A)
ZN  A 493 (-3.5A)
None
ZN  A 493 (-2.9A)
 0.86A 2pgfA-2pajA:
20.8		 2pgfA-2pajA:
18.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2q3o 12-OXOPHYTODIENOATE
REDUCTASE 3

(Arabidopsis
thaliana) 		PF00724
(Oxidored_FMN) 		5 HIS A 189
ASP A 194
GLY A 187
HIS A 186
GLU A 184
 FMN  A7401 (-4.4A)
None
None
FMN  A7401 (-3.3A)
None
 1.22A 2pgfA-2q3oA:
7.3		 2pgfA-2q3oA:
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.
2q9u A-TYPE FLAVOPROTEIN

(Giardia
intestinalis) 		no annotation 5 HIS A  85
ASP A 155
GLY A  88
HIS A 230
ASP A 171
 FEO  A 701 (-3.5A)
None
None
FEO  A 701 ( 3.3A)
FEO  A 701 ( 2.5A)
 1.43A 2pgfA-2q9uA:
undetectable		 2pgfA-2q9uA:
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.
2qpx PREDICTED
METAL-DEPENDENT
HYDROLASE OF THE
TIM-BARREL FOLD

(Lactobacillus
paracasei) 		PF04909
(Amidohydro_2) 		5 ASP A 232
GLY A 231
HIS A 227
SER A 286
ASP A 317
 None
None
ZN  A 377 (-3.1A)
None
ZN  A 376 (-2.6A)
 1.40A 2pgfA-2qpxA:
13.0		 2pgfA-2qpxA:
22.80
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.
2qt3 N-ISOPROPYLAMMELIDE
ISOPROPYL
AMIDOHYDROLASE

(Pseudomonas sp.
ADP) 		PF01979
(Amidohydro_1) 		5 HIS A  62
ASP A  64
HIS A 217
HIS A 249
ASP A 303
 ZN  A 501 (-3.3A)
None
ZN  A 501 (-3.5A)
None
ZN  A 501 (-3.2A)
 0.58A 2pgfA-2qt3A:
21.7		 2pgfA-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.
2r2i GUANYLYL
CYCLASE-ACTIVATING
PROTEIN 1

(Gallus gallus) 		PF00036
(EF-hand_1)
PF13499
(EF-hand_7) 		5 HIS A 176
ASP A 166
GLU A  10
SER A  13
ASP A 173
 None
 1.35A 2pgfA-2r2iA:
undetectable		 2pgfA-2r2iA:
22.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vhl N-ACETYLGLUCOSAMINE-
6-PHOSPHATE
DEACETYLASE

(Bacillus
subtilis) 		PF01979
(Amidohydro_1) 		5 HIS A  65
ASP A  71
ILE A 100
HIS A 223
ASP A 281
 FE  A1397 (-3.3A)
None
None
FE  A1398 (-3.3A)
FE  A1397 ( 2.7A)
 1.23A 2pgfA-2vhlA:
15.3		 2pgfA-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.
2vqx METALLOPROTEINASE

(Serratia
proteamaculans) 		PF01447
(Peptidase_M4)
PF02868
(Peptidase_M4_C)
PF16485
(PLN_propep) 		5 ILE A 212
ASP A 158
GLY A 161
HIS A 162
HIS A 166
 None
None
None
ZN  A1342 (-3.4A)
ZN  A1342 (-3.3A)
 1.38A 2pgfA-2vqxA:
undetectable		 2pgfA-2vqxA:
24.09
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.
2vw8 PA1000

(Pseudomonas
aeruginosa) 		PF00753
(Lactamase_B) 		5 HIS A  69
ASP A 162
GLY A  39
HIS A 221
ASP A 178
 FE2  A 402 (-3.4A)
None
None
FE2  A 401 ( 3.4A)
FE2  A 401 (-2.5A)
 1.23A 2pgfA-2vw8A:
undetectable		 2pgfA-2vw8A:
18.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ww2 ALPHA-1,2-MANNOSIDAS
E

(Bacteroides
thetaiotaomicron) 		PF07971
(Glyco_hydro_92) 		5 ASP A 234
GLY A  70
HIS A 114
SER A 102
ASP A 169
 None
 1.14A 2pgfA-2ww2A:
undetectable		 2pgfA-2ww2A:
19.11
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.
2wzs PUTATIVE
ALPHA-1,2-MANNOSIDAS
E

(Bacteroides
thetaiotaomicron) 		PF07971
(Glyco_hydro_92) 		5 ILE A  89
GLU A 585
HIS A 584
ASP A 642
ASP A 644
 None
MVL  A 801 (-4.0A)
None
None
CA  A 800 ( 2.8A)
 1.36A 2pgfA-2wzsA:
undetectable		 2pgfA-2wzsA:
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.
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)
 1.11A 2pgfA-2xr1A:
undetectable		 2pgfA-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) 		5 HIS A  82
HIS A 238
GLU A 241
SER A 302
ASP A 328
 ZN  A1452 (-3.3A)
ZN  A1452 (-3.2A)
None
None
ZN  A1452 (-2.8A)
 1.42A 2pgfA-3e0lA:
21.6		 2pgfA-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) 		6 HIS A  84
HIS A 238
GLU A 241
HIS A 277
SER A 302
ASP A 328
 ZN  A1452 (-3.1A)
ZN  A1452 (-3.2A)
None
None
None
ZN  A1452 (-2.8A)
 0.37A 2pgfA-3e0lA:
21.6		 2pgfA-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) 		5 HIS A  42
GLY A 199
GLU A 228
SER A 279
ASP A 309
 ZN  A 371 (-3.3A)
MCF  A 372 ( 3.9A)
MCF  A 372 (-2.8A)
MCF  A 372 ( 4.7A)
MCF  A 372 ( 2.4A)
 1.29A 2pgfA-3ewdA:
62.6		 2pgfA-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) 		8 HIS A  44
ASP A  46
GLY A 199
GLU A 228
HIS A 252
SER A 279
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 ( 4.7A)
MCF  A 372 ( 2.4A)
MCF  A 372 (-2.9A)
 0.87A 2pgfA-3ewdA:
62.6		 2pgfA-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) 		11 HIS A  44
ASP A  46
PHE A  88
ILE A 170
GLY A 200
HIS A 225
GLU A 228
HIS A 252
SER A 279
ASP A 309
ASP A 310
 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 ( 4.7A)
MCF  A 372 ( 2.4A)
MCF  A 372 (-2.9A)
 0.22A 2pgfA-3ewdA:
62.6		 2pgfA-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) 		6 HIS A  44
ILE A 170
GLY A 200
HIS A 225
SER A 279
ASP A 310
 MCF  A 372 ( 3.3A)
None
MCF  A 372 (-3.4A)
ZN  A 371 ( 3.4A)
MCF  A 372 ( 4.7A)
MCF  A 372 (-2.9A)
 1.32A 2pgfA-3ewdA:
62.6		 2pgfA-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) 		6 HIS A  63
ASP A  65
HIS A 214
GLU A 217
HIS A 246
ASP A 313
 FE  A 502 (-3.1A)
None
FE  A 502 (-3.6A)
None
FE  A 502 ( 4.8A)
FE  A 502 (-3.2A)
 0.44A 2pgfA-3g77A:
23.3		 2pgfA-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) 		6 HIS A  63
ASP A 124
HIS A 214
GLU A 217
HIS A 246
ASP A 313
 FE  A 502 (-3.1A)
None
FE  A 502 (-3.6A)
None
FE  A 502 ( 4.8A)
FE  A 502 (-3.2A)
 0.86A 2pgfA-3g77A:
23.3		 2pgfA-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.
3giu PYRROLIDONE-CARBOXYL
ATE PEPTIDASE

(Staphylococcus
aureus) 		PF01470
(Peptidase_C15) 		5 HIS A 103
ASP A 105
GLY A 149
HIS A 147
HIS A 143
 None
 1.36A 2pgfA-3giuA:
undetectable		 2pgfA-3giuA:
20.48
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.
3h3e UNCHARACTERIZED
PROTEIN TM1679

(Thermotoga
maritima) 		PF00753
(Lactamase_B) 		5 HIS A 224
ASP A   9
GLY A  33
HIS A  62
HIS A  57
 None
None
None
ZN  A 256 ( 4.8A)
ZN  A 256 (-3.5A)
 1.40A 2pgfA-3h3eA:
undetectable		 2pgfA-3h3eA:
25.38
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.
3hc1 UNCHARACTERIZED HDOD
DOMAIN PROTEIN

(Geobacter
sulfurreducens) 		PF08668
(HDOD) 		5 HIS A 192
PHE A 247
HIS A 216
HIS A 151
SER A 122
 FE  A 305 (-3.5A)
None
FE  A 305 (-3.4A)
FE  A 306 (-3.5A)
None
 1.37A 2pgfA-3hc1A:
undetectable		 2pgfA-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.
3hc1 UNCHARACTERIZED HDOD
DOMAIN PROTEIN

(Geobacter
sulfurreducens) 		PF08668
(HDOD) 		5 HIS A 192
PHE A 247
HIS A 217
SER A 122
ASP A 152
 FE  A 305 (-3.5A)
None
FE  A 305 (-3.3A)
None
FE  A 306 ( 2.5A)
 1.27A 2pgfA-3hc1A:
undetectable		 2pgfA-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.
3hgo 12-OXOPHYTODIENOATE
REDUCTASE 3

(Solanum
lycopersicum) 		PF00724
(Oxidored_FMN) 		5 HIS A 188
ASP A 193
GLY A 186
HIS A 185
GLU A 183
 FMN  A 401 (-4.3A)
None
None
FMN  A 401 (-3.4A)
None
 1.23A 2pgfA-3hgoA:
6.1		 2pgfA-3hgoA:
22.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lgg ADENOSINE DEAMINASE
CECR1

(Homo sapiens) 		PF00962
(A_deaminase)
PF08451
(A_deaminase_N) 		9 HIS A  88
ASP A  89
GLY A 300
HIS A 330
GLU A 333
HIS A 358
SER A 385
ASP A 415
ASP A 416
 CFE  A 513 ( 3.3A)
CFE  A 513 (-3.0A)
CFE  A 513 (-3.3A)
ZN  A 512 ( 3.5A)
CFE  A 513 (-3.0A)
CFE  A 513 ( 4.3A)
CFE  A 513 ( 4.5A)
CFE  A 513 ( 2.8A)
CFE  A 513 (-2.8A)
 0.64A 2pgfA-3lggA:
35.1		 2pgfA-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.
3lgg ADENOSINE DEAMINASE
CECR1

(Homo sapiens) 		PF00962
(A_deaminase)
PF08451
(A_deaminase_N) 		9 HIS A  88
ASP A  89
PHE A 181
GLY A 300
HIS A 330
HIS A 358
SER A 385
ASP A 415
ASP A 416
 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 ( 4.3A)
CFE  A 513 ( 4.5A)
CFE  A 513 ( 2.8A)
CFE  A 513 (-2.8A)
 0.72A 2pgfA-3lggA:
35.1		 2pgfA-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) 		5 HIS A  90
GLU A 246
HIS A 280
SER A 305
ASP A 331
 CA  A 471 (-3.6A)
None
None
None
CA  A 471 (-2.7A)
 0.56A 2pgfA-3lnpA:
21.8		 2pgfA-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.
3lnp AMIDOHYDROLASE
FAMILY PROTEIN
OLEI01672_1_465

(Oleispira
antarctica) 		PF01979
(Amidohydro_1) 		5 HIS A 243
GLU A 246
HIS A 280
SER A 305
ASP A 331
 CA  A 471 (-4.7A)
None
None
None
CA  A 471 (-2.7A)
 0.68A 2pgfA-3lnpA:
21.8		 2pgfA-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) 		5 HIS A  58
HIS A 232
GLU A 235
HIS A 269
ASP A 320
 ZN  A 454 ( 3.2A)
ZN  A 454 (-3.3A)
NGQ  A 455 (-2.9A)
None
ZN  A 454 (-2.9A)
 0.33A 2pgfA-3mduA:
22.4		 2pgfA-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.
3pao ADENOSINE DEAMINASE

(Pseudomonas
aeruginosa) 		PF00962
(A_deaminase) 		6 HIS A  18
ASP A 100
PHE A  59
HIS A 220
SER A 247
ASP A 277
 ADE  A 328 ( 3.0A)
None
None
ADE  A 328 ( 4.2A)
ADE  A 328 ( 4.5A)
ZN  A 327 ( 2.6A)
 1.24A 2pgfA-3paoA:
39.6		 2pgfA-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  18
PHE A  59
HIS A 196
GLU A 199
HIS A 220
SER A 247
ASP A 277
ASP A 278
 ADE  A 328 ( 3.0A)
None
ZN  A 327 ( 3.5A)
ADE  A 328 (-3.0A)
ADE  A 328 ( 4.2A)
ADE  A 328 ( 4.5A)
ZN  A 327 ( 2.6A)
ADE  A 328 (-2.8A)
 0.42A 2pgfA-3paoA:
39.6		 2pgfA-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)
 1.12A 2pgfA-3pm6A:
8.8		 2pgfA-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.
3rys ADENOSINE DEAMINASE
1

(Paenarthrobacter
aurescens) 		PF00962
(A_deaminase) 		6 HIS A  21
ASP A 103
PHE A  62
HIS A 223
SER A 250
ASP A 280
 ADE  A 345 ( 3.2A)
None
None
ADE  A 345 ( 4.2A)
ADE  A 345 ( 4.2A)
ZN  A 344 ( 2.5A)
 1.21A 2pgfA-3rysA:
39.4		 2pgfA-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  21
PHE A  62
HIS A 199
GLU A 202
HIS A 223
SER A 250
ASP A 280
ASP A 281
 ADE  A 345 ( 3.2A)
None
ZN  A 344 ( 3.4A)
ADE  A 345 (-2.8A)
ADE  A 345 ( 4.2A)
ADE  A 345 ( 4.2A)
ZN  A 344 ( 2.5A)
ADE  A 345 (-2.8A)
 0.38A 2pgfA-3rysA:
39.4		 2pgfA-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) 		5 HIS A  94
GLU A 240
HIS A 239
ASP A 289
ASP A 290
 UNX  A 608 ( 3.4A)
UNX  A 606 ( 3.0A)
UNX  A 606 ( 3.6A)
UNX  A 608 ( 2.4A)
None
 0.99A 2pgfA-3t8lA:
15.6		 2pgfA-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.
3taw HYPOTHETICAL
GLYCOSIDE HYDROLASE

(Parabacteroides
distasonis) 		PF04041
(Glyco_hydro_130) 		5 PHE A 353
ILE A 106
GLU A 235
SER A 208
ASP A 150
 UNL  A 388 ( 4.2A)
UNL  A 388 ( 4.8A)
UNL  A 387 ( 2.7A)
None
None
 1.44A 2pgfA-3tawA:
undetectable		 2pgfA-3tawA:
22.50
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.
3tc8 LEUCINE
AMINOPEPTIDASE

(Parabacteroides
distasonis) 		PF04389
(Peptidase_M28) 		5 HIS A 301
GLY A 182
GLU A 179
HIS A 122
ASP A 147
 ZN  A 350 ( 3.2A)
None
EDO  A 401 (-3.8A)
None
ZN  A 350 ( 2.3A)
 1.34A 2pgfA-3tc8A:
undetectable		 2pgfA-3tc8A:
20.71
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.
3ubd RIBOSOMAL PROTEIN S6
KINASE ALPHA-3

(Mus musculus) 		PF00069
(Pkinase) 		5 ASP A 250
PHE A 228
HIS A  55
SER A 215
ASP A 193
 None
 1.37A 2pgfA-3ubdA:
undetectable		 2pgfA-3ubdA:
22.98
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.
3v7p AMIDOHYDROLASE
FAMILY PROTEIN

(Nitratiruptor
sp. SB155-2) 		PF01979
(Amidohydro_1) 		6 HIS A  63
HIS A 206
GLU A 209
HIS A 257
SER A 282
ASP A 306
 FE  A 429 (-3.2A)
FE  A 429 (-3.3A)
UNL  A 436 ( 2.8A)
None
None
FE  A 429 (-3.1A)
 0.31A 2pgfA-3v7pA:
20.4		 2pgfA-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
GLY A 163
HIS A 390
HIS A 368
SER A 143
 ZN  A1556 (-3.2A)
None
ZN  A1556 (-3.4A)
None
None
 1.23A 2pgfA-3zq4A:
undetectable		 2pgfA-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.
3zq4 RIBONUCLEASE J 1

(Bacillus
subtilis) 		PF00753
(Lactamase_B)
PF07521
(RMMBL) 		5 HIS A 390
ILE A  20
HIS A  74
ASP A 164
ASP A 195
 ZN  A1556 (-3.4A)
None
ZN  A1557 (-3.0A)
ZN  A1556 ( 2.7A)
None
 1.30A 2pgfA-3zq4A:
undetectable		 2pgfA-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.
4bin N-ACETYLMURAMOYL-L-A
LANINE AMIDASE AMIC

(Escherichia
coli) 		PF01520
(Amidase_3)
PF11741
(AMIN) 		5 ILE A 305
GLY A 197
HIS A 196
HIS A 265
SER A 263
 None
None
ZN  A 500 (-3.4A)
ZN  A 500 (-3.3A)
None
 1.29A 2pgfA-4binA:
undetectable		 2pgfA-4binA:
22.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dzh AMIDOHYDROLASE

(Xanthomonas
campestris) 		PF01979
(Amidohydro_1) 		6 HIS A  80
HIS A 227
GLU A 230
HIS A 264
SER A 289
ASP A 315
 ZN  A 504 (-3.1A)
ZN  A 504 (-3.3A)
ZN  A 505 ( 4.2A)
ZN  A 505 ( 4.8A)
ZN  A 505 ( 4.0A)
ZN  A 505 ( 2.0A)
 0.36A 2pgfA-4dzhA:
21.5		 2pgfA-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.
4ege DIPEPTIDASE PEPE

(Mycobacterium
ulcerans) 		PF00557
(Peptidase_M24)
PF01321
(Creatinase_N) 		5 PHE A 200
ILE A 351
HIS A 306
HIS A 313
ASP A 230
 None
None
ZN  A 411 (-3.3A)
UNX  A 421 ( 4.9A)
ZN  A 412 (-2.1A)
 1.39A 2pgfA-4egeA:
undetectable		 2pgfA-4egeA:
20.47
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.
4f0l AMIDOHYDROLASE

(Brucella
abortus) 		PF01979
(Amidohydro_1) 		5 HIS A  63
HIS A 237
GLU A 240
HIS A 274
ASP A 325
 FE  A 501 (-3.4A)
FE  A 501 (-3.5A)
None
None
FE  A 501 (-2.8A)
 0.34A 2pgfA-4f0lA:
21.5		 2pgfA-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.
4fuu LEUCINE
AMINOPEPTIDASE

(Bacteroides
thetaiotaomicron) 		PF04389
(Peptidase_M28) 		5 HIS A 302
GLY A 184
GLU A 181
HIS A 124
ASP A 149
 ZN  A 403 (-3.1A)
None
UNL  A 401 ( 3.0A)
UNL  A 401 ( 4.4A)
ZN  A 403 (-2.3A)
 1.39A 2pgfA-4fuuA:
undetectable		 2pgfA-4fuuA:
21.92
Potential target for repurposing, i.e. matched protein structure has less than 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) 		6 HIS A  36
HIS A 215
GLU A 218
HIS A 240
ASP A 300
ASP A 301
 ZN  A 401 (-3.3A)
ZN  A 401 (-3.4A)
None
None
ZN  A 401 (-2.6A)
None
 0.50A 2pgfA-4gxwA:
38.4		 2pgfA-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) 		5 HIS A  14
ILE A 163
HIS A 195
HIS A 251
ASP A 323
 ZN  A 401 (-3.5A)
None
ZN  A 401 (-3.5A)
None
ZN  A 401 (-2.8A)
 1.21A 2pgfA-4hjwA:
13.1		 2pgfA-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.
4mln PREDICTED HD
PHOSPHOHYDROLASE
PHNZ

(uncultured
bacterium
HF130_AEPn_1) 		PF01966
(HD) 		5 HIS A  58
GLY A 164
HIS A  34
GLU A  27
SER A 126
 FE  A 201 (-3.2A)
None
FE  A 201 (-3.4A)
ODV  A 203 (-3.2A)
ODV  A 203 (-2.8A)
 1.25A 2pgfA-4mlnA:
undetectable		 2pgfA-4mlnA:
19.68
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.
4n7t PHOSPHOPENTOMUTASE

(Streptococcus
mutans) 		PF01676
(Metalloenzyme) 		5 ILE A 253
GLY A  95
HIS A 351
ASP A 298
ASP A  13
 TPO  A  92 ( 4.7A)
TPO  A  92 ( 3.9A)
MN  A 502 (-3.2A)
MN  A 502 (-2.2A)
MN  A 501 (-2.0A)
 1.24A 2pgfA-4n7tA:
undetectable		 2pgfA-4n7tA:
20.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4oxr MANGANESE ABC
TRANSPORTER,
PERIPLASMIC-BINDING
PROTEIN SITA

(Staphylococcus
pseudintermedius) 		PF01297
(ZnuA) 		5 HIS A  64
GLY A 204
HIS A 137
SER A 254
ASP A 278
 MN  A 401 (-3.4A)
None
MN  A 401 (-3.4A)
None
MN  A 401 (-2.0A)
 1.29A 2pgfA-4oxrA:
undetectable		 2pgfA-4oxrA:
25.07
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.
4q7a N-ACETYL-ORNITHINE/N
-ACETYL-LYSINE
DEACETYLASE

(Sphaerobacter
thermophilus) 		PF01546
(Peptidase_M20) 		5 HIS A 329
GLU A 126
HIS A  71
ASP A  95
ASP A 328
 None
None
None
None
SO4  A 401 ( 4.6A)
 1.26A 2pgfA-4q7aA:
undetectable		 2pgfA-4q7aA:
21.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4r85 CYTOSINE DEAMINASE

(Klebsiella
pneumoniae) 		PF07969
(Amidohydro_3) 		6 HIS A  58
ASP A  60
HIS A 209
GLU A 212
HIS A 241
ASP A 308
 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 2pgfA-4r85A:
23.1		 2pgfA-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) 		6 HIS A  58
ASP A 119
HIS A 209
GLU A 212
HIS A 241
ASP A 308
 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)
 0.92A 2pgfA-4r85A:
23.1		 2pgfA-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  68
HIS A 243
GLU A 246
HIS A 276
SER A 301
ASP A 327
 FE  A 481 (-3.9A)
FE  A 481 (-4.1A)
FE  A 481 ( 4.3A)
FE  A 481 (-3.9A)
None
FE  A 481 (-2.8A)
 0.56A 2pgfA-4v1yA:
21.6		 2pgfA-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.
4xuk PUTATIVE HYDROLASE

(Acinetobacter
sp. NBRC 100985) 		PF00753
(Lactamase_B) 		5 ILE A 266
GLY A 243
HIS A 248
GLU A 183
SER A 180
 None
 1.21A 2pgfA-4xukA:
undetectable		 2pgfA-4xukA:
21.60
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.
4xwt DR2417

(Deinococcus
radiodurans) 		PF00753
(Lactamase_B)
PF07521
(RMMBL) 		5 HIS A  89
GLY A 174
HIS A 403
HIS A 381
SER A 154
 ZN  A 602 (-3.3A)
None
ZN  A 602 (-3.2A)
U5P  A 606 (-3.9A)
U5P  A 606 (-3.4A)
 1.22A 2pgfA-4xwtA:
undetectable		 2pgfA-4xwtA:
20.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zo3 ACYLHOMOSERINE
LACTONASE

(Chryseobacterium
sp. StRB126) 		PF00753
(Lactamase_B) 		5 HIS A 305
PHE A 274
ILE A  95
HIS A 145
ASP A 258
 ZN  A 402 ( 3.3A)
C6L  A 403 (-4.7A)
None
ZN  A 401 (-3.3A)
ZN  A 402 (-2.3A)
 1.39A 2pgfA-4zo3A:
undetectable		 2pgfA-4zo3A:
23.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zo3 ACYLHOMOSERINE
LACTONASE

(Chryseobacterium
sp. StRB126) 		PF00753
(Lactamase_B) 		5 HIS A 305
PHE A 274
ILE A  95
HIS A 150
HIS A 145
 ZN  A 402 ( 3.3A)
C6L  A 403 (-4.7A)
None
ZN  A 402 (-3.2A)
ZN  A 401 (-3.3A)
 1.37A 2pgfA-4zo3A:
undetectable		 2pgfA-4zo3A:
23.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5a7v PUTATIVE GLYCOSIDASE
PH117-RELATED

(Bacteroides
thetaiotaomicron) 		PF04041
(Glyco_hydro_130) 		5 PHE B 344
ILE B  98
GLU B 227
SER B 200
ASP B 142
 MAN  B1386 ( 4.1A)
MAN  B1386 ( 4.9A)
MAN  B1386 (-3.7A)
MAN  B1386 ( 4.3A)
MAN  B1386 (-3.1A)
 1.42A 2pgfA-5a7vB:
undetectable		 2pgfA-5a7vB:
22.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dxx ARTEMISINIC ALDEHYDE
DELTA(11(13))
REDUCTASE

(Artemisia annua) 		PF00724
(Oxidored_FMN) 		5 HIS A 183
ASP A 188
GLY A 181
HIS A 180
GLU A 178
 FMN  A7401 (-4.5A)
None
None
FMN  A7401 (-3.4A)
None
 1.24A 2pgfA-5dxxA:
7.8		 2pgfA-5dxxA:
21.65
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.
5ed1 DOUBLE-STRANDED
RNA-SPECIFIC EDITASE
1

(Homo sapiens) 		PF02137
(A_deamin) 		5 HIS A 555
ASP A 453
GLU A 466
SER A 306
ASP A 554
 None
 1.37A 2pgfA-5ed1A:
undetectable		 2pgfA-5ed1A:
21.77
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.
5i4k MANGANESE-BINDING
LIPOPROTEIN MNTA

(Listeria
monocytogenes) 		PF01297
(ZnuA) 		5 HIS A  67
GLY A 207
HIS A 140
SER A 257
ASP A 281
 MN  A 501 (-3.4A)
None
MN  A 501 (-3.3A)
None
MN  A 501 (-2.0A)
 1.30A 2pgfA-5i4kA:
undetectable		 2pgfA-5i4kA:
23.50
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.
5i4k MANGANESE-BINDING
LIPOPROTEIN MNTA

(Listeria
monocytogenes) 		PF01297
(ZnuA) 		5 HIS A  67
ILE A 226
GLY A 207
HIS A 140
ASP A 281
 MN  A 501 (-3.4A)
None
None
MN  A 501 (-3.3A)
MN  A 501 (-2.0A)
 1.23A 2pgfA-5i4kA:
undetectable		 2pgfA-5i4kA:
23.50
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.
5it5 ATP BINDING
MOTIF-CONTAINING
PROTEIN PILF

(Thermus
thermophilus) 		no annotation 5 ASP F 523
ILE F 542
ASP F 543
GLY F 544
HIS F 528
 ATP  F 902 ( 4.9A)
None
None
None
None
 1.32A 2pgfA-5it5F:
undetectable		 2pgfA-5it5F:
22.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5k8k UDP-2,3-DIACYLGLUCOS
AMINE HYDROLASE

(Haemophilus
influenzae) 		PF00149
(Metallophos) 		5 HIS A 196
HIS A 115
SER A   8
ASP A   9
ASP A 215
 MN  A 301 ( 3.1A)
MN  A 301 ( 3.5A)
None
MN  A 302 ( 3.2A)
MN  A 302 ( 4.9A)
 1.11A 2pgfA-5k8kA:
undetectable		 2pgfA-5k8kA:
23.56
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.
5k8k UDP-2,3-DIACYLGLUCOS
AMINE HYDROLASE

(Haemophilus
influenzae) 		PF00149
(Metallophos) 		5 HIS A 198
HIS A 115
SER A   8
ASP A   9
ASP A 215
 LP5  A 303 ( 4.5A)
MN  A 301 ( 3.5A)
None
MN  A 302 ( 3.2A)
MN  A 302 ( 4.9A)
 1.10A 2pgfA-5k8kA:
undetectable		 2pgfA-5k8kA:
23.56
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.
5lun 2-OXOGLUTARATE-DEPEN
DENT
ETHYLENE/SUCCINATE-F
ORMING ENZYME

(Pseudomonas
savastanoi) 		PF03171
(2OG-FeII_Oxy)
PF14226
(DIOX_N) 		5 HIS A 189
PHE A 250
ILE A 186
SER A 265
ASP A 191
 FE  A 401 (-3.3A)
None
ARG  A 403 (-4.7A)
None
FE  A 401 (-2.4A)
 1.41A 2pgfA-5lunA:
undetectable		 2pgfA-5lunA:
20.84
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.
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
 1.06A 2pgfA-5xoyA:
undetectable		 2pgfA-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.
6byx SHORT ULVAN LYASE

(Alteromonas sp.
LOR) 		no annotation 5 PHE A  79
GLY A  81
HIS A 146
GLU A 144
HIS A 167
 None
 1.33A 2pgfA-6byxA:
undetectable		 2pgfA-6byxA:
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.
6eot DIPEPTIDYL PEPTIDASE
8

(Homo sapiens) 		no annotation 5 ASP A 278
ASP A 451
GLY A 523
GLU A 520
HIS A 709
 None
 1.42A 2pgfA-6eotA:
undetectable		 2pgfA-6eotA:
13.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6guo -

(-) 		no annotation 5 HIS A 163
ASP A  58
GLY A 284
HIS A 283
SER A 222
 None
 1.43A 2pgfA-6guoA:
undetectable		 2pgfA-6guoA:
undetectable