SIMILAR PATTERNS OF AMINO ACIDS FOR 1A4L_C_DCFC1353

List of similar pattern of amino acids derived from ASSAM search

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

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

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

(Homo sapiens) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 HIS A 980
HIS A1020
ALA A 166
HIS A 163
HIS A 101
 CU  A1050 (-3.0A)
CU  A1050 (-3.2A)
None
CU  A1050 (-3.3A)
CU  A1052 (-3.2A)
 1.29A 1a4lC-1kcwA:
undetectable		 1a4lC-1kcwA:
15.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kq0 METHIONINE
AMINOPEPTIDASE 2

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

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

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

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

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

(Bos taurus) 		PF00962
(A_deaminase) 		5 HIS A  14
PHE A 297
PHE A  58
HIS A  12
ASP A 293
 PRH  A 401 ( 3.0A)
None
None
ZN  A 501 ( 3.3A)
PRH  A 401 (-3.5A)
 1.27A 1a4lC-1krmA:
58.0		 1a4lC-1krmA:
84.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1p1m HYPOTHETICAL PROTEIN
TM0936

(Thermotoga
maritima) 		PF01979
(Amidohydro_1) 		6 HIS A  55
HIS A  57
HIS A 200
GLU A 203
HIS A 228
ASP A 279
 NI  A9001 (-3.3A)
NI  A9001 (-3.3A)
NI  A9001 (-3.4A)
None
None
NI  A9001 (-2.6A)
 0.54A 1a4lC-1p1mA:
21.4		 1a4lC-1p1mA:
25.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1r2f PROTEIN
(RIBONUCLEOTIDE
REDUCTASE R2)

(Salmonella
enterica) 		PF00268
(Ribonuc_red_sm) 		5 HIS A 101
PHE A 162
HIS A 195
GLU A 158
ASP A  67
 FE  A 400 (-3.4A)
FE  A 400 ( 4.7A)
FE  A 401 (-3.3A)
FE  A 401 (-1.7A)
FE  A 400 (-3.0A)
 1.22A 1a4lC-1r2fA:
undetectable		 1a4lC-1r2fA:
21.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1r3n BETA-ALANINE
SYNTHASE

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

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

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

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

(Mus musculus) 		PF00962
(A_deaminase) 		7 PHE A  61
PHE A  65
MET A 155
ALA A 183
HIS A  15
ASP A 295
ASP A 296
 HPR  A 353 (-4.6A)
HPR  A 353 (-3.9A)
HPR  A 353 (-4.1A)
HPR  A 353 (-3.2A)
ZN  A 400 (-3.4A)
HPR  A 353 ( 2.5A)
HPR  A 353 (-2.6A)
 1.47A 1a4lC-1uioA:
63.0		 1a4lC-1uioA:
99.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wkm METHIONINE
AMINOPEPTIDASE

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

(Arabidopsis
thaliana) 		PF00962
(A_deaminase) 		7 HIS A 391
HIS A 393
HIS A 659
GLU A 662
HIS A 681
ASP A 736
ASP A 737
 ZN  A 840 ( 3.2A)
ZN  A 840 ( 3.2A)
ZN  A 840 ( 3.1A)
CF5  A 841 (-2.6A)
CF5  A 841 (-4.2A)
CF5  A 841 ( 2.5A)
CF5  A 841 (-2.5A)
 0.72A 1a4lC-2a3lA:
20.8		 1a4lC-2a3lA:
18.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2adu METHIONINE
AMINOPEPTIDASE 2

(Homo sapiens) 		PF00557
(Peptidase_M24) 		5 PHE A 219
ALA A 362
HIS A 331
HIS A 339
ASP A 251
 R20  A 906 ( 3.8A)
CO  A 502 ( 3.8A)
CO  A 502 ( 3.2A)
R20  A 906 (-4.0A)
CO  A 501 ( 1.9A)
 1.21A 1a4lC-2aduA:
undetectable		 1a4lC-2aduA:
22.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2amx ADENOSINE DEAMINASE

(Plasmodium
yoelii) 		PF00962
(A_deaminase) 		9 HIS A  55
HIS A  57
ASP A  59
PHE A 101
HIS A 239
GLU A 242
HIS A 266
ASP A 323
ASP A 324
 CO  A1000 (-3.3A)
CO  A1000 (-3.2A)
None
UNX  A2004 ( 4.8A)
CO  A1000 (-3.4A)
UNX  A2004 ( 4.8A)
None
CO  A1000 (-2.7A)
None
 0.64A 1a4lC-2amxA:
39.8		 1a4lC-2amxA:
25.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2amx ADENOSINE DEAMINASE

(Plasmodium
yoelii) 		PF00962
(A_deaminase) 		5 HIS A  55
PHE A 328
PHE A 101
HIS A 266
ASP A 324
 CO  A1000 (-3.3A)
None
UNX  A2004 ( 4.8A)
None
None
 0.97A 1a4lC-2amxA:
39.8		 1a4lC-2amxA:
25.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2amx ADENOSINE DEAMINASE

(Plasmodium
yoelii) 		PF00962
(A_deaminase) 		5 HIS A 239
ASP A  59
HIS A  55
GLU A 288
ASP A 211
 CO  A1000 (-3.4A)
None
CO  A1000 (-3.3A)
None
None
 1.30A 1a4lC-2amxA:
39.8		 1a4lC-2amxA:
25.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bb0 IMIDAZOLONEPROPIONAS
E

(Bacillus
subtilis) 		PF01979
(Amidohydro_1) 		5 HIS A  80
HIS A  82
HIS A 249
GLU A 252
ASP A 324
 ZN  A1601 (-3.4A)
ZN  A1601 (-3.4A)
ZN  A1601 (-3.4A)
None
ZN  A1601 (-2.8A)
 0.67A 1a4lC-2bb0A:
20.4		 1a4lC-2bb0A:
21.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2i9u CYTOSINE/GUANINE
DEAMINASE RELATED
PROTEIN

(Clostridium
acetobutylicum) 		PF01979
(Amidohydro_1) 		6 HIS A  73
HIS A  75
HIS A 229
GLU A 232
HIS A 269
ASP A 320
 FE  A 501 (-3.4A)
FE  A 501 ( 3.6A)
GUN  A 503 ( 3.5A)
GUN  A 503 (-3.1A)
GUN  A 503 ( 4.4A)
FE  A 501 ( 2.7A)
 0.58A 1a4lC-2i9uA:
21.6		 1a4lC-2i9uA:
24.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2imr HYPOTHETICAL PROTEIN
DR_0824

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

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

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

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

(Streptococcus
pneumoniae) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		5 HIS A 431
GLU A 157
HIS A  90
ASP A 123
ASP A 430
 None
MN  A 460 ( 3.8A)
MN  A 460 (-3.7A)
MN  A 460 (-2.6A)
None
 1.31A 1a4lC-2pokA:
undetectable		 1a4lC-2pokA:
21.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pok PEPTIDASE,
M20/M25/M40 FAMILY

(Streptococcus
pneumoniae) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		5 HIS A 431
GLU A 184
HIS A  90
ASP A 123
ASP A 430
 None
MN  A 460 (-2.3A)
MN  A 460 (-3.7A)
MN  A 460 (-2.6A)
None
 1.15A 1a4lC-2pokA:
undetectable		 1a4lC-2pokA:
21.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2puz IMIDAZOLONEPROPIONAS
E

(Agrobacterium
fabrum) 		PF01979
(Amidohydro_1) 		5 HIS A  86
HIS A  88
HIS A 256
HIS A 279
ASP A 331
 FE  A 500 (-3.3A)
FE  A 500 (-3.3A)
FE  A 500 (-3.6A)
None
FE  A 500 (-2.8A)
 0.54A 1a4lC-2puzA:
19.1		 1a4lC-2puzA:
25.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2puz IMIDAZOLONEPROPIONAS
E

(Agrobacterium
fabrum) 		PF01979
(Amidohydro_1) 		5 HIS A  86
HIS A 279
PHE A 228
ALA A 304
HIS A  88
 FE  A 500 (-3.3A)
None
None
None
FE  A 500 (-3.3A)
 1.24A 1a4lC-2puzA:
19.1		 1a4lC-2puzA:
25.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2q09 IMIDAZOLONEPROPIONAS
E

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

(Pseudomonas sp.
ADP) 		PF01979
(Amidohydro_1) 		6 HIS A  60
HIS A  62
ASP A  64
HIS A 217
HIS A 249
ASP A 303
 ZN  A 501 (-3.3A)
ZN  A 501 (-3.3A)
None
ZN  A 501 (-3.5A)
None
ZN  A 501 (-3.2A)
 0.83A 1a4lC-2qt3A:
21.7		 1a4lC-2qt3A:
21.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vhl N-ACETYLGLUCOSAMINE-
6-PHOSPHATE
DEACETYLASE

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

(Thermus
thermophilus) 		PF02811
(PHP)
PF13263
(PHP_C) 		5 HIS A   7
HIS A  38
ASP A  46
HIS A 226
ASP A  37
 FE  A 503 (-3.4A)
ZN  A 501 (-3.2A)
None
ZN  A 501 (-3.3A)
None
 1.30A 1a4lC-2z4gA:
9.5		 1a4lC-2z4gA:
21.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bu7 GENTISATE
1,2-DIOXYGENASE

(Ruegeria
pomeroyi) 		PF07883
(Cupin_2) 		5 HIS A 160
PHE A 104
ALA A 123
HIS A 121
HIS A 119
 FE2  A 400 (-3.4A)
None
None
FE2  A 400 (-3.4A)
FE2  A 400 (-3.6A)
 1.13A 1a4lC-3bu7A:
undetectable		 1a4lC-3bu7A:
22.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dcp HISTIDINOL-PHOSPHATA
SE

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

(Homo sapiens) 		PF01979
(Amidohydro_1) 		6 HIS A  82
HIS A  84
HIS A 238
GLU A 241
HIS A 277
ASP A 328
 ZN  A1452 (-3.3A)
ZN  A1452 (-3.1A)
ZN  A1452 (-3.2A)
None
None
ZN  A1452 (-2.8A)
 0.56A 1a4lC-3e0lA:
21.3		 1a4lC-3e0lA:
23.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ewd ADENOSINE DEAMINASE

(Plasmodium
vivax) 		PF00962
(A_deaminase) 		9 HIS A  42
HIS A  44
ASP A  46
PHE A  88
HIS A 225
GLU A 228
HIS A 252
ASP A 309
ASP A 310
 ZN  A 371 (-3.3A)
MCF  A 372 ( 3.3A)
MCF  A 372 (-3.5A)
MCF  A 372 (-4.5A)
ZN  A 371 ( 3.4A)
MCF  A 372 (-2.8A)
MCF  A 372 (-4.1A)
MCF  A 372 ( 2.4A)
MCF  A 372 (-2.9A)
 0.51A 1a4lC-3ewdA:
42.3		 1a4lC-3ewdA:
26.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ewd ADENOSINE DEAMINASE

(Plasmodium
vivax) 		PF00962
(A_deaminase) 		5 HIS A 225
ASP A  46
HIS A  42
GLU A 274
ASP A 197
 ZN  A 371 ( 3.4A)
MCF  A 372 (-3.5A)
ZN  A 371 (-3.3A)
None
None
 1.29A 1a4lC-3ewdA:
42.3		 1a4lC-3ewdA:
26.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3g77 CYTOSINE DEAMINASE

(Escherichia
coli) 		PF07969
(Amidohydro_3) 		7 HIS A  61
HIS A  63
ASP A  65
HIS A 214
GLU A 217
HIS A 246
ASP A 313
 FE  A 502 (-3.1A)
FE  A 502 (-3.1A)
None
FE  A 502 (-3.6A)
None
FE  A 502 ( 4.8A)
FE  A 502 (-3.2A)
 0.69A 1a4lC-3g77A:
23.2		 1a4lC-3g77A:
21.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hc1 UNCHARACTERIZED HDOD
DOMAIN PROTEIN

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

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

(unidentified) 		PF01979
(Amidohydro_1) 		6 HIS A  93
HIS A  95
HIS A 259
GLU A 262
HIS A 296
ASP A 347
 ZN  A 480 (-3.3A)
ZN  A 480 (-3.3A)
ZN  A 480 (-3.5A)
None
ZN  A 480 ( 4.8A)
ZN  A 480 (-3.2A)
 0.92A 1a4lC-3hpaA:
22.7		 1a4lC-3hpaA:
22.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3icj UNCHARACTERIZED
METAL-DEPENDENT
HYDROLASE

(Pyrococcus
furiosus) 		PF07969
(Amidohydro_3) 		5 HIS A  99
HIS A 101
ASP A 103
HIS A 371
ASP A 432
 ZN  A 601 (-3.5A)
ZN  A 601 (-3.5A)
None
ZN  A 602 (-3.5A)
ZN  A 601 (-2.6A)
 0.93A 1a4lC-3icjA:
17.9		 1a4lC-3icjA:
21.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3igh UNCHARACTERIZED
METAL-DEPENDENT
HYDROLASE

(Pyrococcus
horikoshii) 		PF07969
(Amidohydro_3) 		5 HIS X  83
HIS X  85
ASP X  87
HIS X 355
ASP X 416
 SO4  X   1 (-4.2A)
SO4  X   1 (-4.0A)
None
SO4  X   1 (-4.0A)
SO4  X   1 (-3.0A)
 1.00A 1a4lC-3ighX:
17.6		 1a4lC-3ighX:
24.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lgg ADENOSINE DEAMINASE
CECR1

(Homo sapiens) 		PF00962
(A_deaminase)
PF08451
(A_deaminase_N) 		8 HIS A  86
HIS A  88
ASP A  89
HIS A 330
GLU A 333
HIS A 358
ASP A 415
ASP A 416
 ZN  A 512 (-3.4A)
CFE  A 513 ( 3.3A)
CFE  A 513 (-3.0A)
ZN  A 512 ( 3.5A)
CFE  A 513 (-3.0A)
CFE  A 513 ( 4.3A)
CFE  A 513 ( 2.8A)
CFE  A 513 (-2.8A)
 0.82A 1a4lC-3lggA:
33.7		 1a4lC-3lggA:
21.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lgg ADENOSINE DEAMINASE
CECR1

(Homo sapiens) 		PF00962
(A_deaminase)
PF08451
(A_deaminase_N) 		6 HIS A  86
HIS A  88
PHE A 181
HIS A 330
ASP A 415
ASP A 416
 ZN  A 512 (-3.4A)
CFE  A 513 ( 3.3A)
CFE  A 513 (-4.8A)
ZN  A 512 ( 3.5A)
CFE  A 513 ( 2.8A)
CFE  A 513 (-2.8A)
 1.17A 1a4lC-3lggA:
33.7		 1a4lC-3lggA:
21.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lgg ADENOSINE DEAMINASE
CECR1

(Homo sapiens) 		PF00962
(A_deaminase)
PF08451
(A_deaminase_N) 		9 HIS A  86
HIS A  88
PHE A 181
PHE A 185
HIS A 330
GLU A 333
HIS A 358
ASP A 415
ASP A 416
 ZN  A 512 (-3.4A)
CFE  A 513 ( 3.3A)
CFE  A 513 (-4.8A)
CFE  A 513 ( 3.7A)
ZN  A 512 ( 3.5A)
CFE  A 513 (-3.0A)
CFE  A 513 ( 4.3A)
CFE  A 513 ( 2.8A)
CFE  A 513 (-2.8A)
 0.59A 1a4lC-3lggA:
33.7		 1a4lC-3lggA:
21.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lgg ADENOSINE DEAMINASE
CECR1

(Homo sapiens) 		PF00962
(A_deaminase)
PF08451
(A_deaminase_N) 		6 HIS A  86
PHE A 420
PHE A 181
HIS A 358
ASP A 415
ASP A 416
 ZN  A 512 (-3.4A)
None
CFE  A 513 (-4.8A)
CFE  A 513 ( 4.3A)
CFE  A 513 ( 2.8A)
CFE  A 513 (-2.8A)
 1.28A 1a4lC-3lggA:
33.7		 1a4lC-3lggA:
21.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lnp AMIDOHYDROLASE
FAMILY PROTEIN
OLEI01672_1_465

(Oleispira
antarctica) 		PF01979
(Amidohydro_1) 		6 HIS A  88
HIS A  90
HIS A 243
GLU A 246
HIS A 280
ASP A 331
 CA  A 471 (-3.6A)
CA  A 471 (-3.6A)
CA  A 471 (-4.7A)
None
None
CA  A 471 (-2.7A)
 0.86A 1a4lC-3lnpA:
20.6		 1a4lC-3lnpA:
19.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mdu N-FORMIMINO-L-GLUTAM
ATE IMINOHYDROLASE

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

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

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

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

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

(Pseudomonas
aeruginosa) 		PF00962
(A_deaminase) 		5 HIS A 196
HIS A 220
PHE A 282
HIS A  16
HIS A  18
 ZN  A 327 ( 3.5A)
ADE  A 328 ( 4.2A)
None
ZN  A 327 (-3.4A)
ADE  A 328 ( 3.0A)
 1.22A 1a4lC-3paoA:
39.5		 1a4lC-3paoA:
30.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rys ADENOSINE DEAMINASE
1

(Paenarthrobacter
aurescens) 		PF00962
(A_deaminase) 		7 HIS A  19
HIS A  21
ASP A 103
PHE A  62
GLU A 202
HIS A 223
ASP A 280
 ZN  A 344 (-3.5A)
ADE  A 345 ( 3.2A)
None
None
ADE  A 345 (-2.8A)
ADE  A 345 ( 4.2A)
ZN  A 344 ( 2.5A)
 1.29A 1a4lC-3rysA:
40.8		 1a4lC-3rysA:
29.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rys ADENOSINE DEAMINASE
1

(Paenarthrobacter
aurescens) 		PF00962
(A_deaminase) 		8 HIS A  19
HIS A  21
PHE A  62
HIS A 199
GLU A 202
HIS A 223
ASP A 280
ASP A 281
 ZN  A 344 (-3.5A)
ADE  A 345 ( 3.2A)
None
ZN  A 344 ( 3.4A)
ADE  A 345 (-2.8A)
ADE  A 345 ( 4.2A)
ZN  A 344 ( 2.5A)
ADE  A 345 (-2.8A)
 0.51A 1a4lC-3rysA:
40.8		 1a4lC-3rysA:
29.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rys ADENOSINE DEAMINASE
1

(Paenarthrobacter
aurescens) 		PF00962
(A_deaminase) 		5 HIS A  19
PHE A 285
PHE A  62
HIS A 223
ASP A 281
 ZN  A 344 (-3.5A)
None
None
ADE  A 345 ( 4.2A)
ADE  A 345 (-2.8A)
 1.03A 1a4lC-3rysA:
40.8		 1a4lC-3rysA:
29.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rys ADENOSINE DEAMINASE
1

(Paenarthrobacter
aurescens) 		PF00962
(A_deaminase) 		5 HIS A 199
HIS A 223
PHE A 285
HIS A  19
HIS A  21
 ZN  A 344 ( 3.4A)
ADE  A 345 ( 4.2A)
None
ZN  A 344 (-3.5A)
ADE  A 345 ( 3.2A)
 1.22A 1a4lC-3rysA:
40.8		 1a4lC-3rysA:
29.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3sfw DIHYDROPYRIMIDINASE

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

(Agrobacterium
fabrum) 		PF01979
(Amidohydro_1)
PF13382
(Adenine_deam_C) 		6 HIS A  92
HIS A  94
GLU A 240
HIS A 239
ASP A 289
ASP A 290
 UNX  A 608 ( 3.2A)
UNX  A 608 ( 3.4A)
UNX  A 606 ( 3.0A)
UNX  A 606 ( 3.6A)
UNX  A 608 ( 2.4A)
None
 1.07A 1a4lC-3t8lA:
16.7		 1a4lC-3t8lA:
21.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3v7p AMIDOHYDROLASE
FAMILY PROTEIN

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

(Pyrococcus
horikoshii) 		PF02585
(PIG-L) 		5 HIS A  44
PHE A 224
HIS A 155
ASP A  47
ASP A  46
 ZN  A 301 (-3.2A)
None
ZN  A 301 ( 3.3A)
ZN  A 301 ( 2.1A)
ACY  A 303 (-3.0A)
 1.06A 1a4lC-3we7A:
undetectable		 1a4lC-3we7A:
22.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wl4 UNCHARACTERIZED
PROTEIN

(Pyrococcus
furiosus) 		PF02585
(PIG-L) 		5 HIS A  40
PHE A 219
HIS A 151
ASP A  43
ASP A  42
 CD  A 301 ( 3.4A)
HEZ  A 315 ( 4.4A)
CD  A 301 ( 3.5A)
CD  A 301 ( 2.1A)
TAM  A 309 (-2.7A)
 1.04A 1a4lC-3wl4A:
undetectable		 1a4lC-3wl4A:
21.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bhi GAMMA-BUTYROBETAINE
DIOXYGENASE

(Homo sapiens) 		PF02668
(TauD)
PF06155
(DUF971) 		5 HIS A 202
ASP A 261
ALA A 193
HIS A 347
ASP A 204
 ZN  A 402 ( 3.3A)
RUJ  A 401 ( 4.7A)
OGA  A 400 (-3.1A)
ZN  A 402 ( 3.3A)
ZN  A 402 (-2.6A)
 1.25A 1a4lC-4bhiA:
undetectable		 1a4lC-4bhiA:
22.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bif CUPIN 2 CONSERVED
BARREL DOMAIN
PROTEIN

(Granulicella
tundricola) 		PF07883
(Cupin_2) 		5 HIS A  55
HIS A  96
PHE A  19
PHE A  44
ALA A 108
 MN  A1132 (-3.4A)
MN  A1132 (-3.4A)
None
None
None
 1.21A 1a4lC-4bifA:
undetectable		 1a4lC-4bifA:
17.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dyk AMIDOHYDROLASE

(Pseudomonas
aeruginosa) 		PF01979
(Amidohydro_1) 		6 HIS A  72
HIS A  74
HIS A 221
GLU A 224
HIS A 258
ASP A 309
 ZN  A 501 (-3.3A)
ZN  A 501 (-3.2A)
ZN  A 501 (-3.3A)
None
None
ZN  A 501 (-2.6A)
 0.48A 1a4lC-4dykA:
21.1		 1a4lC-4dykA:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dzh AMIDOHYDROLASE

(Xanthomonas
campestris) 		PF01979
(Amidohydro_1) 		6 HIS A  78
HIS A  80
HIS A 227
GLU A 230
HIS A 264
ASP A 315
 ZN  A 504 (-3.3A)
ZN  A 504 (-3.1A)
ZN  A 504 (-3.3A)
ZN  A 505 ( 4.2A)
ZN  A 505 ( 4.8A)
ZN  A 505 ( 2.0A)
 0.50A 1a4lC-4dzhA:
20.6		 1a4lC-4dzhA:
19.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ewl 1D-MYO-INOSITOL
2-ACETAMIDO-2-DEOXY-
ALPHA-D-GLUCOPYRANOS
IDE DEACETYLASE

(Mycobacterium
tuberculosis) 		PF02585
(PIG-L) 		5 HIS A  13
HIS A 144
HIS A 147
ASP A  16
ASP A  15
 ZN  A 403 (-3.1A)
GOL  A 405 (-4.0A)
ZN  A 403 ( 3.3A)
ZN  A 403 ( 1.9A)
ACT  A 404 (-3.0A)
 1.28A 1a4lC-4ewlA:
undetectable		 1a4lC-4ewlA:
20.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4f0l AMIDOHYDROLASE

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

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

(Burkholderia
ambifaria) 		PF00962
(A_deaminase) 		7 HIS A  34
HIS A  36
HIS A 215
GLU A 218
HIS A 240
ASP A 300
ASP A 301
 ZN  A 401 (-3.4A)
ZN  A 401 (-3.3A)
ZN  A 401 (-3.4A)
None
None
ZN  A 401 (-2.6A)
None
 0.51A 1a4lC-4gxwA:
39.5		 1a4lC-4gxwA:
26.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hjw URACIL-5-CARBOXYLATE
DECARBOXYLASE

(Metarhizium
anisopliae) 		PF04909
(Amidohydro_2) 		5 HIS A  12
HIS A  14
HIS A 195
HIS A 251
ASP A 323
 ZN  A 401 (-3.6A)
ZN  A 401 (-3.5A)
ZN  A 401 (-3.5A)
None
ZN  A 401 (-2.8A)
 0.86A 1a4lC-4hjwA:
14.0		 1a4lC-4hjwA:
22.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ifr 2-AMINO-3-CARBOXYMUC
ONATE 6-SEMIALDEHYDE
DECARBOXYLASE

(Pseudomonas
fluorescens) 		PF04909
(Amidohydro_2) 		5 HIS A   9
HIS A  11
HIS A 177
HIS A 228
ASP A 294
 ZN  A 401 (-3.5A)
ZN  A 401 (-3.4A)
ZN  A 401 (-3.6A)
ZN  A 401 ( 4.7A)
ZN  A 401 (-2.8A)
 0.79A 1a4lC-4ifrA:
13.5		 1a4lC-4ifrA:
23.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4igm 2-AMINO-3-CARBOXYMUC
ONATE-6-SEMIALDEHYDE
DECARBOXYLASE

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

(Cordyceps
militaris) 		PF04909
(Amidohydro_2) 		5 HIS A  12
HIS A  14
ALA A 195
HIS A 251
ASP A 323
 ZN  A 401 (-4.1A)
ZN  A 401 (-4.0A)
ZN  A 401 ( 4.7A)
None
ZN  A 401 (-3.4A)
 1.02A 1a4lC-4lanA:
13.8		 1a4lC-4lanA:
23.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4q7a N-ACETYL-ORNITHINE/N
-ACETYL-LYSINE
DEACETYLASE

(Sphaerobacter
thermophilus) 		PF01546
(Peptidase_M20) 		5 HIS A 329
GLU A 126
HIS A  71
ASP A  95
ASP A 328
 None
None
None
None
SO4  A 401 ( 4.6A)
 1.28A 1a4lC-4q7aA:
undetectable		 1a4lC-4q7aA:
21.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4r85 CYTOSINE DEAMINASE

(Klebsiella
pneumoniae) 		PF07969
(Amidohydro_3) 		7 HIS A  56
HIS A  58
ASP A  60
HIS A 209
GLU A 212
HIS A 241
ASP A 308
 FE2  A 502 (-3.4A)
FE2  A 502 ( 3.5A)
None
FE2  A 502 ( 3.4A)
17E  A 501 (-2.9A)
FE2  A 502 ( 3.7A)
FE2  A 502 ( 2.8A)
 0.85A 1a4lC-4r85A:
22.7		 1a4lC-4r85A:
20.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4v1y ATRAZINE
CHLOROHYDROLASE

(Pseudomonas sp.
ADP) 		PF01979
(Amidohydro_1) 		6 HIS A  66
HIS A  68
HIS A 243
GLU A 246
HIS A 276
ASP A 327
 FE  A 481 (-3.9A)
FE  A 481 (-3.9A)
FE  A 481 (-4.1A)
FE  A 481 ( 4.3A)
FE  A 481 (-3.9A)
FE  A 481 (-2.8A)
 0.61A 1a4lC-4v1yA:
22.0		 1a4lC-4v1yA:
20.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4v1y ATRAZINE
CHLOROHYDROLASE

(Pseudomonas sp.
ADP) 		PF01979
(Amidohydro_1) 		5 HIS A  66
HIS A 243
PHE A 157
HIS A  68
GLU A 125
 FE  A 481 (-3.9A)
FE  A 481 (-4.1A)
None
FE  A 481 (-3.9A)
None
 1.29A 1a4lC-4v1yA:
22.0		 1a4lC-4v1yA:
20.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4x8i LYSYL AMINOPEPTIDASE

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

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

(Mus musculus) 		PF00487
(FA_desaturase) 		5 HIS A 157
HIS A 116
ALA A 306
HIS A 297
HIS A 298
 ZN  A 401 (-3.3A)
ZN  A 401 ( 3.5A)
None
ZN  A 401 (-3.2A)
ZN  A 402 (-3.4A)
 1.03A 1a4lC-4ymkA:
undetectable		 1a4lC-4ymkA:
22.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zr1 CERAMIDE VERY LONG
CHAIN FATTY ACID
HYDROXYLASE SCS7

(Saccharomyces
cerevisiae) 		PF04116
(FA_hydroxylase) 		5 HIS A 345
HIS A 326
ASP A 323
HIS A 349
HIS A 348
 ZN  A 401 (-3.4A)
ZN  A 401 (-3.5A)
None
ZN  A 401 (-3.2A)
ZN  A 402 (-3.3A)
 1.27A 1a4lC-4zr1A:
undetectable		 1a4lC-4zr1A:
22.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zyo ACYL-COA DESATURASE

(Homo sapiens) 		no annotation 5 HIS A 161
HIS A 120
ALA A 310
HIS A 301
HIS A 302
 ZN  A 401 (-3.3A)
ZN  A 401 ( 3.3A)
None
ZN  A 401 (-3.4A)
ZN  A 402 (-3.5A)
 1.12A 1a4lC-4zyoA:
undetectable		 1a4lC-4zyoA:
22.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5aeb LRA-12

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

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

(Streptomyces
sp. FLA) 		PF07883
(Cupin_2) 		5 HIS A 115
PHE A 141
PHE A  56
HIS A  71
HIS A  69
 NI  A 300 (-3.2A)
QUE  A 301 (-4.8A)
None
NI  A 300 ( 3.3A)
QUE  A 301 ( 3.0A)
 1.03A 1a4lC-5fljA:
undetectable		 1a4lC-5fljA:
21.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5g3f THERMUS THERMOPHILUS
MULTICOPPER OXIDASE

(Thermus
thermophilus) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 HIS A  97
HIS A  95
MET A 456
HIS A 396
ASP A 106
 CU  A1465 (-3.1A)
CU  A1463 (-4.1A)
None
CU  A1463 ( 4.8A)
None
 1.17A 1a4lC-5g3fA:
undetectable		 1a4lC-5g3fA:
23.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5h3h ABHYDROLASE
DOMAIN-CONTAINING
PROTEIN

(Exiguobacterium
antarcticum) 		PF00561
(Abhydrolase_1)
PF08386
(Abhydrolase_4) 		5 HIS A 216
HIS A 248
PHE A 160
ALA A 123
ASP A 220
 None
F50  A 301 (-4.0A)
None
None
None
 1.22A 1a4lC-5h3hA:
undetectable		 1a4lC-5h3hA:
22.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hqn SPHINGOMYELIN
PHOSPHODIESTERASE

(Mus musculus) 		PF00149
(Metallophos) 		5 HIS A 206
HIS A 457
HIS A 280
HIS A 317
ASP A 276
 ZN  A 701 ( 3.3A)
ZN  A 701 ( 3.1A)
PO4  A 710 (-4.2A)
PO4  A 710 (-3.7A)
ZN  A 702 (-2.3A)
 1.31A 1a4lC-5hqnA:
undetectable		 1a4lC-5hqnA:
19.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kja APOCAROTENOID-15,15'
-OXYGENASE

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

(Rattus
norvegicus) 		no annotation 5 HIS A 974
HIS A1014
ALA A 165
HIS A 162
HIS A 101
 CU  A1101 ( 3.2A)
CU  A1101 (-3.2A)
None
CU  A1101 (-3.3A)
CU  A1105 (-3.1A)
 1.20A 1a4lC-5n4lA:
undetectable		 1a4lC-5n4lA:
12.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5o25 TMPDE

(Thermotoga
maritima) 		no annotation 5 HIS A 286
ALA A 123
HIS A 104
HIS A 105
ASP A  23
 PG4  A 403 ( 4.7A)
None
MN  A 402 (-3.5A)
PG4  A 403 (-4.5A)
MN  A 401 (-2.0A)
 1.15A 1a4lC-5o25A:
undetectable		 1a4lC-5o25A:
22.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5uyg PERIPLASMIC CHELATED
IRON-BINDING PROTEIN
YFEA

(Yersinia pestis) 		PF01297
(ZnuA) 		5 HIS A 141
HIS A  76
ASP A  77
GLU A 256
ASP A 282
 ZN  A 401 (-3.3A)
ZN  A 401 (-3.3A)
None
None
ZN  A 401 (-2.1A)
 1.08A 1a4lC-5uygA:
undetectable		 1a4lC-5uygA:
20.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5x7l TSRD

(Streptomyces
laurentii) 		no annotation 5 HIS A 117
PHE A  13
HIS A  35
ASP A 119
ASP A 105
 IPA  A 202 (-3.5A)
None
None
IPA  A 202 ( 4.8A)
IPA  A 202 (-2.9A)
 1.29A 1a4lC-5x7lA:
undetectable		 1a4lC-5x7lA:
13.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xoy [LYSW]-LYSINE
HYDROLASE

(Thermus
thermophilus) 		PF01546
(Peptidase_M20) 		5 HIS A 326
GLU A 124
HIS A  67
ASP A  91
ASP A 325
 None
LYS  A 401 (-3.0A)
None
None
None
 1.12A 1a4lC-5xoyA:
undetectable		 1a4lC-5xoyA:
24.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6evg MULTI-COPPER OXIDASE
CUEO

(Ochrobactrum) 		no annotation 5 HIS A 489
HIS A  91
ASP A 102
HIS A 437
HIS A 491
 None
EDO  A 602 ( 4.5A)
EDO  A 602 (-3.4A)
None
None
 1.30A 1a4lC-6evgA:
undetectable		 1a4lC-6evgA:
16.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1atg PERIPLASMIC
MOLYBDATE-BINDING
PROTEIN

(Azotobacter
vinelandii) 		PF13531
(SBP_bac_11) 		4 LEU A 126
LEU A 100
SER A  87
LEU A  92
 None
 0.98A 1a4lC-1atgA:
undetectable		 1a4lC-1atgA:
20.56
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.
1eg1 ENDOGLUCANASE I

(Trichoderma
reesei) 		PF00840
(Glyco_hydro_7) 		4 LEU A 134
LEU A 137
SER A 106
GLY A 143
 None
 0.83A 1a4lC-1eg1A:
undetectable		 1a4lC-1eg1A:
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.
1eqn DNA PRIMASE

(Escherichia
coli) 		PF08275
(Toprim_N)
PF10410
(DnaB_bind)
PF13155
(Toprim_2) 		4 LEU A 407
LEU A 411
SER A 375
LEU A 376
 None
 0.96A 1a4lC-1eqnA:
undetectable		 1a4lC-1eqnA:
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.
1fbw ENDO-1,4-BETA-GLUCAN
ASE F

([Clostridium]
cellulolyticum) 		PF02011
(Glyco_hydro_48) 		4 LEU A 332
SER A 270
LEU A 296
GLY A 264
 None
 0.84A 1a4lC-1fbwA:
undetectable		 1a4lC-1fbwA:
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.
1i1q ANTHRANILATE
SYNTHASE COMPONENT I

(Salmonella
enterica) 		PF00425
(Chorismate_bind)
PF04715
(Anth_synt_I_N) 		4 LEU A  36
LEU A  38
SER A 310
GLY A 454
 None
TRP  A1001 (-3.8A)
None
TRP  A1001 ( 3.8A)
 0.68A 1a4lC-1i1qA:
undetectable		 1a4lC-1i1qA:
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.
1i2m REGULATOR OF
CHROMOSOME
CONDENSATION 1

(Homo sapiens) 		PF00415
(RCC1) 		4 LEU B 220
LEU B 224
LEU B 142
GLY B 154
 None
 0.99A 1a4lC-1i2mB:
undetectable		 1a4lC-1i2mB:
23.26
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.
1i7q ANTHRANILATE
SYNTHASE

(Serratia
marcescens) 		PF00425
(Chorismate_bind)
PF04715
(Anth_synt_I_N) 		4 LEU A  36
LEU A  38
SER A 310
GLY A 454
 None
 0.53A 1a4lC-1i7qA:
undetectable		 1a4lC-1i7qA:
20.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kn3 PHOSPHATIDYLETHANOLA
MINE BINDING
PROTEIN-2

(Mus musculus) 		PF01161
(PBP) 		4 LEU A 180
LEU A 184
SER A 104
LEU A 138
 None
 1.01A 1a4lC-1kn3A:
undetectable		 1a4lC-1kn3A:
17.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1krm ADENOSINE DEAMINASE

(Bos taurus) 		PF00962
(A_deaminase) 		5 LEU A  55
LEU A  59
SER A 100
LEU A 103
GLY A 181
 None
PRH  A 401 (-4.5A)
None
PRH  A 401 (-4.4A)
PRH  A 401 (-4.0A)
 0.32A 1a4lC-1krmA:
58.0		 1a4lC-1krmA:
84.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1lxy ARGININE DEIMINASE

(Mycoplasma
arginini) 		PF02274
(Amidinotransf) 		4 LEU A 127
LEU A 118
SER A 102
LEU A 106
 None
 0.89A 1a4lC-1lxyA:
undetectable		 1a4lC-1lxyA:
20.86
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.
1nyq THREONYL-TRNA
SYNTHETASE 1

(Staphylococcus
aureus) 		PF00587
(tRNA-synt_2b)
PF02824
(TGS)
PF03129
(HGTP_anticodon)
PF07973
(tRNA_SAD) 		4 LEU A 543
LEU A 531
SER A 487
LEU A 486
 None
 1.03A 1a4lC-1nyqA:
undetectable		 1a4lC-1nyqA:
19.97
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.
1o8u 6-OXO CAMPHOR
HYDROLASE

(Rhodococcus
erythropolis) 		PF00378
(ECH_1) 		4 LEU A 241
LEU A 237
LEU A 229
GLY A 155
 None
 0.90A 1a4lC-1o8uA:
undetectable		 1a4lC-1o8uA:
19.89
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.
1oh9 ACETYLGLUTAMATE
KINASE

(Escherichia
coli) 		PF00696
(AA_kinase) 		4 LEU A  14
SER A 147
LEU A  80
GLY A  10
 None
NLG  A1260 ( 3.7A)
NLG  A1260 ( 4.7A)
ALF  A1261 ( 3.1A)
 0.81A 1a4lC-1oh9A:
undetectable		 1a4lC-1oh9A:
22.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1p2f RESPONSE REGULATOR

(Thermotoga
maritima) 		PF00072
(Response_reg)
PF00486
(Trans_reg_C) 		4 LEU A  76
LEU A  49
LEU A  38
GLY A  58
 None
 0.81A 1a4lC-1p2fA:
undetectable		 1a4lC-1p2fA:
21.26
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.
1rh1 COLICIN B

(Escherichia
coli) 		PF01024
(Colicin)
PF03515
(Cloacin) 		4 LEU A 110
LEU A 106
LEU A 171
GLY A 186
 None
 1.01A 1a4lC-1rh1A:
undetectable		 1a4lC-1rh1A:
21.00
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.
1s9c PEROXISOMAL
MULTIFUNCTIONAL
ENZYME TYPE 2

(Homo sapiens) 		PF01575
(MaoC_dehydratas)
PF13452
(MaoC_dehydrat_N) 		4 LEU A  96
LEU A  94
LEU A 217
GLY A  61
 None
 0.83A 1a4lC-1s9cA:
undetectable		 1a4lC-1s9cA:
22.08
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.
1tz9 MANNONATE
DEHYDRATASE

(Enterococcus
faecalis) 		PF03786
(UxuA) 		4 LEU A  61
LEU A  50
LEU A  34
GLY A  31
 None
 1.01A 1a4lC-1tz9A:
4.0		 1a4lC-1tz9A:
21.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1uio ADENOSINE DEAMINASE

(Mus musculus) 		PF00962
(A_deaminase) 		5 LEU A  58
LEU A  62
SER A 103
LEU A 106
GLY A 184
 None
HPR  A 353 (-4.5A)
None
None
HPR  A 353 (-3.8A)
 0.24A 1a4lC-1uioA:
63.0		 1a4lC-1uioA:
99.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xeu INTERNALIN C

(Listeria
monocytogenes) 		PF08191
(LRR_adjacent)
PF12354
(Internalin_N)
PF12799
(LRR_4) 		4 LEU A 189
LEU A 167
SER A 157
LEU A 134
 None
 0.83A 1a4lC-1xeuA:
undetectable		 1a4lC-1xeuA:
21.19
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.
1yrg GTPASE-ACTIVATING
PROTEIN RNA1_SCHPO

(Schizosaccharomyces
pombe) 		no annotation 4 LEU A 246
LEU A 249
SER A 233
LEU A 256
 None
 1.05A 1a4lC-1yrgA:
undetectable		 1a4lC-1yrgA:
24.75
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.
2dqw DIHYDROPTEROATE
SYNTHASE

(Thermus
thermophilus) 		PF00809
(Pterin_bind) 		4 LEU A  37
LEU A  35
SER A 101
LEU A 102
 None
 1.04A 1a4lC-2dqwA:
5.3		 1a4lC-2dqwA:
22.04
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.
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli) 		PF00456
(Transketolase_N) 		4 LEU A 475
LEU A 473
SER A 584
LEU A 590
 None
 0.96A 1a4lC-2g28A:
undetectable		 1a4lC-2g28A:
17.38
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.
2ntj ENOYL-[ACYL-CARRIER-
PROTEIN] REDUCTASE
[NADH

(Mycobacterium
tuberculosis) 		PF13561
(adh_short_C2) 		4 LEU A 168
LEU A 188
SER A 143
GLY A 146
 None
 0.99A 1a4lC-2ntjA:
undetectable		 1a4lC-2ntjA:
22.19
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.
2qmm UPF0217 PROTEIN
AF_1056

(Archaeoglobus
fulgidus) 		PF04013
(Methyltrn_RNA_2) 		4 LEU A 149
LEU A 147
LEU A 212
GLY A 204
 None
 0.94A 1a4lC-2qmmA:
undetectable		 1a4lC-2qmmA:
20.06
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.
2r0q PUTATIVE TRANSPOSON
TN552 DNA-INVERTASE
BIN3

(Staphylococcus
aureus) 		PF00239
(Resolvase)
PF02796
(HTH_7) 		4 LEU C  81
LEU C  88
SER C  92
LEU C  93
 None
 1.00A 1a4lC-2r0qC:
undetectable		 1a4lC-2r0qC:
20.88
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.
2rfo NUCLEOPORIN NIC96

(Saccharomyces
cerevisiae) 		PF04097
(Nic96) 		4 LEU A 479
LEU A 483
SER A 512
LEU A 513
 None
 0.83A 1a4lC-2rfoA:
undetectable		 1a4lC-2rfoA:
18.63
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.
2va8 SKI2-TYPE HELICASE

(Sulfolobus
solfataricus) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		4 LEU A  37
LEU A  36
LEU A 174
GLY A  59
 None
 0.95A 1a4lC-2va8A:
undetectable		 1a4lC-2va8A:
20.23
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.
2vqa SLL1358 PROTEIN

(Synechocystis
sp. PCC 6803) 		PF00190
(Cupin_1) 		4 LEU A 138
LEU A 239
LEU A 253
GLY A 269
 None
None
ACT  A1395 (-4.8A)
None
 1.06A 1a4lC-2vqaA:
undetectable		 1a4lC-2vqaA:
21.43
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.
2wxz ANGIOTENSINOGEN

(Rattus
norvegicus) 		PF00079
(Serpin) 		4 LEU A 183
LEU A 185
SER A 111
LEU A 193
 None
 0.88A 1a4lC-2wxzA:
undetectable		 1a4lC-2wxzA:
22.67
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.
2wxz ANGIOTENSINOGEN

(Rattus
norvegicus) 		PF00079
(Serpin) 		4 LEU A 443
LEU A 100
LEU A 359
GLY A  81
 None
 0.89A 1a4lC-2wxzA:
undetectable		 1a4lC-2wxzA:
22.67
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.
2wy0 ANGIOTENSINOGEN

(Mus musculus) 		PF00079
(Serpin) 		4 LEU C 443
LEU C 100
LEU C 359
GLY C  81
 None
 0.88A 1a4lC-2wy0C:
undetectable		 1a4lC-2wy0C:
21.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xa7 ADAPTOR-RELATED
PROTEIN COMPLEX 2,
ALPHA 2 SUBUNIT

(Rattus
norvegicus) 		PF01602
(Adaptin_N) 		4 LEU A 526
LEU A 487
LEU A 447
GLY A 500
 None
 0.89A 1a4lC-2xa7A:
undetectable		 1a4lC-2xa7A:
19.23
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.
3c4n UNCHARACTERIZED
PROTEIN DR_0571

(Deinococcus
radiodurans) 		PF01266
(DAO) 		4 LEU A 374
LEU A 372
LEU A 197
GLY A 236
 None
 1.01A 1a4lC-3c4nA:
undetectable		 1a4lC-3c4nA:
21.23
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.
3cf4 ACETYL-COA
DECARBOXYLASE/SYNTHA
SE ALPHA SUBUNIT

(Methanosarcina
barkeri) 		PF03063
(Prismane) 		4 LEU A 654
LEU A 696
LEU A 198
GLY A 642
 None
 0.85A 1a4lC-3cf4A:
undetectable		 1a4lC-3cf4A:
18.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cyj MANDELATE
RACEMASE/MUCONATE
LACTONIZING
ENZYME-LIKE PROTEIN

(Rubrobacter
xylanophilus) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 LEU A 114
LEU A 110
LEU A   9
GLY A  41
 None
 0.94A 1a4lC-3cyjA:
5.3		 1a4lC-3cyjA:
22.36
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.
3d3y UNCHARACTERIZED
PROTEIN

(Enterococcus
faecalis) 		PF05193
(Peptidase_M16_C) 		4 LEU A 136
LEU A 140
LEU A 153
GLY A 172
 None
 1.06A 1a4lC-3d3yA:
undetectable		 1a4lC-3d3yA:
22.92
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.
3ebv CHINITASE A

(Streptomyces
coelicolor) 		PF00704
(Glyco_hydro_18) 		4 LEU A 294
LEU A 244
LEU A 223
GLY A 267
 None
 1.05A 1a4lC-3ebvA:
3.4		 1a4lC-3ebvA:
20.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fj1 PUTATIVE
PHOSPHOSUGAR
ISOMERASE

(Ruegeria
pomeroyi) 		PF01380
(SIS) 		4 LEU A  95
LEU A  60
LEU A 309
GLY A 162
 None
 0.82A 1a4lC-3fj1A:
undetectable		 1a4lC-3fj1A:
22.81
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.
3fnk CELLULOSOMAL
SCAFFOLDIN ADAPTOR
PROTEIN B

(Acetivibrio
cellulolyticus) 		PF00963
(Cohesin) 		4 LEU A 120
LEU A  76
LEU A 105
GLY A  41
 None
 0.83A 1a4lC-3fnkA:
undetectable		 1a4lC-3fnkA:
21.47
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.
3fnt HAP PROTEIN

(Plasmodium
falciparum) 		PF00026
(Asp) 		4 LEU A 188
LEU A 128
SER A  75
LEU A  73
 None
 1.01A 1a4lC-3fntA:
undetectable		 1a4lC-3fntA:
21.16
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.
3g40 NA-K-CL
COTRANSPORTER

(Methanosarcina
acetivorans) 		no annotation 4 LEU A 576
LEU A 497
LEU A 528
GLY A 572
 None
 1.01A 1a4lC-3g40A:
undetectable		 1a4lC-3g40A:
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.
3ghp CELLULOSOMAL
SCAFFOLDIN ADAPTOR
PROTEIN B

(Acetivibrio
cellulolyticus) 		PF00963
(Cohesin) 		4 LEU A 120
LEU A  76
LEU A 105
GLY A  41
 None
 0.84A 1a4lC-3ghpA:
undetectable		 1a4lC-3ghpA:
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.
3gqi PHOSPHOLIPASE
C-GAMMA-1

(Rattus
norvegicus) 		PF00017
(SH2) 		4 LEU B 555
SER B 546
LEU B 632
GLY B 553
 None
 1.01A 1a4lC-3gqiB:
undetectable		 1a4lC-3gqiB:
18.59
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.
3j9u V-TYPE PROTON ATPASE
CATALYTIC SUBUNIT A

(Saccharomyces
cerevisiae) 		no annotation 4 LEU C 193
LEU C 133
LEU C 339
GLY C  99
 None
 1.00A 1a4lC-3j9uC:
undetectable		 1a4lC-3j9uC:
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.
3k3n PHD FINGER PROTEIN 8

(Homo sapiens) 		PF02373
(JmjC) 		4 LEU A 429
LEU A 433
LEU A 393
GLY A 372
 None
 0.87A 1a4lC-3k3nA:
undetectable		 1a4lC-3k3nA:
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.
3kfu ASPARTYL/GLUTAMYL-TR
NA(ASN/GLN)
AMIDOTRANSFERASE
SUBUNIT B

(Thermus
thermophilus) 		PF02637
(GatB_Yqey)
PF02934
(GatB_N) 		4 LEU F 119
LEU F  99
LEU F 280
GLY F  59
 None
 0.97A 1a4lC-3kfuF:
undetectable		 1a4lC-3kfuF:
25.30
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.
3ktd PREPHENATE
DEHYDROGENASE

(Corynebacterium
glutamicum) 		PF02153
(PDH) 		4 LEU A 140
LEU A  17
LEU A 239
GLY A 127
 None
 1.04A 1a4lC-3ktdA:
undetectable		 1a4lC-3ktdA:
22.14
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.
3kv4 PHD FINGER PROTEIN 8

(Homo sapiens) 		PF00628
(PHD)
PF02373
(JmjC) 		4 LEU A 429
LEU A 433
LEU A 393
GLY A 372
 None
 1.02A 1a4lC-3kv4A:
undetectable		 1a4lC-3kv4A:
22.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kwp PREDICTED
METHYLTRANSFERASE

(Lactobacillus
brevis) 		PF00590
(TP_methylase) 		4 LEU A 167
SER A 133
LEU A 130
GLY A 232
 None
 1.05A 1a4lC-3kwpA:
undetectable		 1a4lC-3kwpA:
21.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kxq TRIOSEPHOSPHATE
ISOMERASE

(Bartonella
henselae) 		PF00121
(TIM) 		4 LEU A  87
LEU A  51
LEU A  25
GLY A  66
 None
 0.85A 1a4lC-3kxqA:
6.5		 1a4lC-3kxqA:
20.27
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.
3l8q CELLULOSOMAL
SCAFFOLDIN ADAPTOR
PROTEIN B

(Acetivibrio
cellulolyticus) 		PF00963
(Cohesin) 		4 LEU A 283
LEU A 239
LEU A 268
GLY A 204
 None
 0.82A 1a4lC-3l8qA:
undetectable		 1a4lC-3l8qA:
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.
3nns DNA BINDING RESPONSE
REGULATOR B

(Thermotoga
maritima) 		PF00072
(Response_reg) 		4 LEU A  76
LEU A  49
LEU A  38
GLY A  58
 None
 0.86A 1a4lC-3nnsA:
undetectable		 1a4lC-3nnsA:
16.62
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.
3nqx SECRETED
METALLOPROTEASE
MCP02

(Pseudoalteromonas
sp. SM9913) 		PF01447
(Peptidase_M4)
PF02868
(Peptidase_M4_C) 		4 LEU A 358
LEU A 367
SER A 502
LEU A 495
 None
 1.02A 1a4lC-3nqxA:
undetectable		 1a4lC-3nqxA:
21.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pie 5'->3'
EXORIBONUCLEASE
(XRN1)

(Kluyveromyces
lactis) 		PF03159
(XRN_N) 		4 LEU A 223
LEU A 250
LEU A 278
GLY A 213
 None
 0.88A 1a4lC-3pieA:
undetectable		 1a4lC-3pieA:
14.83
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.
3q60 ROP5B

(Toxoplasma
gondii) 		PF14531
(Kinase-like) 		4 LEU A 373
LEU A 369
SER A 341
LEU A 185
 None
 1.03A 1a4lC-3q60A:
undetectable		 1a4lC-3q60A:
21.38
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.
3qk7 TRANSCRIPTIONAL
REGULATORS

(Yersinia pestis) 		PF00532
(Peripla_BP_1) 		4 LEU A 219
SER A 229
LEU A 231
GLY A 199
 None
 1.03A 1a4lC-3qk7A:
undetectable		 1a4lC-3qk7A:
21.61
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.
3tfo PUTATIVE
3-OXOACYL-(ACYL-CARR
IER-PROTEIN)
REDUCTASE

(Sinorhizobium
meliloti) 		PF00106
(adh_short) 		4 LEU A  85
SER A  67
LEU A  60
GLY A 119
 None
 0.91A 1a4lC-3tfoA:
undetectable		 1a4lC-3tfoA:
22.77
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.
3ttg PUTATIVE
AMINOMETHYLTRANSFERA
SE

(Leptospirillum
rubarum) 		PF01571
(GCV_T)
PF08669
(GCV_T_C) 		4 LEU A 289
SER A 295
LEU A 298
GLY A 303
 None
 1.05A 1a4lC-3ttgA:
undetectable		 1a4lC-3ttgA:
25.36
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.
3wp9 ICE-BINDING PROTEIN

(Colwellia sp.
SLW05) 		PF11999
(DUF3494) 		4 LEU A  17
SER A  70
LEU A  73
GLY A  35
 None
 1.02A 1a4lC-3wp9A:
undetectable		 1a4lC-3wp9A:
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.
3zo9 TREHALOSE
SYNTHASE/AMYLASE
TRES

(Mycolicibacterium
smegmatis) 		PF00128
(Alpha-amylase)
PF16657
(Malt_amylase_C) 		4 LEU A 377
LEU A 338
SER A 397
LEU A 398
 None
 1.06A 1a4lC-3zo9A:
6.0		 1a4lC-3zo9A:
21.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4a3s 6-PHOSPHOFRUCTOKINAS
E

(Bacillus
subtilis) 		PF00365
(PFK) 		4 LEU A 263
LEU A 267
LEU A 274
GLY A 285
 None
 1.07A 1a4lC-4a3sA:
undetectable		 1a4lC-4a3sA:
24.00
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.
4epz TRANSCRIPTION
ANTI-TERMINATOR
ANTAGONIST UPXZ

(Bacteroides
uniformis) 		PF06603
(UpxZ) 		4 LEU A  97
LEU A 102
LEU A   9
GLY A  59
 None
 1.02A 1a4lC-4epzA:
undetectable		 1a4lC-4epzA:
21.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fcg UNCHARACTERIZED
PROTEIN

(Xanthomonas
euvesicatoria) 		PF13855
(LRR_8) 		4 LEU A 356
LEU A 333
SER A 323
LEU A 292
 None
None
CL  A 503 (-2.9A)
None
 0.84A 1a4lC-4fcgA:
undetectable		 1a4lC-4fcgA:
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.
4gaa MGC78867 PROTEIN

(Xenopus laevis) 		PF01433
(Peptidase_M1)
PF09127
(Leuk-A4-hydro_C) 		4 LEU A 128
LEU A 112
SER A 103
LEU A  56
 None
 0.82A 1a4lC-4gaaA:
undetectable		 1a4lC-4gaaA:
19.31
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.
4i3f SERINE HYDROLASE
CCSP0084

(Cycloclasticus
sp. P1) 		PF12697
(Abhydrolase_6) 		4 LEU A 215
LEU A 241
SER A 104
GLY A 131
 None
None
CL  A 302 (-3.0A)
None
 0.96A 1a4lC-4i3fA:
undetectable		 1a4lC-4i3fA:
22.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4i4i 6-PHOSPHOFRUCTOKINAS
E

(Geobacillus
stearothermophilus) 		PF00365
(PFK) 		4 LEU A 263
LEU A 267
LEU A 274
GLY A 285
 None
 1.03A 1a4lC-4i4iA:
undetectable		 1a4lC-4i4iA:
21.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ict CYTOCHROME P450 121

(Mycobacterium
tuberculosis) 		PF00067
(p450) 		4 LEU A 246
LEU A 242
LEU A 145
GLY A 358
 None
 0.80A 1a4lC-4ictA:
undetectable		 1a4lC-4ictA:
20.89
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.
4jgg ESTERASE TESA

(Pseudomonas
aeruginosa) 		PF13472
(Lipase_GDSL_2) 		4 LEU A  90
LEU A  86
LEU A 111
GLY A  73
 None
 1.06A 1a4lC-4jggA:
2.6		 1a4lC-4jggA:
19.49
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.
4kng LEUCINE-RICH
REPEAT-CONTAINING
G-PROTEIN COUPLED
RECEPTOR 5

(Homo sapiens) 		PF00560
(LRR_1)
PF01462
(LRRNT)
PF13855
(LRR_8) 		4 LEU A 445
LEU A 448
SER A 435
LEU A 456
 None
 0.97A 1a4lC-4kngA:
undetectable		 1a4lC-4kngA:
20.99
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.
4l68 LEUCINE-RICH REPEAT
PROTEIN KINASE-LIKE
PROTEIN

(Arabidopsis
thaliana) 		PF07714
(Pkinase_Tyr) 		4 LEU A 357
LEU A 354
LEU A 337
GLY A 449
 None
 0.81A 1a4lC-4l68A:
undetectable		 1a4lC-4l68A:
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.
4l6u PUTATIVE
UNCHARACTERIZED
PROTEIN

(Archaeoglobus
fulgidus) 		PF03787
(RAMPs) 		4 LEU A  44
LEU A 181
LEU A 167
GLY A 135
 None
 1.01A 1a4lC-4l6uA:
undetectable		 1a4lC-4l6uA:
24.67
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.
4li2 LEUCINE-RICH
REPEAT-CONTAINING
G-PROTEIN COUPLED
RECEPTOR 4

(Xenopus
tropicalis) 		PF13516
(LRR_6)
PF13855
(LRR_8) 		4 LEU A 240
LEU A 235
SER A 249
LEU A 250
 None
 1.05A 1a4lC-4li2A:
undetectable		 1a4lC-4li2A:
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.
4lxf TREHALOSE SYNTHASE

(Mycobacterium
tuberculosis) 		PF00128
(Alpha-amylase)
PF16657
(Malt_amylase_C) 		4 LEU A 385
LEU A 346
SER A 405
LEU A 406
 GOL  A 704 (-4.4A)
GOL  A 704 ( 4.6A)
None
None
 1.02A 1a4lC-4lxfA:
6.8		 1a4lC-4lxfA:
17.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nvt TRIOSEPHOSPHATE
ISOMERASE

(Brucella
melitensis) 		PF00121
(TIM) 		4 LEU A  87
LEU A  51
LEU A  25
GLY A  66
 None
 1.01A 1a4lC-4nvtA:
4.9		 1a4lC-4nvtA:
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.
4ojx 3',5'-CYCLIC-NUCLEOT
IDE
PHOSPHODIESTERASE 1

(Saccharomyces
cerevisiae) 		PF02112
(PDEase_II) 		4 LEU A   9
LEU A  47
SER A  97
LEU A  98
 None
 1.05A 1a4lC-4ojxA:
undetectable		 1a4lC-4ojxA:
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.
4piv FATTY ACID SYNTHASE

(Homo sapiens) 		PF08242
(Methyltransf_12)
PF08659
(KR) 		4 LEU A1134
LEU A1128
LEU A1400
GLY A1217
 None
 0.97A 1a4lC-4pivA:
undetectable		 1a4lC-4pivA:
19.36
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.
4psu ALPHA/BETA HYDROLASE

(Rhodopseudomonas
palustris) 		PF12697
(Abhydrolase_6) 		4 LEU A 135
LEU A 121
LEU A  74
GLY A 113
 None
 1.05A 1a4lC-4psuA:
undetectable		 1a4lC-4psuA:
21.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rkz PUTATIVE
UNCHARACTERIZED
PROTEIN TA1305

(Thermoplasma
acidophilum) 		no annotation 4 LEU A 146
LEU A 135
LEU A  78
GLY A 116
 None
 0.97A 1a4lC-4rkzA:
undetectable		 1a4lC-4rkzA:
21.03
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.
4uqg DNA POLYMERASE

(Geobacillus
stearothermophilus) 		PF00476
(DNA_pol_A) 		4 LEU A 443
LEU A 447
LEU A 318
GLY A 334
 None
 0.94A 1a4lC-4uqgA:
undetectable		 1a4lC-4uqgA:
21.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xwl EXOGLUCANASE S

(Clostridium
cellulovorans) 		PF02011
(Glyco_hydro_48) 		4 LEU A 324
SER A 262
LEU A 288
GLY A 256
 None
 0.91A 1a4lC-4xwlA:
undetectable		 1a4lC-4xwlA:
18.62
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.
5b1q U14 PROTEIN

(Human
betaherpesvirus
6B) 		PF04637
(Herpes_pp85) 		4 LEU A 359
LEU A 447
LEU A 454
GLY A 437
 None
 1.01A 1a4lC-5b1qA:
undetectable		 1a4lC-5b1qA:
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.
5eaw DNA REPLICATION
ATP-DEPENDENT
HELICASE/NUCLEASE
DNA2

(Mus musculus) 		PF08696
(Dna2)
PF13086
(AAA_11)
PF13087
(AAA_12) 		5 LEU A 321
LEU A 273
SER A 134
LEU A 362
GLY A 128
 None
 1.36A 1a4lC-5eawA:
undetectable		 1a4lC-5eawA:
16.56
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.
5fb3 GLYCEROL-1-PHOSPHATE
DEHYDROGENASE
[NAD(P)+]

(Pyrobaculum
calidifontis) 		PF13685
(Fe-ADH_2) 		4 LEU A 217
LEU A 213
SER A 148
GLY A 154
 None
 0.96A 1a4lC-5fb3A:
undetectable		 1a4lC-5fb3A:
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.
5fn4 NICASTRIN

(Homo sapiens) 		PF05450
(Nicastrin) 		4 LEU A 431
LEU A 427
LEU A 441
GLY A 438
 None
 0.83A 1a4lC-5fn4A:
undetectable		 1a4lC-5fn4A:
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.
5gad SIGNAL RECOGNITION
PARTICLE RECEPTOR
FTSY

(Escherichia
coli) 		PF00238
(Ribosomal_L14) 		4 LEU l 448
LEU l 445
SER l 459
GLY l 454
 None
 0.57A 1a4lC-5gadl:
3.3		 1a4lC-5gadl:
20.04
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.
5gha SULFUR CARRIER TTUB

(Thermus
thermophilus) 		no annotation 4 LEU E  46
LEU E  25
SER E  60
LEU E   7
 None
 1.00A 1a4lC-5ghaE:
undetectable		 1a4lC-5ghaE:
13.18
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.
5ghf AMINOTRANSFERASE
CLASS-III

(Ochrobactrum
anthropi) 		PF00202
(Aminotran_3) 		4 LEU A 423
LEU A 385
SER A 453
LEU A 454
 None
 1.01A 1a4lC-5ghfA:
undetectable		 1a4lC-5ghfA:
21.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gr8 LEUCINE-RICH REPEAT
RECEPTOR-LIKE
PROTEIN KINASE PEPR1

(Arabidopsis
thaliana) 		PF00560
(LRR_1)
PF08263
(LRRNT_2)
PF13855
(LRR_8) 		4 LEU A 231
LEU A 226
SER A 218
LEU A 221
 None
 0.76A 1a4lC-5gr8A:
undetectable		 1a4lC-5gr8A:
19.66
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.
5l3r CELL DIVISION
PROTEIN FTSY
HOMOLOG,
CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF00448
(SRP54)
PF02881
(SRP54_N) 		4 LEU B 320
LEU B 317
SER B 331
GLY B 326
 None
 0.75A 1a4lC-5l3rB:
undetectable		 1a4lC-5l3rB:
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.
5lv1 PTXB

(Prochlorococcus
marinus) 		no annotation 4 LEU A 139
LEU A 135
LEU A  79
GLY A 260
 None
 0.70A 1a4lC-5lv1A:
undetectable		 1a4lC-5lv1A:
11.85
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.
5n6v AMYLOSUCRASE

(Neisseria
polysaccharea) 		no annotation 4 LEU A 615
LEU A 617
SER A 473
LEU A 470
 None
 0.88A 1a4lC-5n6vA:
2.3		 1a4lC-5n6vA:
13.09
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.
5oc9 -

(-) 		no annotation 4 LEU A 499
LEU A 503
SER A 415
LEU A 416
 None
 0.71A 1a4lC-5oc9A:
undetectable		 1a4lC-5oc9A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5u08 AAC3-I

(uncultured
bacterium) 		PF00583
(Acetyltransf_1) 		4 LEU A  30
LEU A  27
SER A  74
GLY A  71
 None
 0.82A 1a4lC-5u08A:
undetectable		 1a4lC-5u08A:
18.23
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.
5xoe ATP-DEPENDENT
6-PHOSPHOFRUCTOKINAS
E

(Staphylococcus
aureus) 		no annotation 4 LEU A 265
LEU A 269
LEU A 276
GLY A 287
 None
 1.04A 1a4lC-5xoeA:
undetectable		 1a4lC-5xoeA:
14.88
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.
5ze4 DIHYDROXY-ACID
DEHYDRATASE,
CHLOROPLASTIC

(Arabidopsis
thaliana) 		no annotation 4 LEU A 259
LEU A 255
SER A  57
GLY A 132
 None
 0.75A 1a4lC-5ze4A:
2.2		 1a4lC-5ze4A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6an0 HISTIDINOL
DEHYDROGENASE

(Elizabethkingia
anophelis) 		PF00815
(Histidinol_dh) 		4 LEU A 278
LEU A 274
LEU A 306
GLY A 303
 None
None
IOD  A 509 ( 4.6A)
None
 0.99A 1a4lC-6an0A:
undetectable		 1a4lC-6an0A:
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.
6ao8 ARGININE--TRNA
LIGASE

(Neisseria
gonorrhoeae) 		PF00750
(tRNA-synt_1d)
PF03485
(Arg_tRNA_synt_N)
PF05746
(DALR_1) 		4 LEU A 503
LEU A 515
LEU A 459
GLY A 560
 None
 1.03A 1a4lC-6ao8A:
undetectable		 1a4lC-6ao8A:
21.33
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.
6c0d AMIDASE,
HYDANTOINASE/CARBAMO
YLASE FAMILY

(Paraburkholderia
phymatum) 		no annotation 4 LEU A 163
LEU A  35
SER A  82
GLY A  63
 None
 0.94A 1a4lC-6c0dA:
undetectable		 1a4lC-6c0dA:
12.61
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.
6elc VARIANT SURFACE
GLYCOPROTEIN

(Trypanosoma
brucei) 		no annotation 4 LEU A  63
LEU A 146
LEU A 384
GLY A 377
 None
 0.96A 1a4lC-6elcA:
undetectable		 1a4lC-6elcA:
13.62
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.
6g2j NADH DEHYDROGENASE
[UBIQUINONE] 1 BETA
SUBCOMPLEX SUBUNIT
11, MITOCHONDRIAL
NADH-UBIQUINONE
OXIDOREDUCTASE CHAIN
4

(Mus musculus) 		no annotation 4 LEU M  36
LEU M  39
LEU M 453
GLY g  71
 3PE  M 504 (-4.2A)
None
3PE  M 503 ( 4.2A)
None
 0.97A 1a4lC-6g2jM:
undetectable		 1a4lC-6g2jM:
12.03