SIMILAR PATTERNS OF AMINO ACIDS FOR 1A4L_D_DCFD1853_1

List of similar pattern of amino acids derived from ASSAM search

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

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

(Maackia
amurensis) 		PF00139
(Lectin_legB) 		5 GLY A  88
GLU A 127
HIS A 145
ASP A 140
ASP A 137
 None
MN  A 302 (-2.8A)
MN  A 302 (-3.2A)
MN  A 302 ( 2.5A)
GAL  A 823 ( 3.1A)
 1.11A 1a4lD-1dbnA:
undetectable		 1a4lD-1dbnA:
22.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1eqw CU,ZN SUPEROXIDE
DISMUTASE

(Salmonella
enterica) 		PF00080
(Sod_Cu) 		5 HIS A  69
ASP A 130
GLY A 138
HIS A  44
HIS A  46
 ZN  A 501 (-2.9A)
None
None
CU  A 502 (-3.3A)
CU  A 502 (-3.2A)
 1.44A 1a4lD-1eqwA:
undetectable		 1a4lD-1eqwA:
19.76
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.
1eso CU, ZN SUPEROXIDE
DISMUTASE

(Escherichia
coli) 		PF00080
(Sod_Cu) 		5 HIS A  69
ASP A 130
GLY A 138
HIS A  44
HIS A  46
 ZN  A 149 ( 3.0A)
None
None
CU  A 150 ( 3.2A)
CU  A 150 ( 3.3A)
 1.49A 1a4lD-1esoA:
undetectable		 1a4lD-1esoA:
18.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1h0n RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE

(Mus musculus) 		PF00268
(Ribonuc_red_sm) 		5 HIS A 173
PHE A 241
GLY A 268
HIS A 270
ASP A 139
 CO  A1353 (-3.2A)
None
None
CO  A1354 (-3.3A)
CO  A1353 (-1.8A)
 1.23A 1a4lD-1h0nA:
undetectable		 1a4lD-1h0nA:
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.
1h0n RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE

(Mus musculus) 		PF00268
(Ribonuc_red_sm) 		5 PHE A 237
PHE A 241
GLY A 268
HIS A 270
ASP A 139
 None
None
None
CO  A1354 (-3.3A)
CO  A1353 (-1.8A)
 1.34A 1a4lD-1h0nA:
undetectable		 1a4lD-1h0nA:
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.
1k0f PERIPLASMIC
ZINC-BINDING PROTEIN
TROA

(Treponema
pallidum) 		PF01297
(ZnuA) 		5 HIS A  68
GLY A 218
GLU A 248
ASP A 279
ASP A  66
 None
 1.15A 1a4lD-1k0fA:
undetectable		 1a4lD-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.
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)
 1.28A 1a4lD-1kq0A:
undetectable		 1a4lD-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  14
ASP A  16
PHE A  58
PHE A  62
MET A 152
ALA A 180
GLY A 181
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)
PRH  A 401 (-4.0A)
ZN  A 501 ( 3.4A)
PRH  A 401 (-4.0A)
PRH  A 401 ( 2.5A)
PRH  A 401 (-3.5A)
 0.60A 1a4lD-1krmA:
58.3		 1a4lD-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
ASP A 293
PHE A  58
ALA A 180
GLY A 181
 PRH  A 401 ( 3.0A)
PRH  A 401 (-3.5A)
None
PRH  A 401 ( 3.8A)
PRH  A 401 (-4.0A)
 1.46A 1a4lD-1krmA:
58.3		 1a4lD-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  58
ALA A 180
GLY A 181
ASP A 292
 PRH  A 401 ( 3.0A)
None
PRH  A 401 ( 3.8A)
PRH  A 401 (-4.0A)
PRH  A 401 ( 2.5A)
 0.96A 1a4lD-1krmA:
58.3		 1a4lD-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) 		11 HIS A  14
PHE A  58
PHE A  62
MET A 152
ALA A 180
GLY A 181
HIS A 211
GLU A 214
HIS A 235
ASP A 292
ASP A 293
 PRH  A 401 ( 3.0A)
None
PRH  A 401 ( 4.4A)
PRH  A 401 (-4.1A)
PRH  A 401 ( 3.8A)
PRH  A 401 (-4.0A)
ZN  A 501 ( 3.4A)
PRH  A 401 (-2.5A)
PRH  A 401 (-4.0A)
PRH  A 401 ( 2.5A)
PRH  A 401 (-3.5A)
 0.44A 1a4lD-1krmA:
58.3		 1a4lD-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  14
PHE A  62
MET A 152
ALA A 180
GLY A 181
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 (-4.0A)
PRH  A 401 (-3.5A)
 1.29A 1a4lD-1krmA:
58.3		 1a4lD-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  14
PHE A  62
MET A 152
ALA A 180
GLY A 181
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 (-4.0A)
PRH  A 401 (-3.5A)
 1.43A 1a4lD-1krmA:
58.3		 1a4lD-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) 		7 PHE A  58
PHE A  62
MET A 152
ALA A 180
GLY A 181
HIS A  12
ASP A 293
 None
PRH  A 401 ( 4.4A)
PRH  A 401 (-4.1A)
PRH  A 401 ( 3.8A)
PRH  A 401 (-4.0A)
ZN  A 501 ( 3.3A)
PRH  A 401 (-3.5A)
 1.33A 1a4lD-1krmA:
58.3		 1a4lD-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.
1kwc 2,3-DIHYDROXYBIPHENY
L DIOXYGENASE

(Pseudomonas sp.
KKS102) 		PF00903
(Glyoxalase) 		5 HIS B 194
ALA B 145
GLY B 144
HIS B 209
ASP B 243
 BPY  B 401 (-4.3A)
None
None
BPY  B 401 (-3.7A)
BPY  B 401 (-3.9A)
 1.37A 1a4lD-1kwcB:
undetectable		 1a4lD-1kwcB:
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.
1li7 CYSTEINYL-TRNA
SYNTHETASE

(Escherichia
coli) 		PF01406
(tRNA-synt_1e)
PF09190
(DALR_2) 		5 PHE A  44
GLY A 225
HIS A 235
GLU A 238
HIS A 234
 None
None
None
ZN  A 963 (-3.8A)
ZN  A 963 ( 3.1A)
 1.49A 1a4lD-1li7A:
undetectable		 1a4lD-1li7A:
22.71
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.
1o0x METHIONINE
AMINOPEPTIDASE

(Thermotoga
maritima) 		PF00557
(Peptidase_M24) 		5 PHE A  62
ALA A 205
HIS A 174
HIS A 181
ASP A 100
 None
 1.43A 1a4lD-1o0xA:
undetectable		 1a4lD-1o0xA:
24.86
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.
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)
 1.21A 1a4lD-1r2fA:
undetectable		 1a4lD-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.
1toa PROTEIN (PERIPLASMIC
BINDING PROTEIN
TROA)

(Treponema
pallidum) 		PF01297
(ZnuA) 		5 HIS A  68
GLY A 218
GLU A 248
ASP A 279
ASP A  66
 ZN  A 501 ( 3.4A)
None
None
ZN  A 501 ( 2.0A)
None
 1.10A 1a4lD-1toaA:
undetectable		 1a4lD-1toaA:
21.76
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) 		6 HIS A  17
ASP A  19
PHE A  61
PHE A  65
HIS A  15
ASP A 296
 HPR  A 353 ( 3.1A)
HPR  A 353 (-2.7A)
HPR  A 353 (-4.6A)
HPR  A 353 (-3.9A)
ZN  A 400 (-3.4A)
HPR  A 353 (-2.6A)
 1.47A 1a4lD-1uioA:
63.3		 1a4lD-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) 		11 HIS A  17
ASP A  19
PHE A  61
PHE A  65
MET A 155
ALA A 183
GLY A 184
HIS A 214
GLU A 217
ASP A 295
ASP A 296
 HPR  A 353 ( 3.1A)
HPR  A 353 (-2.7A)
HPR  A 353 (-4.6A)
HPR  A 353 (-3.9A)
HPR  A 353 (-4.1A)
HPR  A 353 (-3.2A)
HPR  A 353 (-3.8A)
ZN  A 400 ( 3.3A)
HPR  A 353 (-2.7A)
HPR  A 353 ( 2.5A)
HPR  A 353 (-2.6A)
 0.33A 1a4lD-1uioA:
63.3		 1a4lD-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
ASP A 296
PHE A  61
ALA A 183
GLY A 184
 HPR  A 353 ( 3.1A)
HPR  A 353 (-2.6A)
HPR  A 353 (-4.6A)
HPR  A 353 (-3.2A)
HPR  A 353 (-3.8A)
 1.45A 1a4lD-1uioA:
63.3		 1a4lD-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 HIS A  17
MET A 155
ALA A 183
GLY A 184
HIS A 214
GLU A 217
ASP A 296
 HPR  A 353 ( 3.1A)
HPR  A 353 (-4.1A)
HPR  A 353 (-3.2A)
HPR  A 353 (-3.8A)
ZN  A 400 ( 3.3A)
HPR  A 353 (-2.7A)
HPR  A 353 (-2.6A)
 1.24A 1a4lD-1uioA:
63.3		 1a4lD-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  61
ALA A 183
GLY A 184
ASP A 295
 HPR  A 353 ( 3.1A)
HPR  A 353 (-4.6A)
HPR  A 353 (-3.2A)
HPR  A 353 (-3.8A)
HPR  A 353 ( 2.5A)
 0.99A 1a4lD-1uioA:
63.3		 1a4lD-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 HIS A  17
PHE A  65
MET A 155
ALA A 183
GLY A 184
HIS A 214
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 (-3.8A)
ZN  A 400 ( 3.3A)
HPR  A 353 (-2.6A)
 1.40A 1a4lD-1uioA:
63.3		 1a4lD-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 300
PHE A  61
HIS A  15
ASP A 296
 HPR  A 353 ( 3.1A)
None
HPR  A 353 (-4.6A)
ZN  A 400 (-3.4A)
HPR  A 353 (-2.6A)
 1.28A 1a4lD-1uioA:
63.3		 1a4lD-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) 		8 PHE A  61
PHE A  65
MET A 155
ALA A 183
GLY A 184
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)
HPR  A 353 (-3.8A)
ZN  A 400 (-3.4A)
HPR  A 353 ( 2.5A)
HPR  A 353 (-2.6A)
 1.42A 1a4lD-1uioA:
63.3		 1a4lD-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.
1vme FLAVOPROTEIN

(Thermotoga
maritima) 		PF00258
(Flavodoxin_1) 		5 HIS A 228
HIS A  90
GLU A  87
HIS A  85
ASP A 168
 FEO  A 401 (-3.3A)
FEO  A 401 (-3.3A)
FEO  A 401 (-2.9A)
FEO  A 401 (-3.4A)
FEO  A 401 (-2.5A)
 1.34A 1a4lD-1vmeA:
undetectable		 1a4lD-1vmeA:
22.22
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.
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)
 1.30A 1a4lD-1wkmA:
undetectable		 1a4lD-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) 		6 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 ( 3.1A)
CF5  A 841 (-2.6A)
CF5  A 841 (-4.2A)
CF5  A 841 ( 2.5A)
CF5  A 841 (-2.5A)
 0.65A 1a4lD-2a3lA:
20.5		 1a4lD-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.
2amx ADENOSINE DEAMINASE

(Plasmodium
yoelii) 		PF00962
(A_deaminase) 		7 HIS A  57
ASP A  59
GLY A 213
GLU A 242
HIS A 266
ASP A 323
ASP A 324
 CO  A1000 (-3.2A)
None
None
UNX  A2004 ( 4.8A)
None
CO  A1000 (-2.7A)
None
 0.75A 1a4lD-2amxA:
39.9		 1a4lD-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) 		9 HIS A  57
ASP A  59
PHE A 101
GLY A 214
HIS A 239
GLU A 242
HIS A 266
ASP A 323
ASP A 324
 CO  A1000 (-3.2A)
None
UNX  A2004 ( 4.8A)
None
CO  A1000 (-3.4A)
UNX  A2004 ( 4.8A)
None
CO  A1000 (-2.7A)
None
 0.65A 1a4lD-2amxA:
39.9		 1a4lD-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  57
PHE A 328
PHE A 101
HIS A  55
ASP A 324
 CO  A1000 (-3.2A)
None
UNX  A2004 ( 4.8A)
CO  A1000 (-3.3A)
None
 1.36A 1a4lD-2amxA:
39.9		 1a4lD-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.
2bty ACETYLGLUTAMATE
KINASE

(Thermotoga
maritima) 		PF00696
(AA_kinase) 		5 HIS A 253
PHE A  24
PHE A  19
ALA A 251
GLY A 250
 ARG  A1283 ( 4.9A)
None
ARG  A1283 (-4.7A)
None
None
 1.37A 1a4lD-2btyA:
undetectable		 1a4lD-2btyA:
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.
2i9u CYTOSINE/GUANINE
DEAMINASE RELATED
PROTEIN

(Clostridium
acetobutylicum) 		PF01979
(Amidohydro_1) 		5 HIS A  75
HIS A 229
GLU A 232
HIS A 269
ASP A 320
 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)
 0.48A 1a4lD-2i9uA:
21.4		 1a4lD-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  99
PHE A 107
HIS A 238
GLU A 241
HIS A 301
ASP A 352
 ZN  A 500 (-3.2A)
None
ZN  A 500 (-3.2A)
None
None
ZN  A 500 (-3.9A)
 0.84A 1a4lD-2imrA:
17.6		 1a4lD-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) 		5 HIS A  99
PHE A 113
HIS A 238
HIS A 301
ASP A 352
 ZN  A 500 (-3.2A)
None
ZN  A 500 (-3.2A)
None
ZN  A 500 (-3.9A)
 0.90A 1a4lD-2imrA:
17.6		 1a4lD-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) 		5 HIS A  81
HIS A 234
GLU A 237
HIS A 273
ASP A 326
 ZN  A 500 ( 3.3A)
GUN  A 600 ( 2.8A)
GUN  A 600 (-2.8A)
GUN  A 600 (-3.9A)
GUN  A 600 ( 2.5A)
 0.43A 1a4lD-2oodA:
21.1		 1a4lD-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
 1.34A 1a4lD-2pokA:
undetectable		 1a4lD-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
 1.10A 1a4lD-2pokA:
undetectable		 1a4lD-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.
2q9u A-TYPE FLAVOPROTEIN

(Giardia
intestinalis) 		no annotation 5 HIS A  85
ASP A 155
GLY A  88
HIS A 230
ASP A 171
 FEO  A 701 (-3.5A)
None
None
FEO  A 701 ( 3.3A)
FEO  A 701 ( 2.5A)
 1.32A 1a4lD-2q9uA:
undetectable		 1a4lD-2q9uA:
21.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2q9u A-TYPE FLAVOPROTEIN

(Giardia
intestinalis) 		no annotation 5 HIS A 230
HIS A  90
GLU A  87
HIS A  85
ASP A 171
 FEO  A 701 ( 3.3A)
FEO  A 701 (-3.3A)
FEO  A 701 (-2.9A)
FEO  A 701 (-3.5A)
FEO  A 701 ( 2.5A)
 1.35A 1a4lD-2q9uA:
undetectable		 1a4lD-2q9uA:
21.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qt3 N-ISOPROPYLAMMELIDE
ISOPROPYL
AMIDOHYDROLASE

(Pseudomonas sp.
ADP) 		PF01979
(Amidohydro_1) 		5 HIS A  62
ASP A  64
HIS A 217
HIS A 249
ASP A 303
 ZN  A 501 (-3.3A)
None
ZN  A 501 (-3.5A)
None
ZN  A 501 (-3.2A)
 0.88A 1a4lD-2qt3A:
21.6		 1a4lD-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.
2r7d RIBONUCLEASE II
FAMILY PROTEIN

(Deinococcus
radiodurans) 		PF00773
(RNB) 		5 ALA A 247
GLY A 251
HIS A 394
HIS A 393
ASP A  51
 None
 1.25A 1a4lD-2r7dA:
undetectable		 1a4lD-2r7dA:
22.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2v4j SULFITE REDUCTASE,
DISSIMILATORY-TYPE
SUBUNIT ALPHA
SULFITE REDUCTASE,
DISSIMILATORY-TYPE
SUBUNIT BETA

(Desulfovibrio
vulgaris) 		PF01077
(NIR_SIR)
PF03460
(NIR_SIR_ferr) 		5 HIS A 206
ASP B  20
PHE A 153
GLY A  75
ASP A 163
 None
 1.40A 1a4lD-2v4jA:
undetectable		 1a4lD-2v4jA:
20.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xr1 CLEAVAGE AND
POLYADENYLATION
SPECIFICITY FACTOR
100 KD SUBUNIT

(Methanosarcina
mazei) 		PF07521
(RMMBL)
PF07650
(KH_2)
PF10996
(Beta-Casp)
PF16661
(Lactamase_B_6)
PF17214
(KH_7) 		5 HIS A 244
GLY A 579
HIS A 329
GLU A 377
ASP A 246
 ZN  A1638 (-3.0A)
None
ZN  A1638 (-3.5A)
None
ZN  A1639 (-2.7A)
 1.35A 1a4lD-2xr1A:
undetectable		 1a4lD-2xr1A:
20.77
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.
3azq AMINOPEPTIDASE

(Streptomyces
morookaense) 		PF00326
(Peptidase_S9) 		5 ALA A 315
GLY A 314
GLU A 285
HIS A 311
ASP A 330
 None
SO4  A1006 ( 3.8A)
None
None
None
 1.42A 1a4lD-3azqA:
undetectable		 1a4lD-3azqA:
19.35
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.
3e0l GUANINE DEAMINASE

(Homo sapiens) 		PF01979
(Amidohydro_1) 		5 HIS A  84
HIS A 238
GLU A 241
HIS A 277
ASP A 328
 ZN  A1452 (-3.1A)
ZN  A1452 (-3.2A)
None
None
ZN  A1452 (-2.8A)
 0.48A 1a4lD-3e0lA:
21.2		 1a4lD-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) 		8 HIS A  44
ASP A  46
PHE A  88
GLY A 199
GLU A 228
HIS A 252
ASP A 309
ASP A 310
 MCF  A 372 ( 3.3A)
MCF  A 372 (-3.5A)
MCF  A 372 (-4.5A)
MCF  A 372 ( 3.9A)
MCF  A 372 (-2.8A)
MCF  A 372 (-4.1A)
MCF  A 372 ( 2.4A)
MCF  A 372 (-2.9A)
 0.79A 1a4lD-3ewdA:
42.4		 1a4lD-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) 		9 HIS A  44
ASP A  46
PHE A  88
GLY A 200
HIS A 225
GLU A 228
HIS A 252
ASP A 309
ASP A 310
 MCF  A 372 ( 3.3A)
MCF  A 372 (-3.5A)
MCF  A 372 (-4.5A)
MCF  A 372 (-3.4A)
ZN  A 371 ( 3.4A)
MCF  A 372 (-2.8A)
MCF  A 372 (-4.1A)
MCF  A 372 ( 2.4A)
MCF  A 372 (-2.9A)
 0.57A 1a4lD-3ewdA:
42.4		 1a4lD-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) 		6 HIS A  63
ASP A  65
HIS A 214
GLU A 217
HIS A 246
ASP A 313
 FE  A 502 (-3.1A)
None
FE  A 502 (-3.6A)
None
FE  A 502 ( 4.8A)
FE  A 502 (-3.2A)
 0.73A 1a4lD-3g77A:
23.0		 1a4lD-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.
3giu PYRROLIDONE-CARBOXYL
ATE PEPTIDASE

(Staphylococcus
aureus) 		PF01470
(Peptidase_C15) 		5 HIS A 103
ASP A 105
GLY A 149
HIS A 147
HIS A 143
 None
 1.34A 1a4lD-3giuA:
undetectable		 1a4lD-3giuA:
18.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ie1 RIBONUCLEASE
TTHA0252

(Thermus
thermophilus) 		PF00753
(Lactamase_B)
PF07521
(RMMBL)
PF10996
(Beta-Casp) 		5 HIS A  61
PHE A 223
GLY A 379
HIS A 141
ASP A  63
 ZN  A 453 (-3.4A)
U  E   1 ( 3.9A)
SO4  A 447 (-3.8A)
ZN  A 453 (-3.3A)
ZN  A 452 (-2.5A)
 1.37A 1a4lD-3ie1A:
undetectable		 1a4lD-3ie1A:
23.18
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.
3ie1 RIBONUCLEASE
TTHA0252

(Thermus
thermophilus) 		PF00753
(Lactamase_B)
PF07521
(RMMBL)
PF10996
(Beta-Casp) 		5 HIS A  61
PHE A 223
GLY A 379
HIS A 400
ASP A  63
 ZN  A 453 (-3.4A)
U  E   1 ( 3.9A)
SO4  A 447 (-3.8A)
ZN  A 452 (-3.3A)
ZN  A 452 (-2.5A)
 1.31A 1a4lD-3ie1A:
undetectable		 1a4lD-3ie1A:
23.18
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.
3k0z PUTATIVE POLYKETIDE
CYCLASE

(Bacillus cereus) 		PF07366
(SnoaL) 		5 HIS A 161
PHE A  62
PHE A  82
ASP A 147
ASP A 159
 None
 1.18A 1a4lD-3k0zA:
undetectable		 1a4lD-3k0zA:
19.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lgg ADENOSINE DEAMINASE
CECR1

(Homo sapiens) 		PF00962
(A_deaminase)
PF08451
(A_deaminase_N) 		8 HIS A  88
ASP A  89
GLY A 300
HIS A 330
GLU A 333
HIS A 358
ASP A 415
ASP A 416
 CFE  A 513 ( 3.3A)
CFE  A 513 (-3.0A)
CFE  A 513 (-3.3A)
ZN  A 512 ( 3.5A)
CFE  A 513 (-3.0A)
CFE  A 513 ( 4.3A)
CFE  A 513 ( 2.8A)
CFE  A 513 (-2.8A)
 0.98A 1a4lD-3lggA:
33.5		 1a4lD-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) 		5 HIS A  88
PHE A 181
GLY A 300
HIS A 330
ASP A 416
 CFE  A 513 ( 3.3A)
CFE  A 513 (-4.8A)
CFE  A 513 (-3.3A)
ZN  A 512 ( 3.5A)
CFE  A 513 (-2.8A)
 1.35A 1a4lD-3lggA:
33.5		 1a4lD-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) 		8 HIS A  88
PHE A 181
PHE A 185
GLY A 300
HIS A 330
HIS A 358
ASP A 415
ASP A 416
 CFE  A 513 ( 3.3A)
CFE  A 513 (-4.8A)
CFE  A 513 ( 3.7A)
CFE  A 513 (-3.3A)
ZN  A 512 ( 3.5A)
CFE  A 513 ( 4.3A)
CFE  A 513 ( 2.8A)
CFE  A 513 (-2.8A)
 0.59A 1a4lD-3lggA:
33.5		 1a4lD-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) 		8 HIS A  88
PHE A 185
GLY A 300
HIS A 330
GLU A 333
HIS A 358
ASP A 415
ASP A 416
 CFE  A 513 ( 3.3A)
CFE  A 513 ( 3.7A)
CFE  A 513 (-3.3A)
ZN  A 512 ( 3.5A)
CFE  A 513 (-3.0A)
CFE  A 513 ( 4.3A)
CFE  A 513 ( 2.8A)
CFE  A 513 (-2.8A)
 0.41A 1a4lD-3lggA:
33.5		 1a4lD-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.
3lmf UNCHARACTERIZED
PROTEIN

(Nitrosospira
multiformis) 		no annotation 5 HIS A  32
ALA A  36
GLY A  37
HIS A  40
HIS A  45
 None
 1.38A 1a4lD-3lmfA:
undetectable		 1a4lD-3lmfA:
15.00
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.
3mdu N-FORMIMINO-L-GLUTAM
ATE IMINOHYDROLASE

(Pseudomonas
aeruginosa) 		PF01979
(Amidohydro_1) 		5 HIS A  58
HIS A 232
GLU A 235
HIS A 269
ASP A 320
 ZN  A 454 ( 3.2A)
ZN  A 454 (-3.3A)
NGQ  A 455 (-2.9A)
None
ZN  A 454 (-2.9A)
 0.34A 1a4lD-3mduA:
21.3		 1a4lD-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) 		5 HIS A  58
PHE A  60
HIS A 232
HIS A 269
ASP A 320
 ZN  A 454 ( 3.2A)
None
ZN  A 454 (-3.3A)
None
ZN  A 454 (-2.9A)
 1.29A 1a4lD-3mduA:
21.3		 1a4lD-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) 		6 HIS A  18
ASP A 100
PHE A  59
GLU A 199
HIS A 220
ASP A 277
 ADE  A 328 ( 3.0A)
None
None
ADE  A 328 (-3.0A)
ADE  A 328 ( 4.2A)
ZN  A 327 ( 2.6A)
 1.34A 1a4lD-3paoA:
39.6		 1a4lD-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) 		7 HIS A  18
PHE A  59
HIS A 196
GLU A 199
HIS A 220
ASP A 277
ASP A 278
 ADE  A 328 ( 3.0A)
None
ZN  A 327 ( 3.5A)
ADE  A 328 (-3.0A)
ADE  A 328 ( 4.2A)
ZN  A 327 ( 2.6A)
ADE  A 328 (-2.8A)
 0.52A 1a4lD-3paoA:
39.6		 1a4lD-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  18
PHE A 282
PHE A  59
HIS A 196
ASP A 278
 ADE  A 328 ( 3.0A)
None
None
ZN  A 327 ( 3.5A)
ADE  A 328 (-2.8A)
 1.41A 1a4lD-3paoA:
39.6		 1a4lD-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.
3pjl 34 KDA MEMBRANE
ANTIGEN

(Treponema
pallidum) 		PF10634
(Iron_transport) 		5 HIS A 124
ALA A 119
GLY A 120
GLU A  30
ASP A  74
 CO  A 186 (-3.3A)
None
None
EDO  A 189 (-4.4A)
None
 1.39A 1a4lD-3pjlA:
undetectable		 1a4lD-3pjlA:
18.91
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.
3rys ADENOSINE DEAMINASE
1

(Paenarthrobacter
aurescens) 		PF00962
(A_deaminase) 		6 HIS A  21
ASP A 103
PHE A  62
GLU A 202
HIS A 223
ASP A 280
 ADE  A 345 ( 3.2A)
None
None
ADE  A 345 (-2.8A)
ADE  A 345 ( 4.2A)
ZN  A 344 ( 2.5A)
 1.31A 1a4lD-3rysA:
40.7		 1a4lD-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) 		7 HIS A  21
PHE A  62
HIS A 199
GLU A 202
HIS A 223
ASP A 280
ASP A 281
 ADE  A 345 ( 3.2A)
None
ZN  A 344 ( 3.4A)
ADE  A 345 (-2.8A)
ADE  A 345 ( 4.2A)
ZN  A 344 ( 2.5A)
ADE  A 345 (-2.8A)
 0.48A 1a4lD-3rysA:
40.7		 1a4lD-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  21
PHE A 285
PHE A  62
HIS A 199
ASP A 281
 ADE  A 345 ( 3.2A)
None
None
ZN  A 344 ( 3.4A)
ADE  A 345 (-2.8A)
 1.41A 1a4lD-3rysA:
40.7		 1a4lD-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.
3t8l ADENINE DEAMINASE 2

(Agrobacterium
fabrum) 		PF01979
(Amidohydro_1)
PF13382
(Adenine_deam_C) 		5 HIS A  94
GLU A 240
HIS A 239
ASP A 289
ASP A 290
 UNX  A 608 ( 3.4A)
UNX  A 606 ( 3.0A)
UNX  A 606 ( 3.6A)
UNX  A 608 ( 2.4A)
None
 1.07A 1a4lD-3t8lA:
16.6		 1a4lD-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) 		5 HIS A  63
HIS A 206
GLU A 209
HIS A 257
ASP A 306
 FE  A 429 (-3.2A)
FE  A 429 (-3.3A)
UNL  A 436 ( 2.8A)
None
FE  A 429 (-3.1A)
 0.33A 1a4lD-3v7pA:
19.9		 1a4lD-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.
3vpo RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE
SUBUNIT M2

(Homo sapiens) 		PF00268
(Ribonuc_red_sm) 		5 HIS A 172
PHE A 236
PHE A 240
GLY A 267
HIS A 269
 None
None
None
None
FE  A 402 (-3.3A)
 1.28A 1a4lD-3vpoA:
undetectable		 1a4lD-3vpoA:
18.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4djn RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE
SUBUNIT M2 B

(Homo sapiens) 		PF00268
(Ribonuc_red_sm) 		5 HIS A 134
PHE A 198
GLY A 229
HIS A 231
ASP A 100
 None
 1.28A 1a4lD-4djnA:
undetectable		 1a4lD-4djnA:
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.
4djn RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE
SUBUNIT M2 B

(Homo sapiens) 		PF00268
(Ribonuc_red_sm) 		5 HIS A 134
PHE A 198
PHE A 202
GLY A 229
HIS A 231
 None
 1.34A 1a4lD-4djnA:
undetectable		 1a4lD-4djnA:
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.
4dyk AMIDOHYDROLASE

(Pseudomonas
aeruginosa) 		PF01979
(Amidohydro_1) 		5 HIS A  74
HIS A 221
GLU A 224
HIS A 258
ASP A 309
 ZN  A 501 (-3.2A)
ZN  A 501 (-3.3A)
None
None
ZN  A 501 (-2.6A)
 0.43A 1a4lD-4dykA:
20.9		 1a4lD-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) 		5 HIS A  80
HIS A 227
GLU A 230
HIS A 264
ASP A 315
 ZN  A 504 (-3.1A)
ZN  A 504 (-3.3A)
ZN  A 505 ( 4.2A)
ZN  A 505 ( 4.8A)
ZN  A 505 ( 2.0A)
 0.45A 1a4lD-4dzhA:
20.6		 1a4lD-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.
4ewt PEPTIDASE,
M20/M25/M40 FAMILY

(Staphylococcus
aureus) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		5 HIS A 108
PHE A 346
MET A 166
GLU A 139
ASP A  78
 None
None
None
MN  A 401 ( 2.2A)
MN  A 402 ( 4.4A)
 1.35A 1a4lD-4ewtA:
undetectable		 1a4lD-4ewtA:
22.83
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.
4f0l AMIDOHYDROLASE

(Brucella
abortus) 		PF01979
(Amidohydro_1) 		5 HIS A  63
HIS A 237
GLU A 240
HIS A 274
ASP A 325
 FE  A 501 (-3.4A)
FE  A 501 (-3.5A)
None
None
FE  A 501 (-2.8A)
 0.35A 1a4lD-4f0lA:
20.2		 1a4lD-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.
4f0l AMIDOHYDROLASE

(Brucella
abortus) 		PF01979
(Amidohydro_1) 		5 HIS A  63
PHE A  65
HIS A 237
HIS A 274
ASP A 325
 FE  A 501 (-3.4A)
None
FE  A 501 (-3.5A)
None
FE  A 501 (-2.8A)
 1.34A 1a4lD-4f0lA:
20.2		 1a4lD-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) 		5 HIS A  72
HIS A 219
GLU A 222
HIS A 256
ASP A 307
 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)
 0.46A 1a4lD-4f0sA:
21.4		 1a4lD-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) 		6 HIS A  36
HIS A 215
GLU A 218
HIS A 240
ASP A 300
ASP A 301
 ZN  A 401 (-3.3A)
ZN  A 401 (-3.4A)
None
None
ZN  A 401 (-2.6A)
None
 0.47A 1a4lD-4gxwA:
39.6		 1a4lD-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.
4oxr MANGANESE ABC
TRANSPORTER,
PERIPLASMIC-BINDING
PROTEIN SITA

(Staphylococcus
pseudintermedius) 		PF01297
(ZnuA) 		5 HIS A  64
GLY A 204
HIS A 137
ASP A 278
ASP A  62
 MN  A 401 (-3.4A)
None
MN  A 401 (-3.4A)
MN  A 401 (-2.0A)
None
 1.19A 1a4lD-4oxrA:
undetectable		 1a4lD-4oxrA:
22.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 1.30A 1a4lD-4q7aA:
undetectable		 1a4lD-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.
4qn9 N-ACYL-PHOSPHATIDYLE
THANOLAMINE-HYDROLYZ
ING PHOSPHOLIPASE D

(Homo sapiens) 		PF12706
(Lactamase_B_2) 		5 ALA A 310
GLY A 309
HIS A 321
HIS A 253
ASP A 189
 3PE  A 503 ( 4.7A)
None
3PE  A 503 (-3.8A)
ZN  A 501 ( 3.5A)
ZN  A 502 ( 2.5A)
 1.10A 1a4lD-4qn9A:
2.3		 1a4lD-4qn9A:
21.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4r85 CYTOSINE DEAMINASE

(Klebsiella
pneumoniae) 		PF07969
(Amidohydro_3) 		6 HIS A  58
ASP A  60
HIS A 209
GLU A 212
HIS A 241
ASP A 308
 FE2  A 502 ( 3.5A)
None
FE2  A 502 ( 3.4A)
17E  A 501 (-2.9A)
FE2  A 502 ( 3.7A)
FE2  A 502 ( 2.8A)
 0.91A 1a4lD-4r85A:
22.6		 1a4lD-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) 		5 HIS A  68
HIS A 243
GLU A 246
HIS A 276
ASP A 327
 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)
 0.57A 1a4lD-4v1yA:
22.0		 1a4lD-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)
 1.31A 1a4lD-4x8iA:
undetectable		 1a4lD-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.
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)
 1.15A 1a4lD-5aebA:
undetectable		 1a4lD-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.
5cbk SHHTL5

(Striga
hermonthica) 		PF12697
(Abhydrolase_6) 		5 HIS A  24
MET A 181
ALA A  54
GLY A  53
HIS A   8
 None
 1.13A 1a4lD-5cbkA:
undetectable		 1a4lD-5cbkA:
19.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fll 6-CARBOXYHEXANOATE-C
OA LIGASE

(Bacillus
subtilis) 		PF03744
(BioW) 		5 MET A  12
GLY A  29
HIS A  26
ASP A 195
ASP A 196
 None
PPV  A 701 (-3.7A)
PPV  A 701 (-3.8A)
MG  A 704 (-2.7A)
MG  A 704 (-2.6A)
 1.40A 1a4lD-5fllA:
undetectable		 1a4lD-5fllA:
23.03
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.
5gw7 GLUCOSIDASE YGJK

(Escherichia
coli) 		PF01204
(Trehalase) 		5 ASP A 362
PHE A 365
ALA A 442
GLY A 441
HIS A 448
 None
 1.49A 1a4lD-5gw7A:
undetectable		 1a4lD-5gw7A:
20.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5i4k MANGANESE-BINDING
LIPOPROTEIN MNTA

(Listeria
monocytogenes) 		PF01297
(ZnuA) 		5 HIS A  67
GLY A 207
HIS A 140
ASP A 281
ASP A  65
 MN  A 501 (-3.4A)
None
MN  A 501 (-3.3A)
MN  A 501 (-2.0A)
None
 1.26A 1a4lD-5i4kA:
undetectable		 1a4lD-5i4kA:
22.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jm6 AMINOPEPTIDASE-LIKE
PROTEIN

(Chaetomium
thermophilum) 		PF02127
(Peptidase_M18) 		5 HIS A 485
ALA A 162
GLU A 339
HIS A 133
ASP A 306
 ZN  A 601 (-3.0A)
None
ZN  A 602 (-3.5A)
ZN  A 602 (-3.3A)
ZN  A 601 ( 2.1A)
 1.43A 1a4lD-5jm6A:
undetectable		 1a4lD-5jm6A:
20.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5lmc ANAEROBIC NITRIC
OXIDE REDUCTASE
FLAVORUBREDOXIN

(Escherichia
coli) 		PF00258
(Flavodoxin_1)
PF00301
(Rubredoxin)
PF00753
(Lactamase_B) 		5 HIS A 227
HIS A  84
GLU A  81
HIS A  79
ASP A 166
 FEO  A 501 ( 3.3A)
FEO  A 501 (-3.2A)
FEO  A 501 (-3.1A)
FEO  A 501 (-3.3A)
FEO  A 501 ( 2.5A)
 1.35A 1a4lD-5lmcA:
undetectable		 1a4lD-5lmcA:
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.
5o25 TMPDE

(Thermotoga
maritima) 		no annotation 5 HIS A 104
GLY A 285
HIS A  19
ASP A  80
ASP A 103
 MN  A 402 (-3.5A)
PG4  A 403 (-3.5A)
MN  A 401 (-3.5A)
MN  A 401 ( 2.6A)
None
 1.48A 1a4lD-5o25A:
undetectable		 1a4lD-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.
5tp4 AMIDASE,
HYDANTOINASE/CARBAMO
YLASE FAMILY

(Burkholderia
ambifaria) 		PF01546
(Peptidase_M20) 		5 ALA A 356
GLY A 355
HIS A 358
HIS A 190
ASP A  95
 MES  A 503 (-3.7A)
None
None
ZN  A 501 (-3.6A)
ZN  A 502 ( 4.1A)
 1.47A 1a4lD-5tp4A:
undetectable		 1a4lD-5tp4A:
20.76
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.
5w57 PERIPLASMIC SOLUTE
BINDING PROTEIN

(Paracoccus
denitrificans) 		PF01297
(ZnuA) 		5 HIS A  61
GLY A 223
GLU A 253
ASP A 279
ASP A  59
 ZN  A 401 (-3.2A)
None
None
ZN  A 401 (-2.3A)
None
 1.30A 1a4lD-5w57A:
undetectable		 1a4lD-5w57A:
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.
5wru PROBABLE INORGANIC
PYROPHOSPHATASE

(Plasmodium
falciparum) 		no annotation 5 ALA A 170
GLY A 169
GLU A 138
ASP A 198
ASP A 235
 None
 1.31A 1a4lD-5wruA:
undetectable		 1a4lD-5wruA:
20.55
Potential target for repurposing, i.e. matched protein structure has less than 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)
 1.26A 1a4lD-5x7lA:
undetectable		 1a4lD-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
 1.14A 1a4lD-5xoyA:
undetectable		 1a4lD-5xoyA:
24.34