SIMILAR PATTERNS OF AMINO ACIDS FOR 1A4L_D_DCFD1853

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
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1aso ASCORBATE OXIDASE

(Cucurbita pepo) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		4 HIS A 450
LEU A 371
LEU A 369
LEU A 349
 CU  A 555 ( 3.2A)
None
None
None
 1.24A 1a4lD-1asoA:
undetectable		 1a4lD-1asoA:
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.
1f1z TNSA ENDONUCLEASE

(Escherichia
coli) 		PF08721
(Tn7_Tnp_TnsA_C)
PF08722
(Tn7_Tnp_TnsA_N) 		4 HIS A  50
LEU A 202
LEU A 198
LEU A 191
 None
 1.25A 1a4lD-1f1zA:
undetectable		 1a4lD-1f1zA:
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.
1gk2 HISTIDINE
AMMONIA-LYASE

(Pseudomonas
putida) 		PF00221
(Lyase_aromatic) 		4 HIS A 270
LEU A 282
LEU A 358
LEU A 371
 None
 1.25A 1a4lD-1gk2A:
undetectable		 1a4lD-1gk2A:
19.96
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) 		4 HIS A  12
LEU A  55
LEU A  59
LEU A 103
 ZN  A 501 ( 3.3A)
None
PRH  A 401 (-4.5A)
PRH  A 401 (-4.4A)
 0.54A 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.
1nfp LUXF GENE PRODUCT

(Photobacterium
leiognathi) 		PF00296
(Bac_luciferase) 		4 HIS A  50
LEU A 128
LEU A 130
LEU A 145
 None
 1.14A 1a4lD-1nfpA:
undetectable		 1a4lD-1nfpA:
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.
1rrh SEED LIPOXYGENASE-3

(Glycine max) 		PF00305
(Lipoxygenase)
PF01477
(PLAT) 		4 HIS A 709
LEU A 277
LEU A 560
LEU A 258
 FE2  A 858 ( 3.4A)
None
None
None
 1.13A 1a4lD-1rrhA:
undetectable		 1a4lD-1rrhA:
18.66
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) 		4 HIS A  15
LEU A  58
LEU A  62
LEU A 106
 ZN  A 400 (-3.4A)
None
HPR  A 353 (-4.5A)
None
 0.26A 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.
1un9 DIHYDROXYACETONE
KINASE

(Citrobacter
freundii) 		PF02733
(Dak1)
PF02734
(Dak2) 		4 HIS A 404
LEU A 410
LEU A 416
LEU A 424
 None
 1.22A 1a4lD-1un9A:
undetectable		 1a4lD-1un9A:
21.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vme FLAVOPROTEIN

(Thermotoga
maritima) 		PF00258
(Flavodoxin_1) 		4 HIS A 103
LEU A  69
LEU A  44
LEU A  47
 None
 1.23A 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.
1wl4 ACETYL-COENZYME A
ACETYLTRANSFERASE 2

(Homo sapiens) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		4 HIS A 159
LEU A 355
LEU A  61
LEU A 128
 COA  A1001 (-4.5A)
CSO  A  92 ( 4.6A)
None
None
 1.18A 1a4lD-1wl4A:
undetectable		 1a4lD-1wl4A:
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.
1x7f OUTER SURFACE
PROTEIN

(Bacillus cereus) 		PF05913
(DUF871) 		4 HIS A 183
LEU A 238
LEU A 241
LEU A 347
 None
 1.25A 1a4lD-1x7fA:
4.5		 1a4lD-1x7fA:
23.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yfm FUMARASE

(Saccharomyces
cerevisiae) 		PF00206
(Lyase_1)
PF10415
(FumaraseC_C) 		4 HIS A 296
LEU A  70
LEU A 395
LEU A 306
 None
 0.94A 1a4lD-1yfmA:
undetectable		 1a4lD-1yfmA:
22.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yxa SERINE (OR CYSTEINE)
PROTEINASE
INHIBITOR, CLADE A,
MEMBER 3N

(Mus musculus) 		PF00079
(Serpin) 		4 HIS A 114
LEU A 139
LEU A 205
LEU A 326
 None
 1.25A 1a4lD-1yxaA:
undetectable		 1a4lD-1yxaA:
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.
1z7d ORNITHINE
AMINOTRANSFERASE

(Plasmodium
yoelii) 		PF00202
(Aminotran_3) 		4 HIS A 249
LEU A 388
LEU A 309
LEU A  99
 None
 1.08A 1a4lD-1z7dA:
2.3		 1a4lD-1z7dA:
24.76
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.
1z7d ORNITHINE
AMINOTRANSFERASE

(Plasmodium
yoelii) 		PF00202
(Aminotran_3) 		4 HIS A 249
LEU A 388
LEU A 309
LEU A 100
 None
 1.22A 1a4lD-1z7dA:
2.3		 1a4lD-1z7dA:
24.76
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.
1zl9 GLUTATHIONE
S-TRANSFERASE 5

(Caenorhabditis
elegans) 		PF02798
(GST_N)
PF14497
(GST_C_3) 		4 HIS A  67
LEU A 138
LEU A 150
LEU A 155
 None
 1.16A 1a4lD-1zl9A:
undetectable		 1a4lD-1zl9A:
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.
2aja ANKYRIN REPEAT
FAMILY PROTEIN

(Legionella
pneumophila) 		no annotation 4 HIS A 140
LEU A  25
LEU A  67
LEU A  81
 None
 1.25A 1a4lD-2ajaA:
undetectable		 1a4lD-2ajaA:
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.
2akj FERREDOXIN--NITRITE
REDUCTASE,
CHLOROPLAST

(Spinacia
oleracea) 		PF01077
(NIR_SIR)
PF03460
(NIR_SIR_ferr) 		4 HIS A 357
LEU A 418
LEU A 417
LEU A 396
 None
 1.13A 1a4lD-2akjA:
undetectable		 1a4lD-2akjA:
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.
2cev PROTEIN (ARGINASE)

([Bacillus]
caldovelox) 		PF00491
(Arginase) 		4 HIS A 252
LEU A  39
LEU A  36
LEU A  95
 GAI  A1001 (-4.9A)
None
None
None
 1.20A 1a4lD-2cevA:
undetectable		 1a4lD-2cevA:
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.
2cyb TYROSYL-TRNA
SYNTHETASE

(Archaeoglobus
fulgidus) 		PF00579
(tRNA-synt_1b) 		4 HIS A 184
LEU A  56
LEU A  59
LEU A  26
 None
 1.22A 1a4lD-2cybA:
undetectable		 1a4lD-2cybA:
23.31
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.
2dfv PROBABLE L-THREONINE
3-DEHYDROGENASE

(Pyrococcus
horikoshii) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 HIS A  67
LEU A 179
LEU A 182
LEU A 307
 None
NAD  A1401 (-3.9A)
None
None
 1.20A 1a4lD-2dfvA:
undetectable		 1a4lD-2dfvA:
23.44
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.
2eij CYTOCHROME C OXIDASE
SUBUNIT 1

(Bos taurus) 		PF00115
(COX1) 		4 HIS A 291
LEU A 381
LEU A 246
LEU A 199
 CU  A 517 ( 3.1A)
HEA  A 516 (-3.6A)
None
None
 1.09A 1a4lD-2eijA:
undetectable		 1a4lD-2eijA:
20.87
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.
2fmy CARBON MONOXIDE
OXIDATION SYSTEM
TRANSCRIPTION
REGULATOR COOA-1

(Carboxydothermus
hydrogenoformans) 		PF00027
(cNMP_binding)
PF13545
(HTH_Crp_2) 		4 HIS A  82
LEU A 121
LEU A 124
LEU A  61
 HEM  A 300 (-3.3A)
HEM  A 300 ( 4.7A)
None
None
 1.23A 1a4lD-2fmyA:
undetectable		 1a4lD-2fmyA:
21.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2i6e HYPOTHETICAL PROTEIN

(Deinococcus
radiodurans) 		PF02621
(VitK2_biosynth) 		4 HIS A  23
LEU A  36
LEU A 219
LEU A  79
 None
 1.23A 1a4lD-2i6eA:
undetectable		 1a4lD-2i6eA:
20.39
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.
2ilx 2',3'-CYCLIC-NUCLEOT
IDE
3'-PHOSPHODIESTERASE

(Rattus
norvegicus) 		PF05881
(CNPase) 		4 HIS A 150
LEU A  70
LEU A  22
LEU A 204
 None
 1.15A 1a4lD-2ilxA:
undetectable		 1a4lD-2ilxA:
19.56
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.
2jad YELLOW FLUORESCENT
PROTEIN GLUTAREDOXIN
FUSION PROTEIN

(Aequorea
victoria;
Saccharomyces
cerevisiae) 		PF00462
(Glutaredoxin)
PF01353
(GFP) 		4 HIS A 148
LEU A 207
LEU A 220
LEU A  68
 PIA  A  66 ( 4.2A)
None
None
PIA  A  66 ( 3.5A)
 0.93A 1a4lD-2jadA:
undetectable		 1a4lD-2jadA:
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.
2np0 BOTULINUM NEUROTOXIN
TYPE B

(Clostridium
botulinum) 		PF01742
(Peptidase_M27)
PF07951
(Toxin_R_bind_C)
PF07952
(Toxin_trans)
PF07953
(Toxin_R_bind_N) 		4 HIS A 236
LEU A 490
LEU A 103
LEU A 225
 None
 1.02A 1a4lD-2np0A:
undetectable		 1a4lD-2np0A:
14.86
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.
2o4c ERYTHRONATE-4-PHOSPH
ATE DEHYDROGENASE

(Pseudomonas
aeruginosa) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C)
PF11890
(DUF3410) 		4 HIS A  71
LEU A  54
LEU A  35
LEU A  25
 None
 1.19A 1a4lD-2o4cA:
undetectable		 1a4lD-2o4cA:
23.57
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.
2qy6 UPF0209 PROTEIN YFCK

(Escherichia
coli) 		PF05430
(Methyltransf_30) 		4 HIS A 136
LEU A  31
LEU A 125
LEU A 147
 None
 1.22A 1a4lD-2qy6A:
undetectable		 1a4lD-2qy6A:
20.05
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.
2uxo HTH-TYPE
TRANSCRIPTIONAL
REGULATOR TTGR

(Pseudomonas
putida) 		PF00440
(TetR_N)
PF08361
(TetR_C_2) 		4 HIS A 138
LEU A 208
LEU A 202
LEU A  93
 None
 1.14A 1a4lD-2uxoA:
undetectable		 1a4lD-2uxoA:
20.52
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.
2wdw PUTATIVE HEXOSE
OXIDASE

(Nonomuraea
gerenzanensis) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		4 HIS A 329
LEU A 270
LEU A 271
LEU A 371
 None
 1.12A 1a4lD-2wdwA:
undetectable		 1a4lD-2wdwA:
21.83
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.
2yev CYTOCHROME C OXIDASE
POLYPEPTIDE I+III

(Thermus
thermophilus) 		PF00115
(COX1)
PF00510
(COX3) 		4 HIS A 739
LEU A 217
LEU A 161
LEU A 565
 5PL  A 900 ( 4.8A)
5PL  A 900 ( 4.9A)
None
None
 1.23A 1a4lD-2yevA:
undetectable		 1a4lD-2yevA:
17.02
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.
2z23 PERIPLASMIC
OLIGOPEPTIDE-BINDING
PROTEIN

(Yersinia pestis) 		PF00496
(SBP_bac_5) 		4 HIS A  29
LEU A 134
LEU A 118
LEU A 158
 None
 1.21A 1a4lD-2z23A:
undetectable		 1a4lD-2z23A:
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.
2zj8 PUTATIVE SKI2-TYPE
HELICASE

(Pyrococcus
furiosus) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF14520
(HHH_5) 		4 HIS A 165
LEU A 408
LEU A 414
LEU A 463
 None
 1.09A 1a4lD-2zj8A:
undetectable		 1a4lD-2zj8A:
19.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3abb CYTOCHROME P450
HYDROXYLASE

(Streptomyces
avermitilis) 		PF00067
(p450) 		4 HIS A 245
LEU A 128
LEU A 132
LEU A 145
 None
 1.24A 1a4lD-3abbA:
undetectable		 1a4lD-3abbA:
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.
3ahr ERO1-LIKE PROTEIN
ALPHA

(Homo sapiens) 		PF04137
(ERO1) 		4 HIS A 261
LEU A  69
LEU A  65
LEU A 312
 None
 1.25A 1a4lD-3ahrA:
undetectable		 1a4lD-3ahrA:
21.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3anx SPERMIDINE SYNTHASE

(Thermus
thermophilus) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		4 HIS A  64
LEU A  49
LEU A 113
LEU A 136
 None
MTA  A 315 ( 4.4A)
None
None
 1.15A 1a4lD-3anxA:
undetectable		 1a4lD-3anxA:
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.
3cia COLD-ACTIVE
AMINOPEPTIDASE

(Colwellia
psychrerythraea) 		PF01433
(Peptidase_M1)
PF09127
(Leuk-A4-hydro_C) 		4 HIS A  96
LEU A 114
LEU A 125
LEU A  74
 None
 1.22A 1a4lD-3ciaA:
undetectable		 1a4lD-3ciaA:
19.46
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.
3dci ARYLESTERASE

(Agrobacterium
fabrum) 		PF13472
(Lipase_GDSL_2) 		4 HIS A 169
LEU A  74
LEU A  70
LEU A  87
 CL  A 216 (-4.1A)
None
None
None
 1.13A 1a4lD-3dciA:
undetectable		 1a4lD-3dciA:
19.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3egc PUTATIVE RIBOSE
OPERON REPRESSOR

(Burkholderia
thailandensis) 		PF00532
(Peripla_BP_1) 		4 HIS A 184
LEU A 240
LEU A 264
LEU A 289
 None
 1.04A 1a4lD-3egcA:
undetectable		 1a4lD-3egcA:
21.31
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.
3ez9 PARA

(Salmonella
enterica) 		PF13614
(AAA_31) 		4 HIS A 106
LEU A 140
LEU A 134
LEU A 272
 None
 0.93A 1a4lD-3ez9A:
undetectable		 1a4lD-3ez9A:
21.82
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.
3god CAS1

(Pseudomonas
aeruginosa) 		PF01867
(Cas_Cas1) 		4 HIS A 228
LEU A 300
LEU A 236
LEU A  80
 None
 1.23A 1a4lD-3godA:
undetectable		 1a4lD-3godA:
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.
3gtd FUMARATE HYDRATASE
CLASS II

(Rickettsia
prowazekii) 		PF00206
(Lyase_1)
PF10415
(FumaraseC_C) 		4 HIS A 271
LEU A  44
LEU A 370
LEU A 281
 None
 0.96A 1a4lD-3gtdA:
undetectable		 1a4lD-3gtdA:
23.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i09 PERIPLASMIC
BRANCHED-CHAIN AMINO
ACID-BINDING PROTEIN

(Burkholderia
mallei) 		PF13458
(Peripla_BP_6) 		4 HIS A 200
LEU A 222
LEU A 249
LEU A 262
 None
 1.24A 1a4lD-3i09A:
undetectable		 1a4lD-3i09A:
20.83
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.
3ix1 N-FORMYL-4-AMINO-5-A
MINOMETHYL-2-METHYLP
YRIMIDINE BINDING
PROTEIN

(Bacillus
halodurans) 		PF09084
(NMT1) 		4 HIS A 191
LEU A 261
LEU A 257
LEU A 284
 NFM  A 401 ( 4.4A)
None
None
None
 1.12A 1a4lD-3ix1A:
undetectable		 1a4lD-3ix1A:
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.
3kbb PHOSPHORYLATED
CARBOHYDRATES
PHOSPHATASE TM_1254

(Thermotoga
maritima) 		PF13419
(HAD_2) 		4 HIS A 186
LEU A  83
LEU A 121
LEU A  93
 HIS  A 186 ( 1.0A)
LEU  A  83 ( 0.6A)
LEU  A 121 ( 0.6A)
LEU  A  93 ( 0.6A)
 1.18A 1a4lD-3kbbA:
undetectable		 1a4lD-3kbbA:
21.31
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.
3kxy EXOENZYME S
SYNTHESIS PROTEIN C
EXSE

(Pseudomonas
aeruginosa) 		PF05932
(CesT)
no annotation 		4 HIS T  22
LEU A 119
LEU A 115
LEU A  23
 None
 1.14A 1a4lD-3kxyT:
undetectable		 1a4lD-3kxyT:
12.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lg0 ORNITHINE
AMINOTRANSFERASE

(Plasmodium
falciparum) 		PF00202
(Aminotran_3) 		4 HIS A 250
LEU A 389
LEU A 310
LEU A 100
 None
 1.14A 1a4lD-3lg0A:
undetectable		 1a4lD-3lg0A:
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.
3ndc PRECORRIN-4
C(11)-METHYLTRANSFER
ASE

(Rhodobacter
capsulatus) 		PF00590
(TP_methylase) 		4 HIS A 164
LEU A 124
LEU A 228
LEU A 205
 SAH  A 300 (-4.8A)
None
None
None
 1.20A 1a4lD-3ndcA:
undetectable		 1a4lD-3ndcA:
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.
3nx3 ACETYLORNITHINE
AMINOTRANSFERASE

(Campylobacter
jejuni) 		PF00202
(Aminotran_3) 		4 HIS A 135
LEU A 205
LEU A 216
LEU A  93
 None
 1.18A 1a4lD-3nx3A:
undetectable		 1a4lD-3nx3A:
22.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3oql TENA HOMOLOG

(Pseudomonas
syringae group
genomosp. 3) 		PF14518
(Haem_oxygenas_2) 		4 HIS A  84
LEU A 221
LEU A 225
LEU A 206
 None
 0.91A 1a4lD-3oqlA:
undetectable		 1a4lD-3oqlA:
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.
3ox4 ALCOHOL
DEHYDROGENASE 2

(Zymomonas
mobilis) 		PF00465
(Fe-ADH) 		4 HIS A 101
LEU A 179
LEU A  19
LEU A  26
 None
 1.25A 1a4lD-3ox4A:
undetectable		 1a4lD-3ox4A:
23.27
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.
3rg1 CD180 MOLECULE

(Bos taurus) 		PF00560
(LRR_1)
PF13855
(LRR_8) 		4 HIS A 542
LEU A 527
LEU A 503
LEU A 491
 None
 1.04A 1a4lD-3rg1A:
undetectable		 1a4lD-3rg1A:
19.46
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.
3zuq BOTULINUM NEUROTOXIN
TYPE B

(Clostridium
botulinum) 		PF01742
(Peptidase_M27)
PF07952
(Toxin_trans) 		4 HIS A 237
LEU A 526
LEU A 104
LEU A 226
 None
 1.03A 1a4lD-3zuqA:
undetectable		 1a4lD-3zuqA:
20.05
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.
3zxs CRYPTOCHROME B

(Rhodobacter
sphaeroides) 		PF04244
(DPRP) 		4 HIS A 214
LEU A  74
LEU A  52
LEU A 270
 None
 1.24A 1a4lD-3zxsA:
undetectable		 1a4lD-3zxsA:
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.
3zyy IRON-SULFUR CLUSTER
BINDING PROTEIN

(Carboxydothermus
hydrogenoformans) 		PF00111
(Fer2)
PF14574
(DUF4445) 		4 HIS X 621
LEU X 532
LEU X 525
LEU X 603
 None
 1.15A 1a4lD-3zyyX:
undetectable		 1a4lD-3zyyX:
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.
4af0 INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE

(Cryptococcus
neoformans) 		PF00478
(IMPDH)
PF00571
(CBS) 		4 HIS B 110
LEU B 277
LEU B 282
LEU B 106
 None
 1.20A 1a4lD-4af0B:
5.8		 1a4lD-4af0B:
21.82
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.
4b9y ALPHA-GLUCOSIDASE,
PUTATIVE, ADG31B

(Cellvibrio
japonicus) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2)
PF16338
(DUF4968)
PF17137
(DUF5110) 		4 HIS A 769
LEU A 800
LEU A 802
LEU A 811
 None
 1.25A 1a4lD-4b9yA:
3.8		 1a4lD-4b9yA:
18.61
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.
4gx0 TRKA DOMAIN PROTEIN

(Geobacter
sulfurreducens) 		PF02080
(TrkA_C)
PF02254
(TrkA_N)
PF07885
(Ion_trans_2) 		4 HIS A 479
LEU A 149
LEU A 145
LEU A 247
 None
 1.08A 1a4lD-4gx0A:
undetectable		 1a4lD-4gx0A:
20.07
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.
4h3t CRISPR-ASSOCIATED
PROTEIN, CSE1 FAMILY

(Acidimicrobium
ferrooxidans) 		PF09481
(CRISPR_Cse1) 		4 HIS A 165
LEU A 101
LEU A   9
LEU A  60
 None
 1.04A 1a4lD-4h3tA:
undetectable		 1a4lD-4h3tA:
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.
4k8y KALLIKREIN-4

(Homo sapiens) 		PF00089
(Trypsin) 		4 HIS A  48
LEU A 231
LEU A 212
LEU A  33
 None
 1.21A 1a4lD-4k8yA:
undetectable		 1a4lD-4k8yA:
21.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kwy PUTATIVE
UNCHARACTERIZED
PROTEIN

(Caulobacter
vibrioides) 		PF04390
(LptE) 		4 HIS A 114
LEU A  36
LEU A  60
LEU A  52
 None
 1.12A 1a4lD-4kwyA:
undetectable		 1a4lD-4kwyA:
15.19
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.
4pq0 FACT COMPLEX SUBUNIT
POB3

(Saccharomyces
cerevisiae) 		PF08512
(Rtt106) 		4 HIS A 279
LEU A 357
LEU A 318
LEU A 306
 None
 1.22A 1a4lD-4pq0A:
undetectable		 1a4lD-4pq0A:
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.
4qww ACETYLCHOLINESTERASE

(Bungarus
fasciatus) 		PF00135
(COesterase) 		4 HIS A 398
LEU A 532
LEU A 531
LEU A 373
 EDO  A 612 (-4.5A)
None
None
None
 1.25A 1a4lD-4qwwA:
1.8		 1a4lD-4qwwA:
19.85
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.
4s12 N-ACETYLMURAMIC ACID
6-PHOSPHATE ETHERASE

(Yersinia
enterocolitica) 		PF01380
(SIS) 		4 HIS A  92
LEU A 127
LEU A  98
LEU A 106
 None
 1.24A 1a4lD-4s12A:
undetectable		 1a4lD-4s12A:
22.55
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.
4twb RIBOSE-PHOSPHATE
PYROPHOSPHOKINASE

(Sulfolobus
solfataricus) 		PF00156
(Pribosyltran)
PF13793
(Pribosyltran_N) 		4 HIS A 246
LEU A 132
LEU A 110
LEU A  67
 None
 1.26A 1a4lD-4twbA:
undetectable		 1a4lD-4twbA:
23.47
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.
4uph SULFATASE (SULFURIC
ESTER HYDROLASE)
PROTEIN

(Agrobacterium
tumefaciens) 		PF00884
(Sulfatase)
PF16347
(DUF4976) 		4 HIS A  57
LEU A  20
LEU A  96
LEU A 393
 None
 1.18A 1a4lD-4uphA:
undetectable		 1a4lD-4uphA:
19.93
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.
4v15 D-THREONINE ALDOLASE

(Achromobacter
xylosoxidans) 		PF01168
(Ala_racemase_N)
PF14031
(D-ser_dehydrat) 		4 HIS A  98
LEU A 112
LEU A 134
LEU A 169
 None
 1.19A 1a4lD-4v15A:
5.7		 1a4lD-4v15A:
22.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4w1w ADENOSYLMETHIONINE-8
-AMINO-7-OXONONANOAT
E AMINOTRANSFERASE

(Mycobacterium
tuberculosis) 		PF00202
(Aminotran_3) 		4 HIS A 158
LEU A 240
LEU A 251
LEU A 115
 None
 1.19A 1a4lD-4w1wA:
undetectable		 1a4lD-4w1wA:
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.
4ysh GLYCINE OXIDASE

(Geobacillus
kaustophilus) 		PF01266
(DAO) 		4 HIS A 334
LEU A 362
LEU A 352
LEU A  23
 None
 1.09A 1a4lD-4yshA:
undetectable		 1a4lD-4yshA:
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.
4z8z UNCHARACTERIZED
PROTEIN

(Ruminiclostridium
thermocellum) 		no annotation 4 HIS A 302
LEU A 218
LEU A 225
LEU A  18
 None
 1.21A 1a4lD-4z8zA:
undetectable		 1a4lD-4z8zA:
20.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4z9p NUCLEOPROTEIN

(Zaire
ebolavirus) 		PF05505
(Ebola_NP) 		4 HIS A 196
LEU A  77
LEU A 151
LEU A 158
 None
 1.23A 1a4lD-4z9pA:
undetectable		 1a4lD-4z9pA:
21.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zti POLYMERASE COFACTOR
VP35,NUCLEOPROTEIN

(Zaire
ebolavirus) 		PF02097
(Filo_VP35)
PF05505
(Ebola_NP) 		4 HIS A 196
LEU A  77
LEU A 151
LEU A 158
 None
 1.11A 1a4lD-4ztiA:
undetectable		 1a4lD-4ztiA:
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.
5a31 ANAPHASE-PROMOTING
COMPLEX SUBUNIT 1
ANAPHASE-PROMOTING
COMPLEX SUBUNIT 5

(Homo sapiens) 		PF12859
(ANAPC1)
PF12862
(ANAPC5) 		4 HIS A 162
LEU O 307
LEU O 275
LEU A  37
 None
 1.24A 1a4lD-5a31A:
undetectable		 1a4lD-5a31A:
13.29
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.
5bp3 MYCOCEROSIC ACID
SYNTHASE-LIKE
POLYKETIDE SYNTHASE

(Mycolicibacterium
smegmatis) 		PF14765
(PS-DH) 		4 HIS A 901
LEU A 942
LEU A 931
LEU A1085
 None
 0.99A 1a4lD-5bp3A:
undetectable		 1a4lD-5bp3A:
23.82
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.
5csl ACETYL-COA
CARBOXYLASE

(Saccharomyces
cerevisiae) 		PF00289
(Biotin_carb_N)
PF00364
(Biotin_lipoyl)
PF01039
(Carboxyl_trans)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2)
PF08326
(ACC_central) 		4 HIS A 508
LEU A 527
LEU A 530
LEU A 475
 None
 1.17A 1a4lD-5cslA:
2.2		 1a4lD-5cslA:
9.81
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.
5dm3 L-GLUTAMINE
SYNTHETASE

(Chromohalobacter
salexigens) 		PF00120
(Gln-synt_C) 		4 HIS A 228
LEU A 193
LEU A 189
LEU A 148
 None
 1.23A 1a4lD-5dm3A:
undetectable		 1a4lD-5dm3A:
20.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5f56 SINGLE-STRANDED-DNA-
SPECIFIC EXONUCLEASE

(Deinococcus
radiodurans) 		PF01368
(DHH)
PF02272
(DHHA1) 		4 HIS A 667
LEU A 442
LEU A 525
LEU A 530
 None
 0.99A 1a4lD-5f56A:
undetectable		 1a4lD-5f56A:
19.70
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.
5fyr PHOSPHOINOSITOL-SPEC
IFIC PHOSPHOLIPASE C

(Pseudomonas sp.) 		PF16670
(PI-PLC-C1) 		4 HIS A 111
LEU A 148
LEU A 186
LEU A  49
 None
 1.18A 1a4lD-5fyrA:
undetectable		 1a4lD-5fyrA:
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.
5h7d PUTRESCINE
AMINOTRANSFERASE,IMM
UNOGLOBULIN
G-BINDING PROTEIN A

(Escherichia
coli;
Staphylococcus
aureus) 		PF00202
(Aminotran_3)
PF02216
(B) 		4 HIS A 288
LEU A 431
LEU A 350
LEU A 136
 None
 1.21A 1a4lD-5h7dA:
undetectable		 1a4lD-5h7dA:
22.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hif RECONSTRUCTED
LACTONASE ANCESTOR,
ANC1-MPH

(synthetic
construct) 		PF00753
(Lactamase_B) 		4 HIS A 200
LEU A  39
LEU A  34
LEU A  90
 ZN  A 402 (-3.4A)
None
PEG  A 403 ( 4.8A)
None
 1.15A 1a4lD-5hifA:
undetectable		 1a4lD-5hifA:
23.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hpd CREB-BINDING
PROTEIN,CELLULAR
TUMOR ANTIGEN P53
FUSION PROTEIN

(Homo sapiens;
Mus musculus) 		PF02135
(zf-TAZ)
PF08563
(P53_TAD) 		4 HIS A1805
LEU A3025
LEU A3022
LEU A3014
 ZN  A 202 ( 3.3A)
None
None
None
 1.14A 1a4lD-5hpdA:
undetectable		 1a4lD-5hpdA:
17.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kdx METALLOPEPTIDASE

(Pseudomonas
aeruginosa) 		PF13402
(Peptidase_M60) 		4 HIS A 154
LEU A 247
LEU A 165
LEU A  84
 None
 0.90A 1a4lD-5kdxA:
undetectable		 1a4lD-5kdxA:
17.18
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.
5l3x NEGATIVE ELONGATION
FACTOR C/D

(Homo sapiens) 		PF04858
(TH1) 		4 HIS B 481
LEU B 529
LEU B 497
LEU B 470
 None
 1.25A 1a4lD-5l3xB:
undetectable		 1a4lD-5l3xB:
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.
5lcw ANAPHASE-PROMOTING
COMPLEX SUBUNIT 1

(Homo sapiens) 		PF12859
(ANAPC1) 		4 HIS A1602
LEU A1210
LEU A1259
LEU A1307
 None
 1.19A 1a4lD-5lcwA:
undetectable		 1a4lD-5lcwA:
11.37
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.
5m3x ANGIOTENSINOGEN

(Homo sapiens) 		no annotation 4 HIS A  88
LEU A  80
LEU A 110
LEU A 372
 None
 1.16A 1a4lD-5m3xA:
undetectable		 1a4lD-5m3xA:
12.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mgv PHENYLALANINE--TRNA
LIGASE,
MITOCHONDRIAL

(Homo sapiens) 		PF01409
(tRNA-synt_2d)
PF03147
(FDX-ACB) 		4 HIS A 195
LEU A 163
LEU A 128
LEU A  93
 None
 1.01A 1a4lD-5mgvA:
undetectable		 1a4lD-5mgvA:
22.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nd1 CAPSID PROTEIN

(Rosellinia
necatrix
quadrivirus 1) 		no annotation 4 HIS A 115
LEU A 234
LEU A 342
LEU A 349
 None
 0.99A 1a4lD-5nd1A:
undetectable		 1a4lD-5nd1A:
13.39
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.
5nr1 FTSZ-BINDING PROTEIN
FZLA

(Caulobacter
vibrioides) 		PF00043
(GST_C)
PF13417
(GST_N_3) 		4 HIS A 222
LEU A 147
LEU A 143
LEU A 117
 None
 1.11A 1a4lD-5nr1A:
undetectable		 1a4lD-5nr1A:
19.94
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.
5ol2 ELECTRON TRANSFER
FLAVOPROTEIN LARGE
SUBUNIT

(Clostridioides
difficile) 		no annotation 4 HIS A 280
LEU A 251
LEU A 225
LEU A 317
 FAD  A 401 (-3.7A)
None
None
None
 1.16A 1a4lD-5ol2A:
undetectable		 1a4lD-5ol2A:
22.62
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.
5t3w FUSION PROTEIN OF
NUCLEOPROTEIN AND
MINOR NUCLEOPROTEIN
VP30

(Marburg
marburgvirus) 		PF11507
(Transcript_VP30) 		4 HIS A 200
LEU A 233
LEU A 178
LEU A 161
 None
 1.21A 1a4lD-5t3wA:
undetectable		 1a4lD-5t3wA:
19.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vcs ALPHA-1,6-MANNOSYL-G
LYCOPROTEIN
2-BETA-N-ACETYLGLUCO
SAMINYLTRANSFERASE

(Homo sapiens) 		no annotation 4 HIS A 233
LEU A 131
LEU A 134
LEU A 256
 None
 1.22A 1a4lD-5vcsA:
undetectable		 1a4lD-5vcsA:
14.04
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.
5y29 INSECT GROUP II
CHITINASE

(Ostrinia
furnacalis) 		no annotation 4 HIS A1715
LEU A1702
LEU A1756
LEU A1771
 None
 0.98A 1a4lD-5y29A:
7.5		 1a4lD-5y29A:
15.30
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.
5yu1 LYSINE
CYCLODEAMINASE

(Streptomyces
pristinaespiralis) 		no annotation 4 HIS A 229
LEU A 243
LEU A 248
LEU A 275
 None
 1.02A 1a4lD-5yu1A:
undetectable		 1a4lD-5yu1A:
18.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6bhc PSEUDOPODIUM-ENRICHE
D ATYPICAL KINASE 1

(Homo sapiens) 		no annotation 4 HIS A1373
LEU A1381
LEU A1507
LEU A1517
 None
 1.22A 1a4lD-6bhcA:
undetectable		 1a4lD-6bhcA:
12.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6bk1 UDP-GLYCOSYLTRANSFER
ASE 79

(Oryza sativa) 		no annotation 4 HIS A 361
LEU A 286
LEU A 350
LEU A 245
 UDP  A 501 (-3.9A)
None
None
None
 1.19A 1a4lD-6bk1A:
undetectable		 1a4lD-6bk1A:
14.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6c9b PLP-DEPENDENT
L-ARGININE
HYDROXYLASE MPPP

(Streptomyces
wadayamensis) 		no annotation 4 HIS A 138
LEU A 187
LEU A 185
LEU A 147
 None
 1.14A 1a4lD-6c9bA:
undetectable		 1a4lD-6c9bA:
10.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6eys -

(-) 		no annotation 4 HIS B 142
LEU B  64
LEU B  83
LEU B  94
 None
 1.16A 1a4lD-6eysB:
undetectable		 1a4lD-6eysB:
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.
6fht BACTERIOPHYTOCHROME,
ADENYLATE CYCLASE

(Deinococcus
radiodurans;
Synechocystis
sp. PCC 6803) 		no annotation 4 HIS A 334
LEU A 379
LEU A 370
LEU A 498
 None
 1.23A 1a4lD-6fhtA:
undetectable		 1a4lD-6fhtA:
13.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6fnw VOLUME-REGULATED
ANION CHANNEL
SUBUNIT LRRC8A

(Mus musculus) 		no annotation 4 HIS A 608
LEU A 626
LEU A 646
LEU A 641
 None
 1.13A 1a4lD-6fnwA:
undetectable		 1a4lD-6fnwA:
12.94