SIMILAR PATTERNS OF AMINO ACIDS FOR 4AQL_A_TXCA1452

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.
1h76 SEROTRANSFERRIN

(Sus scrofa) 		PF00405
(Transferrin) 		5 LEU A 230
LEU A 111
PHE A 208
ALA A  96
SER A 104
 None
 1.34A 4aqlA-1h76A:
undetectable		 4aqlA-1h76A:
20.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1iq7 OVOTRANSFERRIN

(Gallus gallus) 		PF00405
(Transferrin) 		5 LEU A 569
LEU A 448
PHE A 539
ALA A 433
SER A 441
 None
 1.22A 4aqlA-1iq7A:
undetectable		 4aqlA-1iq7A:
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.
1itu RENAL DIPEPTIDASE

(Homo sapiens) 		PF01244
(Peptidase_M19) 		5 ARG A 230
HIS A 152
ALA A 159
SER A  66
ASP A  22
 CIL  A 451 (-4.0A)
CIL  A 451 (-4.0A)
None
ZN  A 401 ( 3.7A)
ZN  A 401 ( 2.2A)
 1.36A 4aqlA-1ituA:
5.9		 4aqlA-1ituA:
21.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1krm ADENOSINE DEAMINASE

(Bos taurus) 		PF00962
(A_deaminase) 		7 LEU A  55
LEU A  59
HIS A 211
GLU A 214
GLU A 183
HIS A 235
ASP A 292
 None
PRH  A 401 (-4.5A)
ZN  A 501 ( 3.4A)
PRH  A 401 (-2.5A)
None
PRH  A 401 (-4.0A)
PRH  A 401 ( 2.5A)
 0.95A 4aqlA-1krmA:
20.7		 4aqlA-1krmA:
20.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1krm ADENOSINE DEAMINASE

(Bos taurus) 		PF00962
(A_deaminase) 		7 LEU A  55
LEU A  59
HIS A 211
GLU A 214
HIS A 235
SER A 262
ASP A 292
 None
PRH  A 401 (-4.5A)
ZN  A 501 ( 3.4A)
PRH  A 401 (-2.5A)
PRH  A 401 (-4.0A)
None
PRH  A 401 ( 2.5A)
 0.79A 4aqlA-1krmA:
20.7		 4aqlA-1krmA:
20.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1mo2 ERYTHRONOLIDE
SYNTHASE, MODULES 5
AND 6

(Saccharopolyspora
erythraea) 		PF00975
(Thioesterase) 		5 LEU A 212
ALA A 121
HIS A  47
SER A  42
ASP A  43
 None
 1.30A 4aqlA-1mo2A:
2.9		 4aqlA-1mo2A:
21.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1mro METHYL-COENZYME M
REDUCTASE

(Methanothermobacter
marburgensis) 		PF02240
(MCR_gamma) 		5 LEU C  28
LEU C 205
GLU C  26
GLU C 141
ALA C  96
 None
 1.35A 4aqlA-1mroC:
undetectable		 4aqlA-1mroC:
18.33
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.
1nyl GLUTAMINYL-TRNA
SYNTHETASE

(Escherichia
coli) 		PF00749
(tRNA-synt_1c)
PF03950
(tRNA-synt_1c_C) 		5 LEU A 471
PHE A 524
GLU A 521
HIS A 457
ASP A 388
 None
 1.40A 4aqlA-1nylA:
undetectable		 4aqlA-1nylA:
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.
1p1m HYPOTHETICAL PROTEIN
TM0936

(Thermotoga
maritima) 		PF01979
(Amidohydro_1) 		6 HIS A 200
GLU A 203
GLU A 207
HIS A 228
SER A 253
ASP A 279
 NI  A9001 (-3.4A)
None
None
None
None
NI  A9001 (-2.6A)
 0.73A 4aqlA-1p1mA:
42.5		 4aqlA-1p1mA:
24.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1p1m HYPOTHETICAL PROTEIN
TM0936

(Thermotoga
maritima) 		PF01979
(Amidohydro_1) 		6 LEU A  76
HIS A 200
GLU A 203
HIS A 228
SER A 253
ASP A 279
 None
NI  A9001 (-3.4A)
None
None
None
NI  A9001 (-2.6A)
 0.62A 4aqlA-1p1mA:
42.5		 4aqlA-1p1mA:
24.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ryo SEROTRANSFERRIN

(Homo sapiens) 		PF00405
(Transferrin) 		5 LEU A 226
LEU A 112
PHE A 204
ALA A  97
SER A 105
 None
 1.33A 4aqlA-1ryoA:
undetectable		 4aqlA-1ryoA:
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.
1s3n HYPOTHETICAL PROTEIN
MJ0936

(Methanocaldococcus
jannaschii) 		PF12850
(Metallophos_2) 		5 HIS A 120
ALA A 107
HIS A  97
SER A   7
ASP A   8
 MN  A 503 (-3.6A)
None
MN  A 503 (-3.6A)
None
MN  A 504 (-3.3A)
 1.37A 4aqlA-1s3nA:
3.5		 4aqlA-1s3nA:
18.39
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.
1tqy ACTINORHODIN
POLYKETIDE PUTATIVE
BETA-KETOACYL
SYNTHASE 1

(Streptomyces
coelicolor) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 LEU A  90
LEU A  95
GLU A 247
ALA A  81
SER A 251
 None
 1.33A 4aqlA-1tqyA:
undetectable		 4aqlA-1tqyA:
22.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tqy ACTINORHODIN
POLYKETIDE PUTATIVE
BETA-KETOACYL
SYNTHASE 1

(Streptomyces
coelicolor) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 LEU A  90
LEU A  95
PHE A 192
GLU A 247
SER A 251
 None
 1.21A 4aqlA-1tqyA:
undetectable		 4aqlA-1tqyA:
22.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1uio ADENOSINE DEAMINASE

(Mus musculus) 		PF00962
(A_deaminase) 		7 LEU A  58
LEU A  62
HIS A 214
GLU A 217
GLU A 186
SER A 265
ASP A 295
 None
HPR  A 353 (-4.5A)
ZN  A 400 ( 3.3A)
HPR  A 353 (-2.7A)
None
HPR  A 353 ( 4.8A)
HPR  A 353 ( 2.5A)
 0.88A 4aqlA-1uioA:
21.8		 4aqlA-1uioA:
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.
1v8d HYPOTHETICAL PROTEIN
(TT1679)

(Thermus
thermophilus) 		PF04260
(DUF436) 		5 LEU A 101
LEU A  97
ARG A 153
PHE A 154
GLU A 122
 None
None
ZN  A 401 ( 4.7A)
None
None
 1.29A 4aqlA-1v8dA:
2.1		 4aqlA-1v8dA:
18.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vi1 FATTY
ACID/PHOSPHOLIPID
SYNTHESIS PROTEIN
PLSX

(Bacillus
subtilis) 		PF02504
(FA_synthesis) 		5 LEU A 232
LEU A 127
HIS A 295
GLU A 236
ALA A 239
 None
 1.24A 4aqlA-1vi1A:
undetectable		 4aqlA-1vi1A:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vi7 HYPOTHETICAL PROTEIN
YIGZ

(Escherichia
coli) 		PF01205
(UPF0029)
PF09186
(DUF1949) 		5 LEU A 116
LEU A 111
PHE A  25
GLU A  77
HIS A  54
 None
 0.98A 4aqlA-1vi7A:
undetectable		 4aqlA-1vi7A:
18.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2a3l AMP DEAMINASE

(Arabidopsis
thaliana) 		PF00962
(A_deaminase) 		6 HIS A 659
GLU A 662
GLU A 603
HIS A 681
SER A 708
ASP A 736
 ZN  A 840 ( 3.1A)
CF5  A 841 (-2.6A)
None
CF5  A 841 (-4.2A)
CF5  A 841 (-3.6A)
CF5  A 841 ( 2.5A)
 0.94A 4aqlA-2a3lA:
11.4		 4aqlA-2a3lA:
22.70
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.
2ahd PHOSPHODIESTERASE
MJ0936

(Methanocaldococcus
jannaschii) 		PF12850
(Metallophos_2) 		5 HIS A 120
ALA A 107
HIS A  97
SER A   7
ASP A   8
 None
 1.36A 4aqlA-2ahdA:
3.3		 4aqlA-2ahdA:
15.94
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.
2amx ADENOSINE DEAMINASE

(Plasmodium
yoelii) 		PF00962
(A_deaminase) 		6 HIS A 239
GLU A 242
GLU A 216
HIS A 266
SER A 293
ASP A 323
 CO  A1000 (-3.4A)
UNX  A2004 ( 4.8A)
None
None
None
CO  A1000 (-2.7A)
 0.58A 4aqlA-2amxA:
3.8		 4aqlA-2amxA:
25.05
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.
2b3w HYPOTHETICAL PROTEIN
YBIA

(Escherichia
coli) 		PF08719
(DUF1768) 		5 LEU A 145
LEU A 149
PHE A  19
GLU A 125
SER A  47
 None
 0.99A 4aqlA-2b3wA:
undetectable		 4aqlA-2b3wA:
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.
2cve HYPOTHETICAL PROTEIN
TTHA1053

(Thermus
thermophilus) 		PF01205
(UPF0029)
PF09186
(DUF1949) 		5 LEU A 104
LEU A  99
PHE A  20
GLU A  65
HIS A  47
 TLA  A 192 (-4.5A)
TLA  A 192 (-4.3A)
None
TLA  A 192 (-3.1A)
None
 0.94A 4aqlA-2cveA:
undetectable		 4aqlA-2cveA:
18.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2i9u CYTOSINE/GUANINE
DEAMINASE RELATED
PROTEIN

(Clostridium
acetobutylicum) 		PF01979
(Amidohydro_1) 		10 GLN A  78
LEU A  90
LEU A  94
ARG A 202
PHE A 203
HIS A 229
GLU A 232
HIS A 269
SER A 294
ASP A 320
 GUN  A 503 (-3.4A)
GUN  A 503 (-4.9A)
GUN  A 503 (-4.4A)
GUN  A 503 (-3.7A)
GUN  A 503 (-3.5A)
GUN  A 503 ( 3.5A)
GUN  A 503 (-3.1A)
GUN  A 503 ( 4.4A)
GUN  A 503 ( 4.3A)
FE  A 501 ( 2.7A)
 0.56A 4aqlA-2i9uA:
56.5		 4aqlA-2i9uA:
36.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2i9u CYTOSINE/GUANINE
DEAMINASE RELATED
PROTEIN

(Clostridium
acetobutylicum) 		PF01979
(Amidohydro_1) 		10 GLN A  78
LEU A  94
ARG A 202
PHE A 203
HIS A 229
GLU A 232
GLU A 236
HIS A 269
SER A 294
ASP A 320
 GUN  A 503 (-3.4A)
GUN  A 503 (-4.4A)
GUN  A 503 (-3.7A)
GUN  A 503 (-3.5A)
GUN  A 503 ( 3.5A)
GUN  A 503 (-3.1A)
None
GUN  A 503 ( 4.4A)
GUN  A 503 ( 4.3A)
FE  A 501 ( 2.7A)
 0.33A 4aqlA-2i9uA:
56.5		 4aqlA-2i9uA:
36.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2i9u CYTOSINE/GUANINE
DEAMINASE RELATED
PROTEIN

(Clostridium
acetobutylicum) 		PF01979
(Amidohydro_1) 		5 GLN A  78
LEU A 298
HIS A 229
GLU A 232
HIS A 269
 GUN  A 503 (-3.4A)
None
GUN  A 503 ( 3.5A)
GUN  A 503 (-3.1A)
GUN  A 503 ( 4.4A)
 1.23A 4aqlA-2i9uA:
56.5		 4aqlA-2i9uA:
36.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2i9u CYTOSINE/GUANINE
DEAMINASE RELATED
PROTEIN

(Clostridium
acetobutylicum) 		PF01979
(Amidohydro_1) 		5 GLU A 232
GLU A 236
ALA A 238
HIS A 269
SER A 294
 GUN  A 503 (-3.1A)
None
None
GUN  A 503 ( 4.4A)
GUN  A 503 ( 4.3A)
 1.01A 4aqlA-2i9uA:
56.5		 4aqlA-2i9uA:
36.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2i9u CYTOSINE/GUANINE
DEAMINASE RELATED
PROTEIN

(Clostridium
acetobutylicum) 		PF01979
(Amidohydro_1) 		5 LEU A  90
GLU A 232
ALA A 238
HIS A 269
SER A 294
 GUN  A 503 (-4.9A)
GUN  A 503 (-3.1A)
None
GUN  A 503 ( 4.4A)
GUN  A 503 ( 4.3A)
 1.02A 4aqlA-2i9uA:
56.5		 4aqlA-2i9uA:
36.29
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.
2imr HYPOTHETICAL PROTEIN
DR_0824

(Deinococcus
radiodurans) 		PF01979
(Amidohydro_1) 		5 HIS A 238
GLU A 241
HIS A 301
SER A 326
ASP A 352
 ZN  A 500 (-3.2A)
None
None
None
ZN  A 500 (-3.9A)
 0.42A 4aqlA-2imrA:
26.7		 4aqlA-2imrA:
23.43
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.
2imr HYPOTHETICAL PROTEIN
DR_0824

(Deinococcus
radiodurans) 		PF01979
(Amidohydro_1) 		5 LEU A 110
HIS A 238
HIS A 301
SER A 326
ASP A 352
 None
ZN  A 500 (-3.2A)
None
None
ZN  A 500 (-3.9A)
 0.76A 4aqlA-2imrA:
26.7		 4aqlA-2imrA:
23.43
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.
2jan TYROSYL-TRNA
SYNTHETASE

(Mycobacterium
tuberculosis) 		PF00579
(tRNA-synt_1b) 		5 GLN A  29
LEU A  24
LEU A   6
PHE A  60
HIS A  65
 None
 1.18A 4aqlA-2janA:
undetectable		 4aqlA-2janA:
22.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2nx9 OXALOACETATE
DECARBOXYLASE 2,
SUBUNIT ALPHA

(Vibrio cholerae) 		PF00682
(HMGL-like)
PF02436
(PYC_OADA) 		5 LEU A  85
ARG A 118
HIS A 207
HIS A 209
SER A  21
 None
None
ZN  A 601 (-3.4A)
ZN  A 601 (-3.4A)
None
 1.33A 4aqlA-2nx9A:
3.8		 4aqlA-2nx9A:
21.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2nx9 OXALOACETATE
DECARBOXYLASE 2,
SUBUNIT ALPHA

(Vibrio cholerae) 		PF00682
(HMGL-like)
PF02436
(PYC_OADA) 		5 LEU A  85
HIS A 207
ALA A 122
HIS A 209
SER A  21
 None
ZN  A 601 (-3.4A)
None
ZN  A 601 (-3.4A)
None
 1.28A 4aqlA-2nx9A:
3.8		 4aqlA-2nx9A:
21.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ood BLR3880 PROTEIN

(Bradyrhizobium
diazoefficiens) 		PF01979
(Amidohydro_1) 		9 GLN A  84
LEU A  95
LEU A  99
ARG A 206
PHE A 207
HIS A 234
GLU A 237
HIS A 273
ASP A 326
 None
GUN  A 600 (-3.1A)
GUN  A 600 (-4.2A)
None
GUN  A 600 (-3.0A)
GUN  A 600 ( 2.8A)
GUN  A 600 (-2.8A)
GUN  A 600 (-3.9A)
GUN  A 600 ( 2.5A)
 0.76A 4aqlA-2oodA:
49.6		 4aqlA-2oodA:
30.20
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ood BLR3880 PROTEIN

(Bradyrhizobium
diazoefficiens) 		PF01979
(Amidohydro_1) 		10 GLN A  84
LEU A  99
ARG A 206
PHE A 207
HIS A 234
GLU A 237
GLU A 241
HIS A 273
SER A 298
ASP A 326
 None
GUN  A 600 (-4.2A)
None
GUN  A 600 (-3.0A)
GUN  A 600 ( 2.8A)
GUN  A 600 (-2.8A)
None
GUN  A 600 (-3.9A)
GUN  A 600 ( 4.6A)
GUN  A 600 ( 2.5A)
 0.48A 4aqlA-2oodA:
49.6		 4aqlA-2oodA:
30.20
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.
2paj PUTATIVE
CYTOSINE/GUANINE
DEAMINASE

(unidentified) 		PF01979
(Amidohydro_1) 		5 GLN A  81
HIS A 248
HIS A 285
SER A 310
ASP A 336
 None
ZN  A 493 (-3.2A)
ZN  A 493 (-3.5A)
None
ZN  A 493 (-2.9A)
 0.94A 4aqlA-2pajA:
38.3		 4aqlA-2pajA:
25.99
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.
3csv AMINOGLYCOSIDE
PHOSPHOTRANSFERASE

(Ruegeria sp.
TM1040) 		PF01636
(APH) 		5 LEU A 120
LEU A 119
HIS A 186
ALA A 126
SER A 225
 None
None
None
EDO  A 346 ( 4.2A)
None
 0.99A 4aqlA-3csvA:
undetectable		 4aqlA-3csvA:
19.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3e0l GUANINE DEAMINASE

(Homo sapiens) 		PF01979
(Amidohydro_1) 		7 GLN A  87
HIS A 238
GLU A 241
ALA A 248
HIS A 277
SER A 302
ASP A 328
 None
ZN  A1452 (-3.2A)
None
None
None
None
ZN  A1452 (-2.8A)
 0.36A 4aqlA-3e0lA:
66.7		 4aqlA-3e0lA:
94.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3e0l GUANINE DEAMINASE

(Homo sapiens) 		PF01979
(Amidohydro_1) 		6 GLN A  87
HIS A 238
GLU A 241
GLU A 245
SER A 302
ASP A 328
 None
ZN  A1452 (-3.2A)
None
None
None
ZN  A1452 (-2.8A)
 1.06A 4aqlA-3e0lA:
66.7		 4aqlA-3e0lA:
94.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3e0l GUANINE DEAMINASE

(Homo sapiens) 		PF01979
(Amidohydro_1) 		7 GLN A  87
LEU A 103
GLU A 241
ALA A 248
HIS A 277
SER A 302
ASP A 328
 None
None
None
None
None
None
ZN  A1452 (-2.8A)
 0.69A 4aqlA-3e0lA:
66.7		 4aqlA-3e0lA:
94.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3e0l GUANINE DEAMINASE

(Homo sapiens) 		PF01979
(Amidohydro_1) 		6 GLN A  87
LEU A 103
GLU A 241
GLU A 245
SER A 302
ASP A 328
 None
None
None
None
None
ZN  A1452 (-2.8A)
 1.02A 4aqlA-3e0lA:
66.7		 4aqlA-3e0lA:
94.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3e0l GUANINE DEAMINASE

(Homo sapiens) 		PF01979
(Amidohydro_1) 		6 LEU A  99
GLU A 241
ALA A 248
HIS A 277
SER A 302
ASP A 328
 None
None
None
None
None
ZN  A1452 (-2.8A)
 1.35A 4aqlA-3e0lA:
66.7		 4aqlA-3e0lA:
94.33
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.
3eat PYOVERDINE
BIOSYNTHESIS PROTEIN
PVCB

(Pseudomonas
aeruginosa) 		PF02668
(TauD) 		5 LEU X  89
LEU X  91
ALA X  67
HIS X 276
ASP X 112
 None
 1.04A 4aqlA-3eatX:
undetectable		 4aqlA-3eatX:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ewd ADENOSINE DEAMINASE

(Plasmodium
vivax) 		PF00962
(A_deaminase) 		7 LEU A  85
HIS A 225
GLU A 228
GLU A 202
HIS A 252
SER A 279
ASP A 309
 MCF  A 372 (-4.7A)
ZN  A 371 ( 3.4A)
MCF  A 372 (-2.8A)
None
MCF  A 372 (-4.1A)
MCF  A 372 ( 4.7A)
MCF  A 372 ( 2.4A)
 0.70A 4aqlA-3ewdA:
19.4		 4aqlA-3ewdA:
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.
3fkj PUTATIVE
PHOSPHOSUGAR
ISOMERASES

(Salmonella
enterica) 		PF01380
(SIS) 		5 LEU A 160
LEU A 141
GLU A  46
ALA A  47
SER A 286
 None
 1.38A 4aqlA-3fkjA:
undetectable		 4aqlA-3fkjA:
21.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3g77 CYTOSINE DEAMINASE

(Escherichia
coli) 		PF07969
(Amidohydro_3) 		5 LEU A  81
HIS A 214
GLU A 217
HIS A 246
ASP A 313
 None
FE  A 502 (-3.6A)
None
FE  A 502 ( 4.8A)
FE  A 502 (-3.2A)
 0.63A 4aqlA-3g77A:
31.9		 4aqlA-3g77A:
21.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hpa AMIDOHYDROLASE

(unidentified) 		PF01979
(Amidohydro_1) 		5 GLN A  98
HIS A 259
HIS A 296
SER A 321
ASP A 347
 None
ZN  A 480 (-3.5A)
ZN  A 480 ( 4.8A)
None
ZN  A 480 (-3.2A)
 0.40A 4aqlA-3hpaA:
43.1		 4aqlA-3hpaA:
25.39
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.
3hpa AMIDOHYDROLASE

(unidentified) 		PF01979
(Amidohydro_1) 		6 GLN A  98
LEU A 112
LEU A 116
HIS A 259
GLU A 262
HIS A 296
 None
None
None
ZN  A 480 (-3.5A)
None
ZN  A 480 ( 4.8A)
 1.13A 4aqlA-3hpaA:
43.1		 4aqlA-3hpaA:
25.39
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.
3hpa AMIDOHYDROLASE

(unidentified) 		PF01979
(Amidohydro_1) 		5 GLN A  98
LEU A 116
HIS A 259
HIS A 296
SER A 321
 None
None
ZN  A 480 (-3.5A)
ZN  A 480 ( 4.8A)
None
 0.76A 4aqlA-3hpaA:
43.1		 4aqlA-3hpaA:
25.39
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.
3hpa AMIDOHYDROLASE

(unidentified) 		PF01979
(Amidohydro_1) 		5 LEU A 112
HIS A 259
HIS A 296
SER A 321
ASP A 347
 None
ZN  A 480 (-3.5A)
ZN  A 480 ( 4.8A)
None
ZN  A 480 (-3.2A)
 1.10A 4aqlA-3hpaA:
43.1		 4aqlA-3hpaA:
25.39
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.
3k50 PUTATIVE S41
PROTEASE

(Bacteroides
fragilis) 		PF03572
(Peptidase_S41) 		5 GLN A 228
LEU A 303
ARG A 235
ALA A 272
SER A 260
 None
 1.22A 4aqlA-3k50A:
2.2		 4aqlA-3k50A:
21.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3k5z FEM-3 MRNA-BINDING
FACTOR 2

(Caenorhabditis
elegans) 		PF00806
(PUF) 		5 LEU A 337
LEU A 389
ARG A 392
ALA A 375
ASP A 345
 None
 1.17A 4aqlA-3k5zA:
undetectable		 4aqlA-3k5zA:
22.91
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.
3lgg ADENOSINE DEAMINASE
CECR1

(Homo sapiens) 		PF00962
(A_deaminase)
PF08451
(A_deaminase_N) 		6 HIS A 330
GLU A 333
GLU A 302
HIS A 358
SER A 385
ASP A 415
 ZN  A 512 ( 3.5A)
CFE  A 513 (-3.0A)
None
CFE  A 513 ( 4.3A)
CFE  A 513 ( 4.5A)
CFE  A 513 ( 2.8A)
 0.54A 4aqlA-3lggA:
2.4		 4aqlA-3lggA:
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.
3lnp AMIDOHYDROLASE
FAMILY PROTEIN
OLEI01672_1_465

(Oleispira
antarctica) 		PF01979
(Amidohydro_1) 		6 HIS A 243
GLU A 246
GLU A 250
HIS A 280
SER A 305
ASP A 331
 CA  A 471 (-4.7A)
None
None
None
None
CA  A 471 (-2.7A)
 0.76A 4aqlA-3lnpA:
43.9		 4aqlA-3lnpA:
26.44
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.
3lnp AMIDOHYDROLASE
FAMILY PROTEIN
OLEI01672_1_465

(Oleispira
antarctica) 		PF01979
(Amidohydro_1) 		6 LEU A 106
HIS A 243
GLU A 246
GLU A 250
HIS A 280
ASP A 331
 None
CA  A 471 (-4.7A)
None
None
None
CA  A 471 (-2.7A)
 1.41A 4aqlA-3lnpA:
43.9		 4aqlA-3lnpA:
26.44
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.
3lnp AMIDOHYDROLASE
FAMILY PROTEIN
OLEI01672_1_465

(Oleispira
antarctica) 		PF01979
(Amidohydro_1) 		6 LEU A 110
GLU A 246
GLU A 250
HIS A 280
SER A 305
ASP A 331
 None
None
None
None
None
CA  A 471 (-2.7A)
 0.82A 4aqlA-3lnpA:
43.9		 4aqlA-3lnpA:
26.44
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.
3mdu N-FORMIMINO-L-GLUTAM
ATE IMINOHYDROLASE

(Pseudomonas
aeruginosa) 		PF01979
(Amidohydro_1) 		5 GLN A  61
HIS A 232
GLU A 235
HIS A 269
ASP A 320
 NGQ  A 455 (-3.4A)
ZN  A 454 (-3.3A)
NGQ  A 455 (-2.9A)
None
ZN  A 454 (-2.9A)
 0.50A 4aqlA-3mduA:
38.0		 4aqlA-3mduA:
23.20
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.
3mdu N-FORMIMINO-L-GLUTAM
ATE IMINOHYDROLASE

(Pseudomonas
aeruginosa) 		PF01979
(Amidohydro_1) 		5 GLN A  61
LEU A 298
HIS A 232
GLU A 235
HIS A 269
 NGQ  A 455 (-3.4A)
NGQ  A 455 (-4.7A)
ZN  A 454 (-3.3A)
NGQ  A 455 (-2.9A)
None
 1.29A 4aqlA-3mduA:
38.0		 4aqlA-3mduA:
23.20
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.
3nwg MICROCOMPARTMENTS
PROTEIN

(Desulfitobacterium
hafniense) 		PF00936
(BMC) 		5 LEU A   6
LEU A  44
GLU A   8
ALA A  18
SER A 103
 None
 1.39A 4aqlA-3nwgA:
undetectable		 4aqlA-3nwgA:
17.86
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.
3pao ADENOSINE DEAMINASE

(Pseudomonas
aeruginosa) 		PF00962
(A_deaminase) 		8 LEU A  56
LEU A  60
HIS A 196
GLU A 199
GLU A 171
HIS A 220
SER A 247
ASP A 277
 ADE  A 328 (-4.6A)
ADE  A 328 (-4.9A)
ZN  A 327 ( 3.5A)
ADE  A 328 (-3.0A)
None
ADE  A 328 ( 4.2A)
ADE  A 328 ( 4.5A)
ZN  A 327 ( 2.6A)
 0.81A 4aqlA-3paoA:
5.0		 4aqlA-3paoA:
22.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rcm TATD FAMILY
HYDROLASE

(Pseudomonas
putida) 		PF01026
(TatD_DNase) 		5 ARG A 135
HIS A 133
ALA A 166
HIS A 158
ASP A 209
 CIT  A 289 (-4.0A)
ZN  A 288 ( 3.2A)
None
ZN  A 288 ( 3.2A)
CIT  A 289 (-3.3A)
 1.17A 4aqlA-3rcmA:
15.3		 4aqlA-3rcmA:
19.87
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.
3rys ADENOSINE DEAMINASE
1

(Paenarthrobacter
aurescens) 		PF00962
(A_deaminase) 		8 LEU A  59
LEU A  63
HIS A 199
GLU A 202
GLU A 174
HIS A 223
SER A 250
ASP A 280
 ADE  A 345 (-4.5A)
None
ZN  A 344 ( 3.4A)
ADE  A 345 (-2.8A)
None
ADE  A 345 ( 4.2A)
ADE  A 345 ( 4.2A)
ZN  A 344 ( 2.5A)
 0.78A 4aqlA-3rysA:
22.4		 4aqlA-3rysA:
21.12
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.
3s83 GGDEF FAMILY PROTEIN

(Caulobacter
vibrioides) 		PF00563
(EAL) 		5 LEU A 325
ARG A 470
GLU A 323
ALA A 528
ASP A 446
 None
None
K  A 549 (-3.4A)
None
K  A 549 (-3.4A)
 1.35A 4aqlA-3s83A:
6.6		 4aqlA-3s83A:
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.
3v7p AMIDOHYDROLASE
FAMILY PROTEIN

(Nitratiruptor
sp. SB155-2) 		PF01979
(Amidohydro_1) 		6 HIS A 206
GLU A 209
GLU A 213
HIS A 257
SER A 282
ASP A 306
 FE  A 429 (-3.3A)
UNL  A 436 ( 2.8A)
None
None
None
FE  A 429 (-3.1A)
 0.76A 4aqlA-3v7pA:
40.4		 4aqlA-3v7pA:
24.25
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.
3v7p AMIDOHYDROLASE
FAMILY PROTEIN

(Nitratiruptor
sp. SB155-2) 		PF01979
(Amidohydro_1) 		5 LEU A  82
GLU A 209
GLU A 213
HIS A 257
SER A 282
 None
UNL  A 436 ( 2.8A)
None
None
None
 0.83A 4aqlA-3v7pA:
40.4		 4aqlA-3v7pA:
24.25
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.
4cs6 AMINOGLYCOSIDE
ADENYLTRANSFERASE

(Salmonella
enterica) 		PF01909
(NTP_transf_2)
PF13427
(DUF4111) 		5 LEU A 212
LEU A 216
PHE A 249
ALA A 227
SER A 198
 None
 1.08A 4aqlA-4cs6A:
undetectable		 4aqlA-4cs6A:
21.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dyk AMIDOHYDROLASE

(Pseudomonas
aeruginosa) 		PF01979
(Amidohydro_1) 		5 HIS A 221
GLU A 224
HIS A 258
SER A 283
ASP A 309
 ZN  A 501 (-3.3A)
None
None
None
ZN  A 501 (-2.6A)
 0.43A 4aqlA-4dykA:
44.3		 4aqlA-4dykA:
27.02
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.
4dzh AMIDOHYDROLASE

(Xanthomonas
campestris) 		PF01979
(Amidohydro_1) 		5 HIS A 227
GLU A 230
GLU A 234
HIS A 264
ASP A 315
 ZN  A 504 (-3.3A)
ZN  A 505 ( 4.2A)
None
ZN  A 505 ( 4.8A)
ZN  A 505 ( 2.0A)
 0.68A 4aqlA-4dzhA:
44.7		 4aqlA-4dzhA:
27.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dzh AMIDOHYDROLASE

(Xanthomonas
campestris) 		PF01979
(Amidohydro_1) 		5 HIS A 227
GLU A 230
HIS A 264
SER A 289
ASP A 315
 ZN  A 504 (-3.3A)
ZN  A 505 ( 4.2A)
ZN  A 505 ( 4.8A)
ZN  A 505 ( 4.0A)
ZN  A 505 ( 2.0A)
 0.35A 4aqlA-4dzhA:
44.7		 4aqlA-4dzhA:
27.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dzh AMIDOHYDROLASE

(Xanthomonas
campestris) 		PF01979
(Amidohydro_1) 		5 LEU A  99
GLU A 107
ALA A 108
HIS A  80
ASP A 315
 None
None
None
ZN  A 504 (-3.1A)
ZN  A 505 ( 2.0A)
 1.37A 4aqlA-4dzhA:
44.7		 4aqlA-4dzhA:
27.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dzh AMIDOHYDROLASE

(Xanthomonas
campestris) 		PF01979
(Amidohydro_1) 		5 LEU A  99
GLU A 230
HIS A 264
SER A 289
ASP A 315
 None
ZN  A 505 ( 4.2A)
ZN  A 505 ( 4.8A)
ZN  A 505 ( 4.0A)
ZN  A 505 ( 2.0A)
 0.64A 4aqlA-4dzhA:
44.7		 4aqlA-4dzhA:
27.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4f0l AMIDOHYDROLASE

(Brucella
abortus) 		PF01979
(Amidohydro_1) 		5 GLN A  66
HIS A 237
GLU A 240
HIS A 274
ASP A 325
 None
FE  A 501 (-3.5A)
None
None
FE  A 501 (-2.8A)
 0.46A 4aqlA-4f0lA:
37.0		 4aqlA-4f0lA:
23.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4f0l AMIDOHYDROLASE

(Brucella
abortus) 		PF01979
(Amidohydro_1) 		5 GLN A  66
HIS A 237
GLU A 244
HIS A 274
ASP A 325
 None
FE  A 501 (-3.5A)
None
None
FE  A 501 (-2.8A)
 0.76A 4aqlA-4f0lA:
37.0		 4aqlA-4f0lA:
23.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4f0l AMIDOHYDROLASE

(Brucella
abortus) 		PF01979
(Amidohydro_1) 		5 GLN A  66
LEU A 303
HIS A 237
GLU A 240
HIS A 274
 None
None
FE  A 501 (-3.5A)
None
None
 1.29A 4aqlA-4f0lA:
37.0		 4aqlA-4f0lA:
23.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4f0s 5-METHYLTHIOADENOSIN
E/S-ADENOSYLHOMOCYST
EINE DEAMINASE

(Chromobacterium
violaceum) 		PF01979
(Amidohydro_1) 		7 LEU A  87
LEU A  91
HIS A 219
GLU A 222
GLU A 226
HIS A 256
ASP A 307
 NOS  A 501 (-4.8A)
NOS  A 501 ( 4.8A)
NOS  A 501 (-3.5A)
NOS  A 501 (-3.0A)
None
NOS  A 501 (-4.0A)
NOS  A 501 (-2.8A)
 0.78A 4aqlA-4f0sA:
46.9		 4aqlA-4f0sA:
26.81
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.
4f0s 5-METHYLTHIOADENOSIN
E/S-ADENOSYLHOMOCYST
EINE DEAMINASE

(Chromobacterium
violaceum) 		PF01979
(Amidohydro_1) 		6 LEU A  91
HIS A 219
GLU A 222
HIS A 256
SER A 281
ASP A 307
 NOS  A 501 ( 4.8A)
NOS  A 501 (-3.5A)
NOS  A 501 (-3.0A)
NOS  A 501 (-4.0A)
None
NOS  A 501 (-2.8A)
 0.64A 4aqlA-4f0sA:
46.9		 4aqlA-4f0sA:
26.81
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.
4gxw ADENOSINE DEAMINASE

(Burkholderia
ambifaria) 		PF00962
(A_deaminase) 		5 HIS A 215
GLU A 218
GLU A 190
HIS A 240
ASP A 300
 ZN  A 401 (-3.4A)
None
None
None
ZN  A 401 (-2.6A)
 0.70A 4aqlA-4gxwA:
20.4		 4aqlA-4gxwA:
20.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gxw ADENOSINE DEAMINASE

(Burkholderia
ambifaria) 		PF00962
(A_deaminase) 		5 LEU A  76
HIS A 215
GLU A 218
HIS A 240
ASP A 300
 None
ZN  A 401 (-3.4A)
None
None
ZN  A 401 (-2.6A)
 0.85A 4aqlA-4gxwA:
20.4		 4aqlA-4gxwA:
20.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hjf GGDEF FAMILY PROTEIN

(Caulobacter
vibrioides) 		PF00563
(EAL) 		5 LEU A 325
ARG A 470
GLU A 323
ALA A 528
ASP A 446
 C2E  A 603 (-3.5A)
C2E  A 603 (-4.1A)
CA  A 601 ( 2.7A)
None
CA  A 602 (-2.7A)
 1.14A 4aqlA-4hjfA:
7.0		 4aqlA-4hjfA:
24.17
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.
4mru SUSD HOMOLOG

(Bacteroides
thetaiotaomicron) 		PF12741
(SusD-like) 		5 LEU A 233
PHE A 183
ALA A 249
SER A 455
ASP A 146
 None
None
EDO  A 603 (-3.8A)
None
None
 1.31A 4aqlA-4mruA:
undetectable		 4aqlA-4mruA:
23.38
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.
4mtt LACTOYLGLUTATHIONE
LYASE

(Pseudomonas
aeruginosa) 		PF00903
(Glyoxalase) 		5 LEU A  41
ARG A   9
GLU A  56
ALA A  16
HIS A   5
 None
None
ZN  A 203 (-2.8A)
None
ZN  A 203 (-3.2A)
 1.35A 4aqlA-4mttA:
undetectable		 4aqlA-4mttA:
14.77
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.
4ox2 PHOSPHOENOLPYRUVATE
CARBOXYKINASE,
CYTOSOLIC [GTP]

(Rattus
norvegicus) 		PF00821
(PEPCK_C)
PF17297
(PEPCK_N) 		5 LEU A 323
GLU A 263
ALA A 283
HIS A 496
SER A 499
 None
 1.23A 4aqlA-4ox2A:
undetectable		 4aqlA-4ox2A:
22.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4r85 CYTOSINE DEAMINASE

(Klebsiella
pneumoniae) 		PF07969
(Amidohydro_3) 		5 LEU A  76
HIS A 209
GLU A 212
HIS A 241
ASP A 308
 17E  A 501 (-4.9A)
FE2  A 502 ( 3.4A)
17E  A 501 (-2.9A)
FE2  A 502 ( 3.7A)
FE2  A 502 ( 2.8A)
 0.66A 4aqlA-4r85A:
31.5		 4aqlA-4r85A:
22.91
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.
4u1c EUKARYOTIC
TRANSLATION
INITIATION FACTOR 3
SUBUNIT C

(Saccharomyces
cerevisiae) 		PF01399
(PCI)
PF05470
(eIF-3c_N) 		5 GLN C 412
LEU C 482
LEU C 486
GLU C 452
SER C 469
 None
 1.37A 4aqlA-4u1cC:
undetectable		 4aqlA-4u1cC:
23.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ubq BETA-LACTAMASE

(Acinetobacter
baumannii) 		no annotation 5 HIS A 140
ALA A 181
HIS A  78
SER A  83
ASP A  82
 ZN  A 301 ( 3.3A)
None
ZN  A 301 (-3.4A)
None
ZN  A 302 (-3.0A)
 1.25A 4aqlA-4ubqA:
undetectable		 4aqlA-4ubqA:
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.
4uer EIF3C

(Lachancea
kluyveri) 		PF00189
(Ribosomal_S3_C)
PF07650
(KH_2) 		5 GLN c 412
LEU c 482
LEU c 486
GLU c 452
SER c 469
 None
 1.37A 4aqlA-4uerc:
undetectable		 4aqlA-4uerc:
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.
4unr THYMIDYLATE KINASE

(Mycobacterium
tuberculosis) 		PF02223
(Thymidylate_kin) 		5 LEU A 130
ARG A  38
PHE A  36
GLU A 124
ALA A   4
 None
 1.17A 4aqlA-4unrA:
undetectable		 4aqlA-4unrA:
16.94
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.
4uwq SULFUR OXIDATION
PROTEIN SOXB

(Thermus
thermophilus) 		PF02872
(5_nucleotid_C) 		5 HIS A 297
ALA A 282
HIS A 274
SER A  46
ASP A  47
 MN  A 581 (-3.3A)
None
MN  A 581 (-3.5A)
None
MN  A 580 (-3.2A)
 1.12A 4aqlA-4uwqA:
undetectable		 4aqlA-4uwqA:
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.
4v1y ATRAZINE
CHLOROHYDROLASE

(Pseudomonas sp.
ADP) 		PF01979
(Amidohydro_1) 		5 GLN A  71
HIS A 243
GLU A 246
HIS A 276
SER A 301
 None
FE  A 481 (-4.1A)
FE  A 481 ( 4.3A)
FE  A 481 (-3.9A)
None
 0.91A 4aqlA-4v1yA:
41.0		 4aqlA-4v1yA:
25.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4v1y ATRAZINE
CHLOROHYDROLASE

(Pseudomonas sp.
ADP) 		PF01979
(Amidohydro_1) 		5 GLU A 246
ALA A 220
HIS A 276
SER A 301
ASP A 327
 FE  A 481 ( 4.3A)
None
FE  A 481 (-3.9A)
None
FE  A 481 (-2.8A)
 1.28A 4aqlA-4v1yA:
41.0		 4aqlA-4v1yA:
25.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4v1y ATRAZINE
CHLOROHYDROLASE

(Pseudomonas sp.
ADP) 		PF01979
(Amidohydro_1) 		6 LEU A  88
HIS A 243
GLU A 246
HIS A 276
SER A 301
ASP A 327
 None
FE  A 481 (-4.1A)
FE  A 481 ( 4.3A)
FE  A 481 (-3.9A)
None
FE  A 481 (-2.8A)
 0.69A 4aqlA-4v1yA:
41.0		 4aqlA-4v1yA:
25.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zej METALLO-BETA-LACTAMA
SE

(Pseudomonas
stutzeri) 		no annotation 5 ARG A 161
HIS A 139
ALA A 186
HIS A  77
ASP A  81
 CL  A 305 (-3.5A)
ZN  A 302 (-3.3A)
None
ZN  A 302 ( 3.3A)
ZN  A 301 ( 2.5A)
 1.06A 4aqlA-4zejA:
undetectable		 4aqlA-4zejA:
18.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5d1z IRON-REGULATED
SURFACE DETERMINANT
PROTEIN B

(Staphylococcus
aureus) 		PF05031
(NEAT) 		5 LEU I 189
LEU I 187
PHE I 153
HIS I 166
SER I 238
 None
 1.37A 4aqlA-5d1zI:
undetectable		 4aqlA-5d1zI:
16.74
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.
5fn4 GAMMA-SECRETASE
SUBUNIT APH-1A

(Homo sapiens) 		PF06105
(Aph-1) 		5 PHE C 125
HIS C 171
ALA C  89
HIS C 197
SER C 201
 None
 1.40A 4aqlA-5fn4C:
undetectable		 4aqlA-5fn4C:
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.
5k7f TRANSCRIPTIONAL
REGULATOR, TETR
FAMILY

(Myxococcus
xanthus) 		PF00440
(TetR_N) 		5 LEU A  71
LEU A 100
ARG A 103
GLU A  20
ALA A  23
 None
 1.36A 4aqlA-5k7fA:
undetectable		 4aqlA-5k7fA:
19.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ks8 PYRUVATE CARBOXYLASE
SUBUNIT BETA

(Methylobacillus
flagellatus) 		PF00364
(Biotin_lipoyl)
PF00682
(HMGL-like)
PF02436
(PYC_OADA) 		5 LEU C  81
ARG C 114
HIS C 203
HIS C 205
SER C  17
 PYR  C2001 (-4.7A)
None
MN  C2002 (-3.5A)
MN  C2002 (-3.6A)
None
 1.35A 4aqlA-5ks8C:
5.4		 4aqlA-5ks8C:
21.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5oko PHOSPHATIDYLINOSITOL
3,4,5-TRISPHOSPHATE
5-PHOSPHATASE 2

(Homo sapiens) 		PF03372
(Exo_endo_phos) 		5 HIS A 858
GLU A 836
ALA A 755
SER A 596
ASP A 594
 None
 1.32A 4aqlA-5okoA:
undetectable		 4aqlA-5okoA:
23.30
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.
5tzy FREE FATTY ACID
RECEPTOR
1,ENDOLYSIN,FREE
FATTY ACID RECEPTOR
1

(Escherichia
virus T4;
Homo sapiens) 		PF00001
(7tm_1)
PF00959
(Phage_lysozyme) 		5 LEU A2262
PHE A  82
GLU A 172
GLU A  65
ALA A  63
 None
 1.17A 4aqlA-5tzyA:
undetectable		 4aqlA-5tzyA:
23.40
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.
5vmm IRON-REGULATED CELL
WALL-ANCHORED
PROTEIN

(Staphylococcus
aureus) 		no annotation 5 LEU H 189
LEU H 187
PHE H 153
HIS H 166
SER H 238
 None
 1.37A 4aqlA-5vmmH:
undetectable		 4aqlA-5vmmH:
16.07
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.
5vyw PYRUVATE CARBOXYLASE

(Lactococcus
lactis) 		PF00289
(Biotin_carb_N)
PF00682
(HMGL-like)
PF02436
(PYC_OADA)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		5 LEU A 604
ARG A 637
HIS A 732
HIS A 734
SER A 538
 None
None
MN  A1201 (-4.0A)
MN  A1201 (-4.0A)
None
 1.39A 4aqlA-5vywA:
6.3		 4aqlA-5vywA:
17.20
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.
1b24 PROTEIN (I-DMOI)

(Desulfurococcus
mucosus) 		PF14528
(LAGLIDADG_3) 		4 HIS A 152
LEU A 142
LEU A 125
ASP A 169
 None
 1.27A 4aqlA-1b24A:
undetectable		 4aqlA-1b24A:
16.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1bqg D-GLUCARATE
DEHYDRATASE

(Pseudomonas
putida) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 HIS A 416
LEU A  71
LEU A  19
ASP A  73
 None
 1.31A 4aqlA-1bqgA:
3.8		 4aqlA-1bqgA:
20.16
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.
1dmw PHENYLALANINE
HYDROXYLASE

(Homo sapiens) 		PF00351
(Biopterin_H) 		4 HIS A 170
LEU A 227
LEU A 234
ASP A 229
 None
 1.17A 4aqlA-1dmwA:
undetectable		 4aqlA-1dmwA:
21.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1drt CLAVAMINATE SYNTHASE
1

(Streptomyces
clavuligerus) 		PF02668
(TauD) 		4 HIS A 108
LEU A 270
LEU A  63
ASP A 268
 None
 1.30A 4aqlA-1drtA:
undetectable		 4aqlA-1drtA:
22.42
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.
1fwx NITROUS OXIDE
REDUCTASE

(Paracoccus
denitrificans) 		PF13473
(Cupredoxin_1) 		4 HIS A 270
LEU A  78
LEU A 130
ASP A  99
 CUZ  A4801 (-3.2A)
None
None
None
 1.23A 4aqlA-1fwxA:
undetectable		 4aqlA-1fwxA:
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.
1phz PROTEIN
(PHENYLALANINE
HYDROXYLASE)

(Rattus
norvegicus) 		PF00351
(Biopterin_H)
PF01842
(ACT) 		4 HIS A 170
LEU A 227
LEU A 234
ASP A 229
 None
 1.22A 4aqlA-1phzA:
undetectable		 4aqlA-1phzA:
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.
1rp1 PANCREATIC LIPASE
RELATED PROTEIN 1

(Canis lupus) 		PF00151
(Lipase)
PF01477
(PLAT) 		4 HIS A 151
LEU A 248
LEU A 213
ASP A 247
 None
 1.23A 4aqlA-1rp1A:
undetectable		 4aqlA-1rp1A:
22.30
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.
1szq 2-METHYLCITRATE
DEHYDRATASE

(Escherichia
coli) 		PF03972
(MmgE_PrpD) 		4 HIS A 346
LEU A 282
TRP A 110
ASP A 103
 None
 1.05A 4aqlA-1szqA:
undetectable		 4aqlA-1szqA:
20.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tvd T CELL RECEPTOR

(Homo sapiens) 		PF07686
(V-set) 		4 HIS A  64
LEU A  92
LEU A 104
ASP A 102
 None
 1.28A 4aqlA-1tvdA:
undetectable		 4aqlA-1tvdA:
14.10
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.
1um1 KIAA1849 PROTEIN

(Homo sapiens) 		PF00595
(PDZ) 		4 HIS A  83
LEU A  25
LEU A  69
ASP A  27
 None
 1.31A 4aqlA-1um1A:
undetectable		 4aqlA-1um1A:
14.20
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.
1umi F-BOX ONLY PROTEIN 2

(Mus musculus) 		PF04300
(FBA) 		4 LEU A 188
TRP A 194
LEU A 127
ASP A 187
 None
 1.22A 4aqlA-1umiA:
undetectable		 4aqlA-1umiA:
17.39
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.
1vli SPORE COAT
POLYSACCHARIDE
BIOSYNTHESIS PROTEIN
SPSE

(Bacillus
subtilis) 		PF03102
(NeuB)
PF08666
(SAF) 		4 HIS A 214
LEU A 232
LEU A 106
ASP A  47
 ZN  A 374 (-3.5A)
None
None
None
 1.29A 4aqlA-1vliA:
3.8		 4aqlA-1vliA:
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.
1z5y THIOL:DISULFIDE
INTERCHANGE PROTEIN
DSBE

(Escherichia
coli) 		PF08534
(Redoxin) 		4 HIS E  87
LEU E 127
LEU E  73
ASP E 129
 None
 1.27A 4aqlA-1z5yE:
undetectable		 4aqlA-1z5yE:
14.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2atf CYSTEINE DIOXYGENASE
TYPE I

(Mus musculus) 		PF05995
(CDO_I) 		4 HIS A 140
LEU A 154
TRP A  77
LEU A 156
 NI  A 201 (-3.3A)
None
None
None
 1.31A 4aqlA-2atfA:
undetectable		 4aqlA-2atfA:
17.70
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.
2bdw HYPOTHETICAL PROTEIN
K11E8.1D

(Caenorhabditis
elegans) 		PF00069
(Pkinase) 		4 HIS A 127
LEU A 252
LEU A 203
ASP A 249
 None
 1.26A 4aqlA-2bdwA:
undetectable		 4aqlA-2bdwA:
21.62
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.
2d40 PUTATIVE GENTISATE
1,2-DIOXYGENASE

(Escherichia
coli) 		PF07883
(Cupin_2) 		4 LEU A  73
TRP A  45
LEU A 163
ASP A 159
 None
 1.33A 4aqlA-2d40A:
undetectable		 4aqlA-2d40A:
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.
2dut HETEROCHROMATIN-ASSO
CIATED PROTEIN MENT

(Gallus gallus) 		PF00079
(Serpin) 		4 HIS A  59
LEU A 312
LEU A  19
ASP A 314
 None
 1.13A 4aqlA-2dutA:
undetectable		 4aqlA-2dutA:
22.20
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.
2ehb CALCINEURIN B-LIKE
PROTEIN 4
CBL-INTERACTING
SERINE/THREONINE-PRO
TEIN KINASE 24

(Arabidopsis
thaliana) 		PF03822
(NAF)
PF13202
(EF-hand_5)
PF13499
(EF-hand_7) 		4 HIS A 103
LEU D 327
LEU A  41
ASP D 329
 None
 1.26A 4aqlA-2ehbA:
undetectable		 4aqlA-2ehbA:
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.
2fkz BACTERIOFERRITIN

(Azotobacter
vinelandii) 		PF00210
(Ferritin) 		4 HIS A 130
LEU A  58
LEU A  19
ASP A  56
 FE2  A1601 ( 4.7A)
None
None
None
 1.29A 4aqlA-2fkzA:
undetectable		 4aqlA-2fkzA:
16.08
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.
2g0f THIOL:DISULFIDE
INTERCHANGE PROTEIN
DSBE

(Escherichia
coli) 		PF08534
(Redoxin) 		4 HIS A  87
LEU A 127
LEU A  73
ASP A 129
 None
 1.33A 4aqlA-2g0fA:
undetectable		 4aqlA-2g0fA:
16.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gq0 CHAPERONE PROTEIN
HTPG

(Escherichia
coli) 		PF00183
(HSP90) 		4 HIS A 265
LEU A 348
LEU A 299
ASP A 329
 None
 1.30A 4aqlA-2gq0A:
undetectable		 4aqlA-2gq0A:
19.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ppl PANCREATIC
LIPASE-RELATED
PROTEIN 1

(Homo sapiens) 		PF00151
(Lipase)
PF01477
(PLAT) 		4 HIS A 170
LEU A 266
LEU A 231
ASP A 265
 None
 1.23A 4aqlA-2pplA:
undetectable		 4aqlA-2pplA:
23.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qzc TRANSCRIPTIONAL
ACTIVATOR TENA-1

(Sulfolobus
solfataricus) 		PF03070
(TENA_THI-4) 		4 HIS A  88
LEU A  37
LEU A  35
ASP A  38
 None
 1.18A 4aqlA-2qzcA:
undetectable		 4aqlA-2qzcA:
20.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2r6f EXCINUCLEASE ABC
SUBUNIT A

(Geobacillus
stearothermophilus) 		PF00005
(ABC_tran) 		4 HIS A 660
LEU A 852
LEU A 882
ASP A 853
 None
 1.19A 4aqlA-2r6fA:
2.4		 4aqlA-2r6fA:
19.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2rad SUCCINOGLYCAN
BIOSYNTHESIS PROTEIN

(Bacillus cereus) 		PF05139
(Erythro_esteras) 		4 HIS A  95
LEU A 122
TRP A 304
ASP A 123
 None
 1.24A 4aqlA-2radA:
undetectable		 4aqlA-2radA:
22.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vrk ALPHA-L-ARABINOFURAN
OSIDASE

(Thermobacillus
xylanilyticus) 		PF06964
(Alpha-L-AF_C) 		4 HIS A 334
LEU A 324
LEU A 447
ASP A 322
 None
 0.83A 4aqlA-2vrkA:
4.4		 4aqlA-2vrkA:
21.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vrk ALPHA-L-ARABINOFURAN
OSIDASE

(Thermobacillus
xylanilyticus) 		PF06964
(Alpha-L-AF_C) 		4 HIS A 378
LEU A 324
LEU A 447
ASP A 322
 None
 0.97A 4aqlA-2vrkA:
4.4		 4aqlA-2vrkA:
21.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wjs LAMININ SUBUNIT
ALPHA-2

(Mus musculus) 		PF00054
(Laminin_G_1) 		4 HIS A2257
LEU A2203
LEU A2191
ASP A2205
 NAG  A4001 (-3.5A)
None
None
None
 1.26A 4aqlA-2wjsA:
undetectable		 4aqlA-2wjsA:
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.
2xvg ALPHA XYLOSIDASE

(Cellvibrio
japonicus) 		PF01055
(Glyco_hydro_31)
PF16338
(DUF4968)
PF17137
(DUF5110) 		4 HIS A 352
LEU A 241
LEU A 308
ASP A 275
 None
 1.28A 4aqlA-2xvgA:
3.5		 4aqlA-2xvgA:
18.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ywb GMP SYNTHASE
[GLUTAMINE-HYDROLYZI
NG]

(Thermus
thermophilus) 		PF00117
(GATase)
PF00958
(GMP_synt_C) 		4 HIS A 164
LEU A   5
LEU A  83
ASP A  32
 None
 1.06A 4aqlA-2ywbA:
undetectable		 4aqlA-2ywbA:
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.
2z00 DIHYDROOROTASE

(Thermus
thermophilus) 		PF01979
(Amidohydro_1) 		4 HIS A  55
LEU A  73
LEU A 103
ASP A  68
 ZN  A1004 (-3.2A)
None
None
None
 1.23A 4aqlA-2z00A:
19.6		 4aqlA-2z00A:
22.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zbl PUTATIVE ISOMERASE

(Salmonella
enterica) 		PF07221
(GlcNAc_2-epim) 		4 HIS A   9
LEU A 352
LEU A 384
ASP A 354
 None
 1.22A 4aqlA-2zblA:
undetectable		 4aqlA-2zblA:
20.35
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.
3b2d CD180 ANTIGEN

(Homo sapiens) 		PF00560
(LRR_1)
PF13855
(LRR_8) 		4 HIS A  69
LEU A 106
LEU A  79
ASP A  83
 None
 1.33A 4aqlA-3b2dA:
undetectable		 4aqlA-3b2dA:
21.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bg2 DGTP
TRIPHOSPHOHYDROLASE

(Leeuwenhoekiella
blandensis) 		PF01966
(HD) 		4 HIS A 243
LEU A 338
LEU A  79
ASP A 254
 None
 1.31A 4aqlA-3bg2A:
undetectable		 4aqlA-3bg2A:
22.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3czq PUTATIVE
POLYPHOSPHATE KINASE
2

(Sinorhizobium
meliloti) 		PF03976
(PPK2) 		4 HIS A 189
TRP A  77
LEU A  67
ASP A 280
 None
 1.22A 4aqlA-3czqA:
undetectable		 4aqlA-3czqA:
19.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dbx CD1-2 ANTIGEN

(Gallus gallus) 		PF07654
(C1-set)
PF16497
(MHC_I_3) 		4 HIS A 102
LEU A 107
TRP A 114
LEU A  35
 None
 1.28A 4aqlA-3dbxA:
undetectable		 4aqlA-3dbxA:
21.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ddm PUTATIVE MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME

(Bordetella
bronchiseptica) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 HIS A 308
LEU A 176
LEU A 227
ASP A 185
 None
 1.21A 4aqlA-3ddmA:
6.4		 4aqlA-3ddmA:
21.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dmk DOWN SYNDROME CELL
ADHESION MOLECULE
(DSCAM) ISOFORM
1.30.30, N-TERMINAL
EIGHT IG DOMAINS

(Drosophila
melanogaster) 		PF07679
(I-set)
PF13927
(Ig_3) 		4 HIS A 483
LEU A 430
TRP A 428
ASP A 466
 None
 1.18A 4aqlA-3dmkA:
undetectable		 4aqlA-3dmkA:
21.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3e0l GUANINE DEAMINASE

(Homo sapiens) 		PF01979
(Amidohydro_1) 		4 HIS A  84
LEU A 100
TRP A 102
ASP A 244
 ZN  A1452 (-3.1A)
None
None
None
 1.04A 4aqlA-3e0lA:
66.7		 4aqlA-3e0lA:
94.33
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.
3e3b CASEIN KINASE II
SUBUNIT ALPHA'

(Homo sapiens) 		PF00069
(Pkinase) 		4 HIS X 149
LEU X 306
LEU X 223
ASP X 303
 None
 1.03A 4aqlA-3e3bX:
undetectable		 4aqlA-3e3bX:
21.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3g0i EPOXIDE HYDROLASE

(Aspergillus
niger) 		PF06441
(EHN) 		4 HIS A 312
LEU A 176
LEU A 114
ASP A 174
 None
 1.33A 4aqlA-3g0iA:
2.1		 4aqlA-3g0iA:
20.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gsi N,N-DIMETHYLGLYCINE
OXIDASE

(Arthrobacter
globiformis) 		PF01266
(DAO)
PF01571
(GCV_T)
PF08669
(GCV_T_C)
PF16350
(FAO_M) 		4 HIS A 225
TRP A 361
LEU A 147
ASP A 145
 FAD  A 902 (-4.3A)
None
None
None
 1.09A 4aqlA-3gsiA:
undetectable		 4aqlA-3gsiA:
21.42
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.
3gvy BACTERIOFERRITIN

(Rhodobacter
sphaeroides) 		PF00210
(Ferritin) 		4 HIS A 130
LEU A  58
LEU A  19
ASP A  56
 None
 1.15A 4aqlA-3gvyA:
undetectable		 4aqlA-3gvyA:
16.74
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.
3hba PUTATIVE
PHOSPHOSUGAR
ISOMERASE

(Shewanella
denitrificans) 		PF01380
(SIS) 		4 HIS A  54
LEU A 209
LEU A 206
ASP A 257
 None
 1.06A 4aqlA-3hbaA:
undetectable		 4aqlA-3hbaA:
22.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3igh UNCHARACTERIZED
METAL-DEPENDENT
HYDROLASE

(Pyrococcus
horikoshii) 		PF07969
(Amidohydro_3) 		4 HIS X 379
LEU X 213
LEU X  93
ASP X 215
 SO4  X   4 (-4.0A)
None
None
None
 1.33A 4aqlA-3ighX:
3.1		 4aqlA-3ighX:
23.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3jwe MGLL PROTEIN

(Homo sapiens) 		PF12146
(Hydrolase_4) 		4 HIS A 113
LEU A  80
LEU A 124
ASP A  79
 None
 1.32A 4aqlA-3jweA:
2.9		 4aqlA-3jweA:
24.44
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.
3kl8 CALCIUM/CALMODULIN
DEPENDENT PROTEIN
KINASE II

(Caenorhabditis
elegans) 		PF00069
(Pkinase) 		4 HIS A 127
LEU A 251
LEU A 202
ASP A 248
 None
 1.30A 4aqlA-3kl8A:
undetectable		 4aqlA-3kl8A:
19.29
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.
3m3i PUTATIVE
UNCHARACTERIZED
PROTEIN

(Leishmania
major) 		PF06172
(Cupin_5) 		4 HIS A  66
LEU A  84
LEU A  58
ASP A  82
 None
 1.18A 4aqlA-3m3iA:
undetectable		 4aqlA-3m3iA:
15.38
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.
3mzb NICKEL-BINDING
PERIPLASMIC PROTEIN

(Escherichia
coli) 		PF00496
(SBP_bac_5) 		4 HIS A 459
LEU A 269
LEU A 251
ASP A 363
 ACT  A 502 (-3.8A)
None
None
None
 1.30A 4aqlA-3mzbA:
undetectable		 4aqlA-3mzbA:
24.28
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.
3nk4 ZONA PELLUCIDA 3

(Gallus gallus) 		PF00100
(Zona_pellucida) 		4 HIS A 219
LEU A 297
LEU A 274
ASP A 227
 None
 1.22A 4aqlA-3nk4A:
undetectable		 4aqlA-3nk4A:
18.48
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.
3nyb POLY(A) RNA
POLYMERASE PROTEIN 2
PROTEIN AIR2

(Saccharomyces
cerevisiae) 		PF00098
(zf-CCHC)
PF01909
(NTP_transf_2)
PF03828
(PAP_assoc) 		4 LEU A 179
TRP B 140
LEU A 372
ASP A 177
 None
 1.33A 4aqlA-3nybA:
undetectable		 4aqlA-3nybA:
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.
3oz6 MITOGEN-ACTIVATED
PROTEIN KINASE 1,
SERINE/THREONINE
PROTEIN KINASE

(Cryptosporidium
parvum) 		PF00069
(Pkinase) 		4 HIS A 126
LEU A 313
LEU A 221
ASP A 310
 None
 1.05A 4aqlA-3oz6A:
undetectable		 4aqlA-3oz6A:
23.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rv1 K. POLYSPORUS DCR1

(Vanderwaltozyma
polyspora) 		PF00636
(Ribonuclease_3) 		4 HIS A 123
LEU A 187
LEU A 194
ASP A 189
 None
 1.15A 4aqlA-3rv1A:
undetectable		 4aqlA-3rv1A:
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.
3ux8 EXCINUCLEASE ABC, A
SUBUNIT

(Geobacillus sp.
Y412MC52) 		PF00005
(ABC_tran) 		4 HIS A 660
LEU A 852
LEU A 882
ASP A 853
 None
 1.25A 4aqlA-3ux8A:
undetectable		 4aqlA-3ux8A:
23.20
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.
3v7p AMIDOHYDROLASE
FAMILY PROTEIN

(Nitratiruptor
sp. SB155-2) 		PF01979
(Amidohydro_1) 		4 HIS A 206
LEU A 308
TRP A  81
LEU A  64
 FE  A 429 (-3.3A)
None
None
None
 1.33A 4aqlA-3v7pA:
40.4		 4aqlA-3v7pA:
24.25
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.
4a3q ALANINE RACEMASE 1

(Staphylococcus
aureus) 		PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N) 		4 HIS A 369
LEU A 360
LEU A 331
ASP A 286
 None
 1.13A 4aqlA-4a3qA:
3.6		 4aqlA-4a3qA:
22.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bwp PAB-DEPENDENT
POLY(A)-SPECIFIC
RIBONUCLEASE SUBUNIT
PAN-3

(Drosophila
melanogaster) 		no annotation 4 HIS A 474
LEU A 480
LEU A 532
ASP A 550
 None
 1.23A 4aqlA-4bwpA:
undetectable		 4aqlA-4bwpA:
22.54
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.
4cnk L-AMINO ACID OXIDASE

(Streptococcus
cristatus) 		PF03486
(HI0933_like) 		4 HIS A 231
LEU A 227
LEU A 240
ASP A 226
 None
 1.33A 4aqlA-4cnkA:
undetectable		 4aqlA-4cnkA:
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.
4do7 AMIDOHYDROLASE 2

(Burkholderia
multivorans) 		PF04909
(Amidohydro_2) 		4 HIS A   9
LEU A  42
LEU A 249
ASP A 255
 ZN  A 401 (-4.2A)
None
None
None
 1.29A 4aqlA-4do7A:
12.7		 4aqlA-4do7A:
20.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4h5y LIDA PROTEIN,
SUBSTRATE OF THE
DOT/ICM SYSTEM

(Legionella
pneumophila) 		no annotation 4 HIS A 317
LEU A 254
LEU A 394
ASP A 256
 None
 1.16A 4aqlA-4h5yA:
undetectable		 4aqlA-4h5yA:
23.71
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.
4hiz ENDOSIALIDASE

(Enterobacteria
phage phi92) 		PF12217
(End_beta_propel)
PF12218
(End_N_terminal)
PF12219
(End_tail_spike) 		4 HIS A 220
LEU A 349
LEU A 395
ASP A 351
 EDO  A 810 (-3.9A)
None
None
None
 1.16A 4aqlA-4hizA:
undetectable		 4aqlA-4hizA:
21.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jc8 HOPS COMPONENT VPS33

(Chaetomium
thermophilum) 		PF00995
(Sec1) 		4 HIS A 108
LEU A  52
LEU A  21
ASP A  54
 None
 1.12A 4aqlA-4jc8A:
3.8		 4aqlA-4jc8A:
22.48
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.
4jza UNCHARACTERIZED
PROTEIN

(Legionella
longbeachae) 		no annotation 4 HIS A 354
LEU A 359
LEU A 148
ASP A 158
 None
 1.18A 4aqlA-4jzaA:
undetectable		 4aqlA-4jzaA:
21.55
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.
4md8 CASEIN KINASE II
SUBUNIT ALPHA

(Homo sapiens) 		PF00069
(Pkinase) 		4 HIS E 148
LEU E 305
LEU E 222
ASP E 302
 None
 0.97A 4aqlA-4md8E:
undetectable		 4aqlA-4md8E:
19.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mkv RIBULOSE
BISPHOSPHATE
CARBOXYLASE LARGE
CHAIN

(Pisum sativum) 		PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N) 		4 HIS A 294
LEU A 169
LEU A 400
ASP A 397
 RUB  A 501 ( 4.8A)
None
None
None
 1.30A 4aqlA-4mkvA:
5.9		 4aqlA-4mkvA:
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.
4mud RING OXYDATION
COMPLEX/
PHENYLACETIC ACID
DEGRADATION RELATED
PROTEIN

(Sulfolobus
solfataricus) 		PF05138
(PaaA_PaaC) 		4 HIS A 145
LEU A  30
LEU A  66
ASP A  27
 None
 1.19A 4aqlA-4mudA:
undetectable		 4aqlA-4mudA:
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.
4ow8 SERINE/THREONINE-PRO
TEIN KINASE PKNA

(Mycobacterium
tuberculosis) 		PF00069
(Pkinase) 		4 HIS A 139
LEU A 122
LEU A 103
ASP A 120
 None
 1.33A 4aqlA-4ow8A:
undetectable		 4aqlA-4ow8A:
20.46
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.
4qtb MITOGEN-ACTIVATED
PROTEIN KINASE 3

(Homo sapiens) 		PF00069
(Pkinase) 		4 HIS A 158
LEU A 311
LEU A 235
ASP A 308
 None
 1.02A 4aqlA-4qtbA:
undetectable		 4aqlA-4qtbA:
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.
4toc BACTERIOFERRITIN

(Pseudomonas
aeruginosa) 		PF00210
(Ferritin) 		4 HIS A 130
LEU A  58
LEU A  19
ASP A  56
 FE2  A 205 (-4.0A)
None
None
HEM  A 207 ( 4.7A)
 1.29A 4aqlA-4tocA:
undetectable		 4aqlA-4tocA:
17.10
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.
4w8i PROBABLE
SPHINGOSINE-1-PHOSPH
ATE LYASE

(Legionella
pneumophila) 		PF00282
(Pyridoxal_deC) 		4 HIS A 477
LEU A 521
LEU A 501
ASP A 520
 None
 1.15A 4aqlA-4w8iA:
undetectable		 4aqlA-4w8iA:
22.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4x00 PUTATIVE HYDROLASE

(Burkholderia
cenocepacia) 		PF12697
(Abhydrolase_6) 		4 HIS A 102
LEU A  94
LEU A  24
ASP A  92
 None
 1.27A 4aqlA-4x00A:
undetectable		 4aqlA-4x00A:
21.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xrl MITOGEN-ACTIVATED
PROTEIN KINASE 1

(Rattus
norvegicus) 		PF00069
(Pkinase) 		4 HIS A 139
LEU A 292
LEU A 216
ASP A 289
 None
 0.97A 4aqlA-4xrlA:
undetectable		 4aqlA-4xrlA:
22.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4y23 GAMMA GLUTAMYL
TRANSPEPTIDASE,GAMMA
-GLUTAMYLTRANSPEPTID
ASE

(Bacillus
licheniformis) 		PF01019
(G_glu_transpept) 		4 HIS A 277
LEU A 349
LEU A 300
ASP A 350
 None
 1.20A 4aqlA-4y23A:
undetectable		 4aqlA-4y23A:
21.70
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.
4ydz STRESS-INDUCED
PROTEIN 1

(Caenorhabditis
elegans) 		PF00011
(HSP20) 		4 HIS A 111
LEU A  57
LEU A  67
ASP A  58
 None
 1.10A 4aqlA-4ydzA:
undetectable		 4aqlA-4ydzA:
15.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4z5y COENZYME PQQ
SYNTHESIS PROTEIN B

(Pseudomonas
putida) 		PF12706
(Lactamase_B_2) 		4 HIS A 307
LEU A 257
LEU A 208
ASP A 258
 None
 1.25A 4aqlA-4z5yA:
undetectable		 4aqlA-4z5yA:
20.79
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.
4zoy SQT1

(Chaetomium
thermophilum) 		PF00400
(WD40) 		4 HIS A  74
LEU A 221
LEU A 183
ASP A 222
 None
 1.34A 4aqlA-4zoyA:
undetectable		 4aqlA-4zoyA:
21.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zxi TYROCIDINE
SYNTHETASE 3

(Acinetobacter
baumannii) 		PF00501
(AMP-binding)
PF00550
(PP-binding)
PF00668
(Condensation)
PF00975
(Thioesterase)
PF13193
(AMP-binding_C) 		4 HIS A  15
LEU A  69
LEU A 292
ASP A  65
 None
 1.30A 4aqlA-4zxiA:
undetectable		 4aqlA-4zxiA:
16.86
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.
5a3f DYNAMIN 3

(Homo sapiens) 		PF00169
(PH)
PF00350
(Dynamin_N)
PF01031
(Dynamin_M)
PF02212
(GED) 		4 HIS A 288
LEU A  16
LEU A  29
ASP A  18
 None
 1.16A 4aqlA-5a3fA:
undetectable		 4aqlA-5a3fA:
19.95
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.
5b5k IZUMO SPERM-EGG
FUSION PROTEIN 1

(Mus musculus) 		PF15005
(IZUMO)
PF16706
(Izumo-Ig) 		4 HIS A  44
LEU A  33
LEU A  91
ASP A  31
 None
None
EPE  A 302 ( 2.4A)
None
 1.08A 4aqlA-5b5kA:
undetectable		 4aqlA-5b5kA:
20.12
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.
5csa ACETYL-COA
CARBOXYLASE

(Saccharomyces
cerevisiae) 		PF00364
(Biotin_lipoyl)
PF08326
(ACC_central) 		4 HIS A 912
LEU A 850
LEU A 900
ASP A 859
 None
 0.95A 4aqlA-5csaA:
undetectable		 4aqlA-5csaA:
20.62
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.
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 912
LEU A 850
LEU A 900
ASP A 859
 None
 0.93A 4aqlA-5cslA:
2.1		 4aqlA-5cslA:
12.60
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.
5gui CHAPERONE PROTEIN
CLPC1, CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF02861
(Clp_N) 		4 HIS A 118
LEU A 149
LEU A 127
ASP A 151
 None
 1.09A 4aqlA-5guiA:
undetectable		 4aqlA-5guiA:
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.
5hss LINALOOL
DEHYDRATASE/ISOMERAS
E

(Castellaniella
defragrans) 		no annotation 4 HIS A 249
LEU A 311
LEU A 300
ASP A 313
 None
 1.28A 4aqlA-5hssA:
undetectable		 4aqlA-5hssA:
22.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hvm ALPHA,ALPHA-TREHALOS
E-PHOSPHATE SYNTHASE
(UDP-FORMING)

(Aspergillus
fumigatus) 		PF00982
(Glyco_transf_20) 		4 LEU A  14
TRP A  57
LEU A 474
ASP A 145
 None
 1.23A 4aqlA-5hvmA:
undetectable		 4aqlA-5hvmA:
21.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5i6e ACETYL-COA
CARBOXYLASE

(Saccharomyces
cerevisiae) 		PF08326
(ACC_central) 		4 HIS A 912
LEU A 850
LEU A 900
ASP A 859
 None
 1.05A 4aqlA-5i6eA:
undetectable		 4aqlA-5i6eA:
21.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jk6 PHENYLALANINE-4-HYDR
OXYLASE

(Dictyostelium
discoideum) 		PF00351
(Biopterin_H) 		4 HIS A 158
LEU A 215
LEU A 222
ASP A 217
 None
 1.19A 4aqlA-5jk6A:
undetectable		 4aqlA-5jk6A:
24.90
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.
5ktk POLYKETIDE SYNTHASE
PKSJ

(Bacillus
subtilis) 		PF08659
(KR) 		4 HIS A 158
TRP A  24
LEU A 173
ASP A 191
 None
 1.19A 4aqlA-5ktkA:
undetectable		 4aqlA-5ktkA:
23.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5l5n PLEXIN-A4

(Mus musculus) 		PF01403
(Sema)
PF01437
(PSI)
PF01833
(TIG) 		4 HIS A 490
LEU A 333
LEU A 314
ASP A 331
 HIS  A 490 ( 1.0A)
LEU  A 333 ( 0.5A)
LEU  A 314 ( 0.5A)
ASP  A 331 ( 0.5A)
 1.26A 4aqlA-5l5nA:
undetectable		 4aqlA-5l5nA:
18.56
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.
5lew DNA POLYMERASE III
SUBUNIT ALPHA

(Mycobacterium
tuberculosis) 		no annotation 4 HIS A 469
LEU A  22
LEU A 536
ASP A  23
 None
None
None
ZN  A1003 (-2.5A)
 1.12A 4aqlA-5lewA:
4.7		 4aqlA-5lewA:
20.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mov CASEIN KINASE II
SUBUNIT ALPHA

(Homo sapiens) 		PF00069
(Pkinase) 		4 HIS A 148
LEU A 305
LEU A 222
ASP A 302
 None
 1.00A 4aqlA-5movA:
undetectable		 4aqlA-5movA:
20.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5oc1 ARYL-ALCOHOL OXIDASE

(Pleurotus
eryngii) 		no annotation 4 HIS A  91
LEU A 539
LEU A 553
ASP A 102
 FAD  A 602 (-4.3A)
None
None
None
 1.24A 4aqlA-5oc1A:
undetectable		 4aqlA-5oc1A:
20.20
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.
5toa ESTROGEN RECEPTOR
BETA

(Homo sapiens) 		PF00104
(Hormone_recep) 		4 HIS A 475
LEU A 301
LEU A 339
ASP A 303
 EST  A 601 (-4.4A)
EST  A 601 ( 4.3A)
EST  A 601 (-3.9A)
None
 1.25A 4aqlA-5toaA:
undetectable		 4aqlA-5toaA:
19.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wiv D(4) DOPAMINE
RECEPTOR, SOLUBLE
CYTOCHROME B562
CHIMERA

(Escherichia
coli;
Homo sapiens) 		no annotation 4 HIS A 414
LEU A 118
LEU A  88
ASP A  80
 AQD  A1201 (-4.0A)
None
None
NA  A1224 (-3.2A)
 1.23A 4aqlA-5wivA:
undetectable		 4aqlA-5wivA:
20.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xu1 ABC TRANSPORTER
ATP-BINDING PROTEIN

(Streptococcus
pneumoniae) 		no annotation 4 HIS A 202
LEU A  50
LEU A 167
ASP A  58
 None
 1.25A 4aqlA-5xu1A:
undetectable		 4aqlA-5xu1A:
10.99
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.
5za2 BETA-LACTAMASE

(Escherichia
coli) 		no annotation 4 HIS A 255
LEU A 231
LEU A  69
ASP A 230
 None
 1.32A 4aqlA-5za2A:
undetectable		 4aqlA-5za2A:
11.94
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.
6b2q SERINE/THREONINE-PRO
TEIN KINASE PKNA

(Mycobacterium
tuberculosis) 		no annotation 4 HIS A 139
LEU A 122
LEU A 103
ASP A 120
 None
None
None
0BD  A 302 (-4.3A)
 1.30A 4aqlA-6b2qA:
undetectable		 4aqlA-6b2qA:
12.18
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.
6b3e CYCLIN-DEPENDENT
KINASE 12

(Homo sapiens) 		no annotation 4 HIS A 851
LEU A1001
LEU A 926
ASP A 998
 None
 0.97A 4aqlA-6b3eA:
undetectable		 4aqlA-6b3eA:
10.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6czx PHOSPHOSERINE
AMINOTRANSFERASE 1,
CHLOROPLASTIC

(Arabidopsis
thaliana) 		no annotation 4 HIS A 215
LEU A 293
LEU A 141
ASP A 294
 None
None
None
SO4  A 501 ( 4.3A)
 1.12A 4aqlA-6czxA:
undetectable		 4aqlA-6czxA:
10.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6f0k ACTF

(Rhodothermus
marinus) 		no annotation 4 HIS F 224
LEU F 126
LEU F 367
ASP F 125
 None
 1.13A 4aqlA-6f0kF:
undetectable		 4aqlA-6f0kF:
9.87
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.
6f74 ALCOHOL OXIDASE

(Thermothelomyces
thermophila) 		no annotation 4 HIS A 246
TRP A 493
LEU A 162
ASP A 548
 FAD  A 601 (-3.3A)
None
None
None
 1.15A 4aqlA-6f74A:
undetectable		 4aqlA-6f74A:
11.02