SIMILAR PATTERNS OF AMINO ACIDS FOR 4AQL_A_TXCA1452_1

List of similar pattern of amino acids derived from ASSAM search

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

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