SIMILAR PATTERNS OF AMINO ACIDS FOR 6N91_B_DCFB401_0

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.
1aso ASCORBATE OXIDASE

(Cucurbita pepo) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 HIS A 106
ILE A  78
SER A  79
HIS A 450
HIS A 448
 CU  A 555 (-3.3A)
None
None
CU  A 555 ( 3.2A)
CU  A 557 ( 3.2A)
 1.29A 6n91B-1asoA:
undetectable		 6n91B-1asoA:
11.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1krm ADENOSINE DEAMINASE

(Bos taurus) 		PF00962
(A_deaminase) 		5 HIS A  12
ASP A 178
LEU A  55
HIS A 235
ASP A 292
 ZN  A 501 ( 3.3A)
None
None
PRH  A 401 (-4.0A)
PRH  A 401 ( 2.5A)
 1.28A 6n91B-1krmA:
43.8		 6n91B-1krmA:
12.36
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.
1krm ADENOSINE DEAMINASE

(Bos taurus) 		PF00962
(A_deaminase) 		9 HIS A  14
ASP A  16
LEU A  55
LEU A  59
ALA A 180
HIS A 211
HIS A 235
ASP A 292
ASP A 293
 PRH  A 401 ( 3.0A)
PRH  A 401 (-3.4A)
None
PRH  A 401 (-4.5A)
PRH  A 401 ( 3.8A)
ZN  A 501 ( 3.4A)
PRH  A 401 (-4.0A)
PRH  A 401 ( 2.5A)
PRH  A 401 (-3.5A)
 0.77A 6n91B-1krmA:
43.8		 6n91B-1krmA:
12.36
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.
1krm ADENOSINE DEAMINASE

(Bos taurus) 		PF00962
(A_deaminase) 		5 HIS A  14
LEU A  55
LEU A  59
ALA A 180
ASP A 293
 PRH  A 401 ( 3.0A)
None
PRH  A 401 (-4.5A)
PRH  A 401 ( 3.8A)
PRH  A 401 (-3.5A)
 1.27A 6n91B-1krmA:
43.8		 6n91B-1krmA:
12.36
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.
1krm ADENOSINE DEAMINASE

(Bos taurus) 		PF00962
(A_deaminase) 		9 HIS A  14
LEU A  55
LEU A  59
ALA A 180
HIS A 211
GLU A 214
HIS A 235
ASP A 292
ASP A 293
 PRH  A 401 ( 3.0A)
None
PRH  A 401 (-4.5A)
PRH  A 401 ( 3.8A)
ZN  A 501 ( 3.4A)
PRH  A 401 (-2.5A)
PRH  A 401 (-4.0A)
PRH  A 401 ( 2.5A)
PRH  A 401 (-3.5A)
 0.59A 6n91B-1krmA:
43.8		 6n91B-1krmA:
12.36
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.
1krm ADENOSINE DEAMINASE

(Bos taurus) 		PF00962
(A_deaminase) 		6 HIS A  14
LEU A  59
ALA A 180
HIS A 211
ASP A 292
ASP A 293
 PRH  A 401 ( 3.0A)
PRH  A 401 (-4.5A)
PRH  A 401 ( 3.8A)
ZN  A 501 ( 3.4A)
PRH  A 401 ( 2.5A)
PRH  A 401 (-3.5A)
 1.17A 6n91B-1krmA:
43.8		 6n91B-1krmA:
12.36
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.
1o12 N-ACETYLGLUCOSAMINE-
6-PHOSPHATE
DEACETYLASE

(Thermotoga
maritima) 		PF01979
(Amidohydro_1) 		5 HIS A 197
SER A 173
HIS A 176
HIS A 127
ASP A 255
 FE  A 401 (-3.5A)
None
FE  A 401 (-3.3A)
FE  A 401 ( 4.8A)
None
 1.25A 6n91B-1o12A:
13.8		 6n91B-1o12A:
11.70
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.
1p1m HYPOTHETICAL PROTEIN
TM0936

(Thermotoga
maritima) 		PF01979
(Amidohydro_1) 		5 HIS A  57
LEU A  76
HIS A 200
GLU A 203
ASP A 279
 NI  A9001 (-3.3A)
None
NI  A9001 (-3.4A)
None
NI  A9001 (-2.6A)
 0.87A 6n91B-1p1mA:
22.0		 6n91B-1p1mA:
11.08
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.
1uio ADENOSINE DEAMINASE

(Mus musculus) 		PF00962
(A_deaminase) 		9 HIS A  17
ASP A  19
LEU A  58
LEU A  62
ALA A 183
HIS A 214
GLU A 217
ASP A 295
ASP A 296
 HPR  A 353 ( 3.1A)
HPR  A 353 (-2.7A)
None
HPR  A 353 (-4.5A)
HPR  A 353 (-3.2A)
ZN  A 400 ( 3.3A)
HPR  A 353 (-2.7A)
HPR  A 353 ( 2.5A)
HPR  A 353 (-2.6A)
 0.58A 6n91B-1uioA:
45.3		 6n91B-1uioA:
11.46
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.
1uio ADENOSINE DEAMINASE

(Mus musculus) 		PF00962
(A_deaminase) 		6 HIS A  17
LEU A  58
LEU A  62
ALA A 183
GLU A 217
ASP A 296
 HPR  A 353 ( 3.1A)
None
HPR  A 353 (-4.5A)
HPR  A 353 (-3.2A)
HPR  A 353 (-2.7A)
HPR  A 353 (-2.6A)
 1.12A 6n91B-1uioA:
45.3		 6n91B-1uioA:
11.46
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.
1uio ADENOSINE DEAMINASE

(Mus musculus) 		PF00962
(A_deaminase) 		5 HIS A 214
LEU A  62
LEU A  58
SER A 265
HIS A  17
 ZN  A 400 ( 3.3A)
HPR  A 353 (-4.5A)
None
HPR  A 353 ( 4.8A)
HPR  A 353 ( 3.1A)
 1.19A 6n91B-1uioA:
45.3		 6n91B-1uioA:
11.46
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.
1uio ADENOSINE DEAMINASE

(Mus musculus) 		PF00962
(A_deaminase) 		5 LEU A  58
ALA A 183
HIS A 214
HIS A  15
ASP A 295
 None
HPR  A 353 (-3.2A)
ZN  A 400 ( 3.3A)
ZN  A 400 (-3.4A)
HPR  A 353 ( 2.5A)
 1.30A 6n91B-1uioA:
45.3		 6n91B-1uioA:
11.46
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.
1wr8 PHOSPHOGLYCOLATE
PHOSPHATASE

(Pyrococcus
horikoshii) 		PF08282
(Hydrolase_3) 		5 LEU A 201
ILE A 158
ALA A 184
HIS A 174
ASP A   9
 None
 1.26A 6n91B-1wr8A:
undetectable		 6n91B-1wr8A:
20.73
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.
1zef ALKALINE PHOSPHATASE

(Homo sapiens) 		PF00245
(Alk_phosphatase) 		5 ASP A 273
LEU A  40
ALA A 154
HIS A 358
ASP A 316
 None
None
SEP  A  92 ( 3.7A)
ZN  A 902 (-3.2A)
ZN  A 901 ( 1.9A)
 1.27A 6n91B-1zefA:
undetectable		 6n91B-1zefA:
10.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2a3l AMP DEAMINASE

(Arabidopsis
thaliana) 		PF00962
(A_deaminase) 		6 HIS A 393
HIS A 659
GLU A 662
HIS A 681
ASP A 736
ASP A 737
 ZN  A 840 ( 3.2A)
ZN  A 840 ( 3.1A)
CF5  A 841 (-2.6A)
CF5  A 841 (-4.2A)
CF5  A 841 ( 2.5A)
CF5  A 841 (-2.5A)
 0.64A 6n91B-2a3lA:
20.8		 6n91B-2a3lA:
7.94
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) 		8 HIS A  57
ASP A  59
ILE A 183
HIS A 239
GLU A 242
HIS A 266
ASP A 323
ASP A 324
 CO  A1000 (-3.2A)
None
None
CO  A1000 (-3.4A)
UNX  A2004 ( 4.8A)
None
CO  A1000 (-2.7A)
None
 0.29A 6n91B-2amxA:
40.0		 6n91B-2amxA:
11.80
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.
2cbn RIBONUCLEASE Z

(Escherichia
coli) 		PF12706
(Lactamase_B_2) 		5 HIS A 248
SER A 272
ALA A  10
HIS A 270
HIS A  69
 None
None
None
ZN  A 402 (-3.3A)
ZN  A 402 (-3.3A)
 1.25A 6n91B-2cbnA:
undetectable		 6n91B-2cbnA:
16.04
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.
2eaq LIM DOMAIN ONLY
PROTEIN 7

(Homo sapiens) 		PF00595
(PDZ) 		5 ILE A1045
SER A1080
ALA A1077
GLU A1072
ASP A1054
 None
 1.22A 6n91B-2eaqA:
undetectable		 6n91B-2eaqA:
20.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2i9u CYTOSINE/GUANINE
DEAMINASE RELATED
PROTEIN

(Clostridium
acetobutylicum) 		PF01979
(Amidohydro_1) 		7 HIS A  75
LEU A  90
LEU A  94
HIS A 229
GLU A 232
HIS A 269
ASP A 320
 FE  A 501 ( 3.6A)
GUN  A 503 (-4.9A)
GUN  A 503 (-4.4A)
GUN  A 503 ( 3.5A)
GUN  A 503 (-3.1A)
GUN  A 503 ( 4.4A)
FE  A 501 ( 2.7A)
 0.80A 6n91B-2i9uA:
22.4		 6n91B-2i9uA:
10.90
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.
2i9u CYTOSINE/GUANINE
DEAMINASE RELATED
PROTEIN

(Clostridium
acetobutylicum) 		PF01979
(Amidohydro_1) 		5 HIS A 269
LEU A  94
LEU A  90
ALA A 323
HIS A  75
 GUN  A 503 ( 4.4A)
GUN  A 503 (-4.4A)
GUN  A 503 (-4.9A)
GUN  A 503 ( 4.1A)
FE  A 501 ( 3.6A)
 1.23A 6n91B-2i9uA:
22.4		 6n91B-2i9uA:
10.90
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.
2i9u CYTOSINE/GUANINE
DEAMINASE RELATED
PROTEIN

(Clostridium
acetobutylicum) 		PF01979
(Amidohydro_1) 		6 LEU A  90
LEU A  94
SER A 206
HIS A 229
GLU A 232
HIS A 269
 GUN  A 503 (-4.9A)
GUN  A 503 (-4.4A)
None
GUN  A 503 ( 3.5A)
GUN  A 503 (-3.1A)
GUN  A 503 ( 4.4A)
 1.02A 6n91B-2i9uA:
22.4		 6n91B-2i9uA:
10.90
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.
2imr HYPOTHETICAL PROTEIN
DR_0824

(Deinococcus
radiodurans) 		PF01979
(Amidohydro_1) 		5 HIS A  99
LEU A 110
HIS A 238
HIS A 301
ASP A 352
 ZN  A 500 (-3.2A)
None
ZN  A 500 (-3.2A)
None
ZN  A 500 (-3.9A)
 1.05A 6n91B-2imrA:
19.0		 6n91B-2imrA:
12.95
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.
2ixd LMBE-RELATED PROTEIN

(Bacillus cereus) 		PF02585
(PIG-L) 		5 LEU A 190
HIS A 110
HIS A 113
ASP A  15
ASP A  14
 ACT  A1235 (-4.2A)
ACT  A1235 ( 4.6A)
ZN  A1234 ( 3.2A)
ZN  A1234 ( 2.1A)
ACT  A1235 (-2.8A)
 1.04A 6n91B-2ixdA:
undetectable		 6n91B-2ixdA:
14.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ixd LMBE-RELATED PROTEIN

(Bacillus cereus) 		PF02585
(PIG-L) 		5 LEU A 190
SER A  46
HIS A 113
ASP A  15
ASP A  14
 ACT  A1235 (-4.2A)
None
ZN  A1234 ( 3.2A)
ZN  A1234 ( 2.1A)
ACT  A1235 (-2.8A)
 1.30A 6n91B-2ixdA:
undetectable		 6n91B-2ixdA:
14.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2kbx INTEGRIN-LINKED
PROTEIN KINASE

(Homo sapiens) 		PF12796
(Ank_2) 		5 ASP A  68
LEU A 119
SER A  76
ALA A  74
ASP A  92
 None
 1.07A 6n91B-2kbxA:
undetectable		 6n91B-2kbxA:
20.25
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.
2ood BLR3880 PROTEIN

(Bradyrhizobium
diazoefficiens) 		PF01979
(Amidohydro_1) 		7 HIS A  81
LEU A  95
LEU A  99
HIS A 234
GLU A 237
HIS A 273
ASP A 326
 ZN  A 500 ( 3.3A)
GUN  A 600 (-3.1A)
GUN  A 600 (-4.2A)
GUN  A 600 ( 2.8A)
GUN  A 600 (-2.8A)
GUN  A 600 (-3.9A)
GUN  A 600 ( 2.5A)
 0.76A 6n91B-2oodA:
22.0		 6n91B-2oodA:
12.01
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.
2p50 N-ACETYLGLUCOSAMINE-
6-PHOSPHATE
DEACETYLASE

(Escherichia
coli) 		PF01979
(Amidohydro_1) 		5 HIS A 216
SER A 192
HIS A 195
HIS A 143
ASP A 273
 ZN  A 601 (-3.4A)
None
ZN  A 601 (-3.3A)
None
ZN  A 601 ( 4.5A)
 1.21A 6n91B-2p50A:
16.0		 6n91B-2p50A:
13.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qo3 ERYAII ERYTHROMYCIN
POLYKETIDE SYNTHASE
MODULES 3 AND 4

(Saccharopolyspora
erythraea) 		PF00109
(ketoacyl-synt)
PF00698
(Acyl_transf_1)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		5 LEU A 352
LEU A 366
ILE A 452
ALA A 438
HIS A 450
 None
 1.30A 6n91B-2qo3A:
undetectable		 6n91B-2qo3A:
7.55
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.
2qt3 N-ISOPROPYLAMMELIDE
ISOPROPYL
AMIDOHYDROLASE

(Pseudomonas sp.
ADP) 		PF01979
(Amidohydro_1) 		5 HIS A  62
ASP A  64
HIS A 217
HIS A 249
ASP A 303
 ZN  A 501 (-3.3A)
None
ZN  A 501 (-3.5A)
None
ZN  A 501 (-3.2A)
 0.65A 6n91B-2qt3A:
23.7		 6n91B-2qt3A:
11.11
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.
2vhl N-ACETYLGLUCOSAMINE-
6-PHOSPHATE
DEACETYLASE

(Bacillus
subtilis) 		PF01979
(Amidohydro_1) 		5 HIS A  65
ASP A  71
ILE A 100
HIS A 223
ASP A 281
 FE  A1397 (-3.3A)
None
None
FE  A1398 (-3.3A)
FE  A1397 ( 2.7A)
 1.23A 6n91B-2vhlA:
14.2		 6n91B-2vhlA:
13.44
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.
2xk9 CHECKPOINT KINASE 2

(Homo sapiens) 		PF00069
(Pkinase) 		5 LEU A 413
LEU A 348
ILE A 285
ALA A 334
HIS A 339
 None
 1.24A 6n91B-2xk9A:
undetectable		 6n91B-2xk9A:
13.73
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.
2zkt 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Pyrococcus
horikoshii) 		PF01676
(Metalloenzyme)
PF10143
(PhosphMutase) 		5 HIS A 347
LEU A 254
HIS A  64
ASP A  13
ASP A 305
 ZN  A 414 (-3.5A)
None
None
ZN  A 414 (-2.2A)
ZN  A 415 (-2.3A)
 1.22A 6n91B-2zktA:
undetectable		 6n91B-2zktA:
11.65
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.
3abg BILIRUBIN OXIDASE

(Albifimbria
verrucaria) 		PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 HIS A  96
LEU A 460
ALA A 274
GLU A 463
HIS A 456
 CU  A 702 ( 3.2A)
None
CU  A 702 ( 4.7A)
CU  A 701 ( 4.6A)
CU  A 701 (-3.3A)
 1.14A 6n91B-3abgA:
undetectable		 6n91B-3abgA:
10.94
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.
3dkh LACCASE-1

(Melanocarpus
albomyces) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 HIS A 502
SER A 557
ALA A 559
HIS A 140
HIS A 138
 CU  A 602 ( 3.2A)
None
None
CU  A 602 ( 3.3A)
CU  A 603 ( 3.3A)
 1.14A 6n91B-3dkhA:
undetectable		 6n91B-3dkhA:
9.66
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.
3e0l GUANINE DEAMINASE

(Homo sapiens) 		PF01979
(Amidohydro_1) 		5 HIS A  84
HIS A 238
GLU A 241
HIS A 277
ASP A 328
 ZN  A1452 (-3.1A)
ZN  A1452 (-3.2A)
None
None
ZN  A1452 (-2.8A)
 0.37A 6n91B-3e0lA:
22.8		 6n91B-3e0lA:
13.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3egj N-ACETYLGLUCOSAMINE-
6-PHOSPHATE
DEACETYLASE

(Vibrio cholerae) 		PF01979
(Amidohydro_1) 		5 HIS A 213
SER A 189
HIS A 192
HIS A 140
ASP A 270
 NI  A 401 (-3.7A)
None
NI  A 401 (-3.4A)
NI  A 401 (-4.4A)
NI  A 401 ( 4.8A)
 1.23A 6n91B-3egjA:
16.0		 6n91B-3egjA:
12.77
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.
3ewd ADENOSINE DEAMINASE

(Plasmodium
vivax) 		PF00962
(A_deaminase) 		9 HIS A  44
ASP A  46
LEU A  85
ILE A 170
HIS A 225
GLU A 228
HIS A 252
ASP A 309
ASP A 310
 MCF  A 372 ( 3.3A)
MCF  A 372 (-3.5A)
MCF  A 372 (-4.7A)
None
ZN  A 371 ( 3.4A)
MCF  A 372 (-2.8A)
MCF  A 372 (-4.1A)
MCF  A 372 ( 2.4A)
MCF  A 372 (-2.9A)
 0.36A 6n91B-3ewdA:
42.4		 6n91B-3ewdA:
13.33
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.
3ewd ADENOSINE DEAMINASE

(Plasmodium
vivax) 		PF00962
(A_deaminase) 		5 HIS A  44
ASP A  46
LEU A 283
GLU A 228
HIS A 252
 MCF  A 372 ( 3.3A)
MCF  A 372 (-3.5A)
None
MCF  A 372 (-2.8A)
MCF  A 372 (-4.1A)
 1.07A 6n91B-3ewdA:
42.4		 6n91B-3ewdA:
13.33
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.
3ewd ADENOSINE DEAMINASE

(Plasmodium
vivax) 		PF00962
(A_deaminase) 		5 HIS A  44
LEU A  85
ILE A 170
GLU A 228
ASP A 310
 MCF  A 372 ( 3.3A)
MCF  A 372 (-4.7A)
None
MCF  A 372 (-2.8A)
MCF  A 372 (-2.9A)
 1.05A 6n91B-3ewdA:
42.4		 6n91B-3ewdA:
13.33
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.
3ewd ADENOSINE DEAMINASE

(Plasmodium
vivax) 		PF00962
(A_deaminase) 		6 ILE A 170
SER A 129
HIS A 225
HIS A 252
ASP A 309
ASP A 310
 None
MCF  A 372 ( 4.6A)
ZN  A 371 ( 3.4A)
MCF  A 372 (-4.1A)
MCF  A 372 ( 2.4A)
MCF  A 372 (-2.9A)
 1.49A 6n91B-3ewdA:
42.4		 6n91B-3ewdA:
13.33
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.
3g77 CYTOSINE DEAMINASE

(Escherichia
coli) 		PF07969
(Amidohydro_3) 		7 HIS A  63
ASP A  65
LEU A  81
HIS A 214
GLU A 217
HIS A 246
ASP A 313
 FE  A 502 (-3.1A)
None
None
FE  A 502 (-3.6A)
None
FE  A 502 ( 4.8A)
FE  A 502 (-3.2A)
 0.55A 6n91B-3g77A:
24.4		 6n91B-3g77A:
11.44
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.
3hpa AMIDOHYDROLASE

(unidentified) 		PF01979
(Amidohydro_1) 		5 HIS A  95
HIS A 259
GLU A 262
HIS A 296
ASP A 347
 ZN  A 480 (-3.3A)
ZN  A 480 (-3.5A)
None
ZN  A 480 ( 4.8A)
ZN  A 480 (-3.2A)
 0.85A 6n91B-3hpaA:
23.2		 6n91B-3hpaA:
10.27
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.
3hpa AMIDOHYDROLASE

(unidentified) 		PF01979
(Amidohydro_1) 		5 HIS A  95
LEU A 112
HIS A 259
HIS A 296
ASP A 347
 ZN  A 480 (-3.3A)
None
ZN  A 480 (-3.5A)
ZN  A 480 ( 4.8A)
ZN  A 480 (-3.2A)
 0.61A 6n91B-3hpaA:
23.2		 6n91B-3hpaA:
10.27
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.
3i6u SERINE/THREONINE-PRO
TEIN KINASE CHK2

(Homo sapiens) 		PF00069
(Pkinase)
PF00498
(FHA) 		5 LEU A 413
LEU A 348
ILE A 285
ALA A 334
HIS A 339
 None
 1.27A 6n91B-3i6uA:
undetectable		 6n91B-3i6uA:
11.62
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.
3icj UNCHARACTERIZED
METAL-DEPENDENT
HYDROLASE

(Pyrococcus
furiosus) 		PF07969
(Amidohydro_3) 		5 HIS A 101
ASP A 103
SER A 268
HIS A 371
ASP A 432
 ZN  A 601 (-3.5A)
None
None
ZN  A 602 (-3.5A)
ZN  A 601 (-2.6A)
 1.03A 6n91B-3icjA:
18.2		 6n91B-3icjA:
10.69
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.
3kg7 CURH

(Lyngbya
majuscula) 		PF14765
(PS-DH) 		5 LEU A 942
LEU A 941
ILE A1135
SER A 983
ALA A 986
 None
 1.27A 6n91B-3kg7A:
undetectable		 6n91B-3kg7A:
18.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lgg ADENOSINE DEAMINASE
CECR1

(Homo sapiens) 		PF00962
(A_deaminase)
PF08451
(A_deaminase_N) 		8 HIS A  88
ASP A  89
SER A 265
HIS A 330
GLU A 333
HIS A 358
ASP A 415
ASP A 416
 CFE  A 513 ( 3.3A)
CFE  A 513 (-3.0A)
None
ZN  A 512 ( 3.5A)
CFE  A 513 (-3.0A)
CFE  A 513 ( 4.3A)
CFE  A 513 ( 2.8A)
CFE  A 513 (-2.8A)
 1.21A 6n91B-3lggA:
32.2		 6n91B-3lggA:
12.42
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.
3lnp AMIDOHYDROLASE
FAMILY PROTEIN
OLEI01672_1_465

(Oleispira
antarctica) 		PF01979
(Amidohydro_1) 		5 HIS A  90
HIS A 243
GLU A 246
HIS A 280
ASP A 331
 CA  A 471 (-3.6A)
CA  A 471 (-4.7A)
None
None
CA  A 471 (-2.7A)
 0.79A 6n91B-3lnpA:
21.3		 6n91B-3lnpA:
10.52
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.
3lnp AMIDOHYDROLASE
FAMILY PROTEIN
OLEI01672_1_465

(Oleispira
antarctica) 		PF01979
(Amidohydro_1) 		5 LEU A 106
HIS A 243
GLU A 246
HIS A 280
ASP A 331
 None
CA  A 471 (-4.7A)
None
None
CA  A 471 (-2.7A)
 1.19A 6n91B-3lnpA:
21.3		 6n91B-3lnpA:
10.52
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.
3mdu N-FORMIMINO-L-GLUTAM
ATE IMINOHYDROLASE

(Pseudomonas
aeruginosa) 		PF01979
(Amidohydro_1) 		5 HIS A  58
HIS A 232
GLU A 235
HIS A 269
ASP A 320
 ZN  A 454 ( 3.2A)
ZN  A 454 (-3.3A)
NGQ  A 455 (-2.9A)
None
ZN  A 454 (-2.9A)
 0.30A 6n91B-3mduA:
21.2		 6n91B-3mduA:
10.85
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.
3mdu N-FORMIMINO-L-GLUTAM
ATE IMINOHYDROLASE

(Pseudomonas
aeruginosa) 		PF01979
(Amidohydro_1) 		5 HIS A  58
LEU A 298
HIS A 232
GLU A 235
HIS A 269
 ZN  A 454 ( 3.2A)
NGQ  A 455 (-4.7A)
ZN  A 454 (-3.3A)
NGQ  A 455 (-2.9A)
None
 1.24A 6n91B-3mduA:
21.2		 6n91B-3mduA:
10.85
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.
3pao ADENOSINE DEAMINASE

(Pseudomonas
aeruginosa) 		PF00962
(A_deaminase) 		5 HIS A  18
ASP A 100
LEU A  60
HIS A 220
ASP A 277
 ADE  A 328 ( 3.0A)
None
ADE  A 328 (-4.9A)
ADE  A 328 ( 4.2A)
ZN  A 327 ( 2.6A)
 1.24A 6n91B-3paoA:
42.0		 6n91B-3paoA:
15.36
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.
3pao ADENOSINE DEAMINASE

(Pseudomonas
aeruginosa) 		PF00962
(A_deaminase) 		5 HIS A  18
LEU A  56
HIS A 196
ASP A 277
ASP A 278
 ADE  A 328 ( 3.0A)
ADE  A 328 (-4.6A)
ZN  A 327 ( 3.5A)
ZN  A 327 ( 2.6A)
ADE  A 328 (-2.8A)
 0.94A 6n91B-3paoA:
42.0		 6n91B-3paoA:
15.36
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.
3pao ADENOSINE DEAMINASE

(Pseudomonas
aeruginosa) 		PF00962
(A_deaminase) 		5 HIS A  18
LEU A  56
LEU A  60
GLU A 199
ASP A 278
 ADE  A 328 ( 3.0A)
ADE  A 328 (-4.6A)
ADE  A 328 (-4.9A)
ADE  A 328 (-3.0A)
ADE  A 328 (-2.8A)
 1.20A 6n91B-3paoA:
42.0		 6n91B-3paoA:
15.36
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.
3pao ADENOSINE DEAMINASE

(Pseudomonas
aeruginosa) 		PF00962
(A_deaminase) 		8 HIS A  18
LEU A  56
LEU A  60
HIS A 196
GLU A 199
HIS A 220
ASP A 277
ASP A 278
 ADE  A 328 ( 3.0A)
ADE  A 328 (-4.6A)
ADE  A 328 (-4.9A)
ZN  A 327 ( 3.5A)
ADE  A 328 (-3.0A)
ADE  A 328 ( 4.2A)
ZN  A 327 ( 2.6A)
ADE  A 328 (-2.8A)
 0.63A 6n91B-3paoA:
42.0		 6n91B-3paoA:
15.36
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.
3pao ADENOSINE DEAMINASE

(Pseudomonas
aeruginosa) 		PF00962
(A_deaminase) 		5 HIS A 196
LEU A  60
LEU A  56
SER A 247
HIS A  18
 ZN  A 327 ( 3.5A)
ADE  A 328 (-4.9A)
ADE  A 328 (-4.6A)
ADE  A 328 ( 4.5A)
ADE  A 328 ( 3.0A)
 1.06A 6n91B-3paoA:
42.0		 6n91B-3paoA:
15.36
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.
3qd2 EUKARYOTIC
TRANSLATION
INITIATION FACTOR
2-ALPHA KINASE 3

(Mus musculus) 		PF00069
(Pkinase) 		5 LEU B1008
LEU B 936
ILE B 647
ALA B 922
HIS B 927
 None
 1.30A 6n91B-3qd2B:
undetectable		 6n91B-3qd2B:
12.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rys ADENOSINE DEAMINASE
1

(Paenarthrobacter
aurescens) 		PF00962
(A_deaminase) 		5 HIS A  21
LEU A  59
HIS A 199
ASP A 280
ASP A 281
 ADE  A 345 ( 3.2A)
ADE  A 345 (-4.5A)
ZN  A 344 ( 3.4A)
ZN  A 344 ( 2.5A)
ADE  A 345 (-2.8A)
 0.89A 6n91B-3rysA:
42.8		 6n91B-3rysA:
13.12
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.
3rys ADENOSINE DEAMINASE
1

(Paenarthrobacter
aurescens) 		PF00962
(A_deaminase) 		5 HIS A  21
LEU A  59
LEU A  63
GLU A 202
ASP A 281
 ADE  A 345 ( 3.2A)
ADE  A 345 (-4.5A)
None
ADE  A 345 (-2.8A)
ADE  A 345 (-2.8A)
 1.20A 6n91B-3rysA:
42.8		 6n91B-3rysA:
13.12
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.
3rys ADENOSINE DEAMINASE
1

(Paenarthrobacter
aurescens) 		PF00962
(A_deaminase) 		8 HIS A  21
LEU A  59
LEU A  63
HIS A 199
GLU A 202
HIS A 223
ASP A 280
ASP A 281
 ADE  A 345 ( 3.2A)
ADE  A 345 (-4.5A)
None
ZN  A 344 ( 3.4A)
ADE  A 345 (-2.8A)
ADE  A 345 ( 4.2A)
ZN  A 344 ( 2.5A)
ADE  A 345 (-2.8A)
 0.63A 6n91B-3rysA:
42.8		 6n91B-3rysA:
13.12
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.
3rys ADENOSINE DEAMINASE
1

(Paenarthrobacter
aurescens) 		PF00962
(A_deaminase) 		5 HIS A 199
LEU A  63
LEU A  59
SER A 250
HIS A  21
 ZN  A 344 ( 3.4A)
None
ADE  A 345 (-4.5A)
ADE  A 345 ( 4.2A)
ADE  A 345 ( 3.2A)
 1.06A 6n91B-3rysA:
42.8		 6n91B-3rysA:
13.12
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.
3t8l ADENINE DEAMINASE 2

(Agrobacterium
fabrum) 		PF01979
(Amidohydro_1)
PF13382
(Adenine_deam_C) 		5 HIS A  94
GLU A 240
HIS A 239
ASP A 289
ASP A 290
 UNX  A 608 ( 3.4A)
UNX  A 606 ( 3.0A)
UNX  A 606 ( 3.6A)
UNX  A 608 ( 2.4A)
None
 1.07A 6n91B-3t8lA:
16.1		 6n91B-3t8lA:
8.98
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.
3tgl TRIACYL-GLYCEROL
ACYLHYDROLASE

(Rhizomucor
miehei) 		PF01764
(Lipase_3) 		5 HIS A 257
ILE A  85
SER A  82
HIS A 143
ASP A 203
 None
 1.14A 6n91B-3tglA:
2.6		 6n91B-3tglA:
14.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3v7p AMIDOHYDROLASE
FAMILY PROTEIN

(Nitratiruptor
sp. SB155-2) 		PF01979
(Amidohydro_1) 		5 HIS A  63
HIS A 206
GLU A 209
HIS A 257
ASP A 306
 FE  A 429 (-3.2A)
FE  A 429 (-3.3A)
UNL  A 436 ( 2.8A)
None
FE  A 429 (-3.1A)
 0.36A 6n91B-3v7pA:
20.0		 6n91B-3v7pA:
11.58
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.
3vb0 GLYOXALASE/BLEOMYCIN
RESISTANCE
PROTEIN/DIOXYGENASE

(Sphingomonas
wittichii) 		PF00903
(Glyoxalase) 		5 ASP A 154
LEU A 195
SER A 160
HIS A 115
ASP A 111
 None
 1.25A 6n91B-3vb0A:
undetectable		 6n91B-3vb0A:
12.97
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.
3w5v FERREDOXIN

(Zea mays) 		PF00175
(NAD_binding_1)
PF00970
(FAD_binding_6) 		5 HIS A 189
ILE A 102
SER A 108
ALA A 101
ASP A 191
 None
 1.15A 6n91B-3w5vA:
undetectable		 6n91B-3w5vA:
13.38
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.
4a01 PROTON
PYROPHOSPHATASE

(Vigna radiata) 		PF03030
(H_PPase) 		5 LEU A 490
ILE A 741
SER A 552
ALA A 548
ASP A 294
 None
 1.04A 6n91B-4a01A:
undetectable		 6n91B-4a01A:
7.88
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.
4a01 PROTON
PYROPHOSPHATASE

(Vigna radiata) 		PF03030
(H_PPase) 		5 LEU A 490
ILE A 741
SER A 552
ALA A 548
ASP A 294
 None
 1.08A 6n91B-4a01A:
undetectable		 6n91B-4a01A:
7.88
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.
4dzh AMIDOHYDROLASE

(Xanthomonas
campestris) 		PF01979
(Amidohydro_1) 		5 HIS A  80
HIS A 227
GLU A 230
HIS A 264
ASP A 315
 ZN  A 504 (-3.1A)
ZN  A 504 (-3.3A)
ZN  A 505 ( 4.2A)
ZN  A 505 ( 4.8A)
ZN  A 505 ( 2.0A)
 0.36A 6n91B-4dzhA:
21.6		 6n91B-4dzhA:
11.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4f0l AMIDOHYDROLASE

(Brucella
abortus) 		PF01979
(Amidohydro_1) 		5 HIS A  63
HIS A 237
GLU A 240
HIS A 274
ASP A 325
 FE  A 501 (-3.4A)
FE  A 501 (-3.5A)
None
None
FE  A 501 (-2.8A)
 0.37A 6n91B-4f0lA:
20.7		 6n91B-4f0lA:
10.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4f0l AMIDOHYDROLASE

(Brucella
abortus) 		PF01979
(Amidohydro_1) 		5 HIS A  63
LEU A 303
HIS A 237
GLU A 240
HIS A 274
 FE  A 501 (-3.4A)
None
FE  A 501 (-3.5A)
None
None
 1.27A 6n91B-4f0lA:
20.7		 6n91B-4f0lA:
10.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4f0s 5-METHYLTHIOADENOSIN
E/S-ADENOSYLHOMOCYST
EINE DEAMINASE

(Chromobacterium
violaceum) 		PF01979
(Amidohydro_1) 		7 HIS A  72
LEU A  87
LEU A  91
HIS A 219
GLU A 222
HIS A 256
ASP A 307
 NOS  A 501 (-3.7A)
NOS  A 501 (-4.8A)
NOS  A 501 ( 4.8A)
NOS  A 501 (-3.5A)
NOS  A 501 (-3.0A)
NOS  A 501 (-4.0A)
NOS  A 501 (-2.8A)
 0.76A 6n91B-4f0sA:
22.9		 6n91B-4f0sA:
14.41
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.
4f0s 5-METHYLTHIOADENOSIN
E/S-ADENOSYLHOMOCYST
EINE DEAMINASE

(Chromobacterium
violaceum) 		PF01979
(Amidohydro_1) 		5 LEU A  87
LEU A  91
ALA A 193
GLU A 222
HIS A 256
 NOS  A 501 (-4.8A)
NOS  A 501 ( 4.8A)
None
NOS  A 501 (-3.0A)
NOS  A 501 (-4.0A)
 0.91A 6n91B-4f0sA:
22.9		 6n91B-4f0sA:
14.41
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.
4gxw ADENOSINE DEAMINASE

(Burkholderia
ambifaria) 		PF00962
(A_deaminase) 		7 HIS A  36
LEU A  76
HIS A 215
GLU A 218
HIS A 240
ASP A 300
ASP A 301
 ZN  A 401 (-3.3A)
None
ZN  A 401 (-3.4A)
None
None
ZN  A 401 (-2.6A)
None
 0.48A 6n91B-4gxwA:
40.5		 6n91B-4gxwA:
11.08
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.
4hjw URACIL-5-CARBOXYLATE
DECARBOXYLASE

(Metarhizium
anisopliae) 		PF04909
(Amidohydro_2) 		5 HIS A  14
ILE A 163
HIS A 195
HIS A 251
ASP A 323
 ZN  A 401 (-3.5A)
None
ZN  A 401 (-3.5A)
None
ZN  A 401 (-2.8A)
 1.25A 6n91B-4hjwA:
7.3		 6n91B-4hjwA:
12.70
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.
4j35 PHOSPHOTRIESTERASE,
PUTATIVE

(Deinococcus
radiodurans) 		PF02126
(PTE) 		5 HIS A 204
SER A 146
HIS A  23
ASP A 264
ASP A 227
 CO  A 401 (-3.2A)
None
CO  A 402 (-3.2A)
CO  A 402 (-2.7A)
None
 1.16A 6n91B-4j35A:
14.5		 6n91B-4j35A:
14.73
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.
4lan URACIL-5-CARBOXYLATE
DECARBOXYLASE

(Cordyceps
militaris) 		PF04909
(Amidohydro_2) 		5 HIS A  14
ILE A 163
ALA A 195
HIS A 251
ASP A 323
 ZN  A 401 (-4.0A)
None
ZN  A 401 ( 4.7A)
None
ZN  A 401 (-3.4A)
 0.94A 6n91B-4lanA:
7.8		 6n91B-4lanA:
12.27
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.
4mrq PHOSPHOMANNOMUTASE/P
HOSPHOGLUCOMUTASE

(Pseudomonas
aeruginosa) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I)
PF02879
(PGM_PMM_II)
PF02880
(PGM_PMM_III) 		5 ASP A  18
SER A 309
HIS A 329
ASP A 242
ASP A 244
 TLA  A 502 ( 4.8A)
None
TLA  A 502 (-4.0A)
ZN  A 501 ( 2.3A)
ZN  A 501 ( 2.5A)
 1.26A 6n91B-4mrqA:
undetectable		 6n91B-4mrqA:
9.91
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.
4n0n REPLICASE
POLYPROTEIN 1AB

(Equine
arteritis virus) 		PF01443
(Viral_helicase1) 		5 LEU A 304
LEU A 399
ILE A 349
ALA A 378
ASP A 390
 None
 1.19A 6n91B-4n0nA:
undetectable		 6n91B-4n0nA:
11.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4q7a N-ACETYL-ORNITHINE/N
-ACETYL-LYSINE
DEACETYLASE

(Sphaerobacter
thermophilus) 		PF01546
(Peptidase_M20) 		5 HIS A 329
GLU A 126
HIS A  71
ASP A  95
ASP A 328
 None
None
None
None
SO4  A 401 ( 4.6A)
 1.24A 6n91B-4q7aA:
undetectable		 6n91B-4q7aA:
14.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4r85 CYTOSINE DEAMINASE

(Klebsiella
pneumoniae) 		PF07969
(Amidohydro_3) 		7 HIS A  58
ASP A  60
LEU A  76
HIS A 209
GLU A 212
HIS A 241
ASP A 308
 FE2  A 502 ( 3.5A)
None
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)
 0.67A 6n91B-4r85A:
24.1		 6n91B-4r85A:
13.81
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.
4rfv BIFUNCTIONAL ENZYME
CYSN/CYSC

(Mycobacterium
tuberculosis) 		PF01583
(APS_kinase) 		5 LEU A 504
ILE A 523
SER A 524
ASP A 480
ASP A 478
 None
 1.26A 6n91B-4rfvA:
2.3		 6n91B-4rfvA:
17.30
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.
4v1y ATRAZINE
CHLOROHYDROLASE

(Pseudomonas sp.
ADP) 		PF01979
(Amidohydro_1) 		5 HIS A  68
HIS A 243
GLU A 246
HIS A 276
ASP A 327
 FE  A 481 (-3.9A)
FE  A 481 (-4.1A)
FE  A 481 ( 4.3A)
FE  A 481 (-3.9A)
FE  A 481 (-2.8A)
 0.66A 6n91B-4v1yA:
22.8		 6n91B-4v1yA:
10.88
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.
4v1y ATRAZINE
CHLOROHYDROLASE

(Pseudomonas sp.
ADP) 		PF01979
(Amidohydro_1) 		5 HIS A  68
LEU A  88
HIS A 243
GLU A 246
HIS A 276
 FE  A 481 (-3.9A)
None
FE  A 481 (-4.1A)
FE  A 481 ( 4.3A)
FE  A 481 (-3.9A)
 0.81A 6n91B-4v1yA:
22.8		 6n91B-4v1yA:
10.88
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.
5aor DOSAGE COMPENSATION
REGULATOR

(Drosophila
melanogaster) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF04408
(HA2)
PF07717
(OB_NTP_bind) 		5 LEU A1004
LEU A1008
ILE A 864
SER A 892
ALA A 888
 None
None
None
GOL  A2163 ( 4.7A)
None
 1.20A 6n91B-5aorA:
undetectable		 6n91B-5aorA:
5.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5d88 PREDICTED PROTEASE
OF THE COLLAGENASE
FAMILY

(Methanopyrus
kandleri) 		PF01136
(Peptidase_U32) 		5 LEU A   7
LEU A  37
ILE A 173
HIS A 121
ASP A  65
 None
None
ACT  A 302 (-3.8A)
ACT  A 302 (-3.9A)
None
 1.29A 6n91B-5d88A:
3.5		 6n91B-5d88A:
19.58
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.
5es1 MAP/MICROTUBULE
AFFINITY-REGULATING
KINASE 4

(Homo sapiens) 		PF00069
(Pkinase)
PF00627
(UBA) 		5 LEU A 239
LEU A 179
ILE A 115
ALA A 165
HIS A 170
 None
 1.30A 6n91B-5es1A:
undetectable		 6n91B-5es1A:
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.
5ezr CGMP-DEPENDENT
PROTEIN KINASE,
PUTATIVE

(Plasmodium
vivax) 		PF00027
(cNMP_binding)
PF00069
(Pkinase) 		5 LEU A 715
LEU A 658
ILE A 594
ALA A 644
HIS A 649
 None
 1.20A 6n91B-5ezrA:
undetectable		 6n91B-5ezrA:
6.35
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.
5frd CARBOXYLESTERASE
(EST-2)

(Archaeoglobus
fulgidus) 		PF12697
(Abhydrolase_6) 		5 HIS A 228
LEU A 118
SER A  30
HIS A  88
ASP A 200
 None
COA  A1257 ( 4.0A)
CL  A1258 (-2.9A)
None
None
 1.26A 6n91B-5frdA:
2.2		 6n91B-5frdA:
15.29
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.
5n4l CERULOPLASMIN

(Rattus
norvegicus) 		no annotation 5 HIS A1014
ILE A1021
ALA A 165
HIS A 162
HIS A 101
 CU  A1101 (-3.2A)
None
None
CU  A1101 (-3.3A)
CU  A1105 (-3.1A)
 1.17A 6n91B-5n4lA:
undetectable		 6n91B-5n4lA:
16.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ny5 3,4-DIHYDROXYBENZOAT
E DECARBOXYLASE

(Enterobacter
cloacae) 		PF01977
(UbiD) 		5 LEU A  72
ILE A   5
SER A  10
ALA A  11
HIS A  76
 None
 1.11A 6n91B-5ny5A:
undetectable		 6n91B-5ny5A:
11.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5sz8 HEMOLYSIN

(Proteus
mirabilis) 		PF05860
(Haemagg_act) 		5 LEU A  84
LEU A 101
ILE A 109
SER A  64
ALA A 106
 None
 1.29A 6n91B-5sz8A:
undetectable		 6n91B-5sz8A:
19.44
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.
5w15 ALPHA/BETA HYDROLASE
FOLD PROTEIN

(Burkholderia
ambifaria) 		PF12697
(Abhydrolase_6) 		5 LEU A  46
LEU A  94
ILE A 243
ALA A 263
ASP A 116
 None
 1.16A 6n91B-5w15A:
undetectable		 6n91B-5w15A:
15.56
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.
5x4j UNCHARACTERIZED
PROTEIN

(Pyrococcus
furiosus) 		no annotation 5 HIS A 106
SER A  86
HIS A 440
ASP A 165
ASP A  36
 ZN  A 501 (-3.3A)
None
ZN  A 502 ( 4.8A)
ZN  A 501 (-2.3A)
ZN  A 501 (-3.1A)
 1.11A 6n91B-5x4jA:
undetectable		 6n91B-5x4jA:
20.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xmj FUMARATE REDUCTASE
FLAVOPROTEIN SUBUNIT

(Desulfovibrio
gigas) 		no annotation 5 LEU A 199
LEU A  36
ILE A 239
ALA A 181
ASP A 233
 None
FAD  A 701 (-3.7A)
None
FAD  A 701 (-3.7A)
FAD  A 701 ( 4.3A)
 1.16A 6n91B-5xmjA:
undetectable		 6n91B-5xmjA:
18.60
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.
5xoy [LYSW]-LYSINE
HYDROLASE

(Thermus
thermophilus) 		PF01546
(Peptidase_M20) 		5 HIS A 326
GLU A 124
HIS A  67
ASP A  91
ASP A 325
 None
LYS  A 401 (-3.0A)
None
None
None
 1.08A 6n91B-5xoyA:
undetectable		 6n91B-5xoyA:
13.57
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.
5y7y ARYL HYDROCARBON
RECEPTOR REPRESSOR

(Homo sapiens) 		PF00010
(HLH)
PF00989
(PAS) 		5 LEU A 268
LEU A 203
ALA A 178
HIS A 176
ASP A 196
 None
 1.21A 6n91B-5y7yA:
undetectable		 6n91B-5y7yA:
12.78
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.
5yks SNF-RELATED
SERINE/THREONINE-PRO
TEIN KINASE

(Homo sapiens) 		no annotation 5 LEU A 201
LEU A 140
ILE A  75
ALA A 126
HIS A 131
 None
 1.24A 6n91B-5yksA:
undetectable		 6n91B-5yksA:
16.09
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.
5yq7 PRECURSOR FOR L
SUBUNITS OF
PHOTOSYNTHETIC
REACTION CENTER
PRECURSOR FOR M
SUBUNITS OF
PHOTOSYNTHETIC
REACTION CENTER

(Roseiflexus
castenholzii;
Roseiflexus
castenholzii) 		no annotation
no annotation 		5 HIS L 264
LEU M 539
ILE L 263
HIS L 229
HIS M 589
 FE  L1005 (-4.4A)
None
MQE  L1004 ( 4.5A)
FE  L1005 (-3.1A)
FE  L1005 (-3.2A)
 1.15A 6n91B-5yq7L:
undetectable		 6n91B-5yq7L:
19.54
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.
6fv4 N-ACETYLGLUCOSAMINE-
6-PHOSPHATE
DEACETYLASE

(Mycolicibacterium
smegmatis) 		no annotation 5 HIS A 209
ILE A 239
ALA A 267
HIS A  56
HIS A 120
 CD  A 403 ( 3.7A)
None
CL  A 405 (-3.5A)
ZN  A 401 ( 3.3A)
None
 1.05A 6n91B-6fv4A:
14.9		 6n91B-6fv4A:
19.54