SIMILAR PATTERNS OF AMINO ACIDS FOR 3R2J_C_NIOC311_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.
1dqu ISOCITRATE LYASE

(Aspergillus
nidulans) 		PF00463
(ICL) 		5 ASP A 168
LEU A 182
ASP A 170
HIS A 173
ALA A 167
 None
 1.30A 3r2jC-1dquA:
undetectable		 3r2jC-1dquA:
19.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1im5 180AA LONG
HYPOTHETICAL
PYRAZINAMIDASE/NICOT
INAMIDASE

(Pyrococcus
horikoshii) 		PF00857
(Isochorismatase) 		10 ASP A  10
PHE A  15
LEU A  21
ASP A  52
HIS A  54
TRP A  68
HIS A  71
LYS A  94
TYR A 103
ALA A 129
 None
None
None
ZN  A 400 (-2.5A)
ZN  A 400 (-3.3A)
None
ZN  A 400 (-3.4A)
None
None
None
 0.52A 3r2jC-1im5A:
28.4		 3r2jC-1im5A:
34.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1im5 180AA LONG
HYPOTHETICAL
PYRAZINAMIDASE/NICOT
INAMIDASE

(Pyrococcus
horikoshii) 		PF00857
(Isochorismatase) 		5 ASP A  10
PHE A  15
LYS A  94
ALA A 129
CYH A 133
 None
 1.19A 3r2jC-1im5A:
28.4		 3r2jC-1im5A:
34.35
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.
1nf9 PHENAZINE
BIOSYNTHESIS PROTEIN
PHZD

(Pseudomonas
aeruginosa) 		PF00857
(Isochorismatase) 		5 ASP A  38
PHE A  43
TRP A  94
LYS A 122
TYR A 125
 None
None
FMT  A 210 ( 4.4A)
None
None
 0.84A 3r2jC-1nf9A:
20.2		 3r2jC-1nf9A:
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.
1rf5 5-ENOLPYRUVYLSHIKIMA
TE-3-PHOSPHATE
SYNTHASE

(Streptococcus
pneumoniae) 		PF00275
(EPSP_synthase) 		5 ASP A 419
LEU A 424
TRP A 239
TYR A 414
PHE A 417
 None
 1.46A 3r2jC-1rf5A:
undetectable		 3r2jC-1rf5A:
21.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1rrm LACTALDEHYDE
REDUCTASE

(Escherichia
coli) 		PF00465
(Fe-ADH) 		5 LEU A 259
ASP A 196
HIS A 277
HIS A 263
ALA A 250
 FE2  A 388 ( 4.1A)
ZN  A 387 (-2.6A)
ZN  A 387 (-3.3A)
ZN  A 387 ( 3.3A)
None
 1.22A 3r2jC-1rrmA:
undetectable		 3r2jC-1rrmA:
21.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fq1 ISOCHORISMATASE

(Escherichia
coli) 		PF00550
(PP-binding)
PF00857
(Isochorismatase) 		5 ASP A  37
PHE A  42
TRP A  95
LYS A 123
TYR A 126
 None
 0.95A 3r2jC-2fq1A:
19.8		 3r2jC-2fq1A:
21.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2h0r NICOTINAMIDASE

(Saccharomyces
cerevisiae) 		PF00857
(Isochorismatase) 		10 ASP A   8
PHE A  13
LEU A  20
ASP A  51
HIS A  53
TRP A  91
HIS A  94
LYS A 122
TYR A 131
ALA A 163
 None
None
None
ZN  A 301 (-2.6A)
ZN  A 301 (-3.2A)
None
ZN  A 301 (-3.4A)
None
None
None
 0.30A 3r2jC-2h0rA:
28.4		 3r2jC-2h0rA:
28.08
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.
2ppt THIOREDOXIN-2

(Rhodobacter
capsulatus) 		PF00085
(Thioredoxin) 		5 PHE A 119
LEU A 140
ASP A  67
ALA A 134
CYH A  76
 None
 1.49A 3r2jC-2pptA:
undetectable		 3r2jC-2pptA:
24.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2wt9 NICOTINAMIDASE

(Acinetobacter
baumannii) 		PF00857
(Isochorismatase) 		5 ASP A  16
ASP A  54
HIS A  89
TYR A 123
PHE A 158
 NIO  A1216 (-3.8A)
ZN  A1212 ( 2.6A)
ZN  A1212 ( 3.5A)
NIO  A1216 (-4.9A)
None
 1.32A 3r2jC-2wt9A:
30.3		 3r2jC-2wt9A:
37.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2wt9 NICOTINAMIDASE

(Acinetobacter
baumannii) 		PF00857
(Isochorismatase) 		11 ASP A  16
PHE A  21
LEU A  27
ASP A  54
HIS A  56
TRP A  86
HIS A  89
LYS A 114
TYR A 123
ALA A 155
PHE A 158
 NIO  A1216 (-3.8A)
NIO  A1216 (-3.7A)
None
ZN  A1212 ( 2.6A)
ZN  A1212 (-3.4A)
NIO  A1216 (-3.3A)
ZN  A1212 ( 3.5A)
NIO  A1216 ( 4.5A)
NIO  A1216 (-4.9A)
NIO  A1216 (-3.8A)
None
 0.45A 3r2jC-2wt9A:
30.3		 3r2jC-2wt9A:
37.70
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.
2z2b DIHYDROOROTASE

(Escherichia
coli) 		PF01979
(Amidohydro_1) 		5 ASP A 240
HIS A  16
HIS A  18
ALA A 256
CYH A 211
 ZN  A 338 (-2.7A)
ZN  A 338 (-3.4A)
ZN  A 338 (-3.2A)
None
None
 1.07A 3r2jC-2z2bA:
undetectable		 3r2jC-2z2bA:
19.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bfj 1,3-PROPANEDIOL
OXIDOREDUCTASE

(Klebsiella
pneumoniae) 		PF00465
(Fe-ADH) 		5 LEU A 263
ASP A 198
HIS A 281
HIS A 267
ALA A 254
 None
FE2  A1388 (-2.6A)
FE2  A1388 (-3.6A)
FE2  A1388 (-3.2A)
None
 1.24A 3r2jC-3bfjA:
4.2		 3r2jC-3bfjA:
21.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3eef N-CARBAMOYLSARCOSINE
AMIDASE RELATED
PROTEIN

(Thermoplasma
acidophilum) 		PF00857
(Isochorismatase) 		8 ASP A   9
PHE A  14
ASP A  50
HIS A  52
TRP A  62
HIS A  65
LYS A  90
TYR A  93
 None
None
ZN  A 183 (-2.6A)
ZN  A 183 (-3.4A)
None
ZN  A 183 (-3.4A)
None
None
 0.65A 3r2jC-3eefA:
23.2		 3r2jC-3eefA:
25.93
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.
3hb7 ISOCHORISMATASE
HYDROLASE

(Alkaliphilus
metalliredigens) 		PF00857
(Isochorismatase) 		6 ASP A  10
PHE A  15
LEU A  22
HIS A  58
LYS A  96
CYH A 129
 None
None
None
NH4  A 201 (-4.1A)
None
None
 1.38A 3r2jC-3hb7A:
22.5		 3r2jC-3hb7A:
25.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3hu5 ISOCHORISMATASE
FAMILY PROTEIN

(Desulfovibrio
vulgaris) 		PF00857
(Isochorismatase) 		5 ASP A  15
PHE A  20
HIS A  60
LYS A 106
CYH A 139
 None
 0.99A 3r2jC-3hu5A:
23.8		 3r2jC-3hu5A:
30.45
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.
3irv CYSTEINE HYDROLASE

(Pseudomonas
savastanoi) 		PF00857
(Isochorismatase) 		5 ASP A  56
PHE A  61
LEU A  68
LYS A 146
TYR A 149
 None
 0.66A 3r2jC-3irvA:
23.3		 3r2jC-3irvA:
24.81
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.
3jze DIHYDROOROTASE

(Salmonella
enterica) 		PF01979
(Amidohydro_1) 		5 ASP A 251
HIS A  17
HIS A  19
ALA A 267
CYH A 222
 ZN  A 401 (-2.7A)
ZN  A 401 (-3.3A)
ZN  A 401 ( 3.3A)
None
None
 1.11A 3r2jC-3jzeA:
undetectable		 3r2jC-3jzeA:
22.34
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.
3o90 NICOTINAMIDASE

(Streptococcus
pneumoniae) 		PF00857
(Isochorismatase) 		7 ASP A   9
PHE A  14
LEU A  21
ASP A  53
HIS A  55
HIS A  71
TYR A 106
 None
None
None
ZN  A 192 (-2.3A)
ZN  A 192 (-3.3A)
ZN  A 192 (-3.2A)
None
 0.55A 3r2jC-3o90A:
23.1		 3r2jC-3o90A:
28.45
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.
3o90 NICOTINAMIDASE

(Streptococcus
pneumoniae) 		PF00857
(Isochorismatase) 		7 ASP A   9
PHE A  14
LEU A  21
ASP A  53
HIS A  71
LYS A 103
TYR A 106
 None
None
None
ZN  A 192 (-2.3A)
ZN  A 192 (-3.2A)
None
None
 0.58A 3r2jC-3o90A:
23.1		 3r2jC-3o90A:
28.45
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.
3ox4 ALCOHOL
DEHYDROGENASE 2

(Zymomonas
mobilis) 		PF00465
(Fe-ADH) 		5 LEU A 259
ASP A 194
HIS A 277
HIS A 263
ALA A 250
 None
FE2  A 501 (-2.2A)
NAD  A1385 ( 3.6A)
FE2  A 501 (-3.3A)
None
 1.34A 3r2jC-3ox4A:
3.8		 3r2jC-3ox4A:
22.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3pl1 PYRAZINAMIDASE/NICOT
INAMIDASE PNCA
(PZASE)

(Mycobacterium
tuberculosis) 		PF00857
(Isochorismatase) 		5 ASP A   8
ASP A  49
HIS A  71
ALA A 134
CYH A 138
 None
FE2  A 188 (-2.6A)
FE2  A 188 (-3.4A)
None
None
 1.30A 3r2jC-3pl1A:
25.8		 3r2jC-3pl1A:
36.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3pl1 PYRAZINAMIDASE/NICOT
INAMIDASE PNCA
(PZASE)

(Mycobacterium
tuberculosis) 		PF00857
(Isochorismatase) 		9 ASP A   8
PHE A  13
LEU A  19
ASP A  49
HIS A  51
TRP A  68
HIS A  71
LYS A  96
CYH A 138
 None
None
None
FE2  A 188 (-2.6A)
FE2  A 188 (-3.5A)
None
FE2  A 188 (-3.4A)
None
None
 0.63A 3r2jC-3pl1A:
25.8		 3r2jC-3pl1A:
36.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3pl1 PYRAZINAMIDASE/NICOT
INAMIDASE PNCA
(PZASE)

(Mycobacterium
tuberculosis) 		PF00857
(Isochorismatase) 		9 ASP A   8
PHE A  13
LEU A  19
ASP A  49
TRP A  68
HIS A  71
LYS A  96
ALA A 134
CYH A 138
 None
None
None
FE2  A 188 (-2.6A)
None
FE2  A 188 (-3.4A)
None
None
None
 0.77A 3r2jC-3pl1A:
25.8		 3r2jC-3pl1A:
36.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3pl1 PYRAZINAMIDASE/NICOT
INAMIDASE PNCA
(PZASE)

(Mycobacterium
tuberculosis) 		PF00857
(Isochorismatase) 		5 LEU A  19
HIS A  57
HIS A  71
ALA A 134
CYH A 138
 None
FE2  A 188 (-3.5A)
FE2  A 188 (-3.4A)
None
None
 1.15A 3r2jC-3pl1A:
25.8		 3r2jC-3pl1A:
36.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pnu DIHYDROOROTASE

(Campylobacter
jejuni) 		PF04909
(Amidohydro_2) 		5 ASP A 237
HIS A  10
HIS A  12
ALA A 253
CYH A 208
 ZN  A 337 (-2.9A)
ZN  A 337 (-3.3A)
ZN  A 337 (-3.4A)
None
None
 1.02A 3r2jC-3pnuA:
undetectable		 3r2jC-3pnuA:
20.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3s2s PUTATIVE
PYRAZINAMIDASE/NICOT
INAMIDASE

(Streptococcus
mutans) 		PF00857
(Isochorismatase) 		8 ASP A   9
PHE A  14
LEU A  21
ASP A  53
HIS A  55
HIS A  71
LYS A 103
TYR A 106
 CAD  A 185 (-3.7A)
CAD  A 185 (-3.3A)
None
ZN  A 184 (-2.6A)
ZN  A 184 (-3.3A)
ZN  A 184 (-3.4A)
None
None
 0.44A 3r2jC-3s2sA:
22.9		 3r2jC-3s2sA:
28.33
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.
3tb4 VIBRIOBACTIN-SPECIFI
C ISOCHORISMATASE

(Vibrio cholerae) 		PF00857
(Isochorismatase) 		5 ASP A  35
PHE A  40
TRP A  93
LYS A 118
TYR A 121
 None
BOG  A 501 (-4.5A)
BOG  A 501 ( 2.7A)
None
BOG  A 501 (-4.1A)
 0.84A 3r2jC-3tb4A:
19.5		 3r2jC-3tb4A:
24.81
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.
3uw2 PHOSPHOGLUCOMUTASE/P
HOSPHOMANNOMUTASE
FAMILY PROTEIN

(Burkholderia
thailandensis) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I)
PF02879
(PGM_PMM_II)
PF02880
(PGM_PMM_III) 		5 ASP A 245
ASP A 247
HIS A 330
ALA A 185
PHE A 242
 ZN  A 474 (-2.6A)
ZN  A 474 ( 2.5A)
None
None
None
 1.42A 3r2jC-3uw2A:
undetectable		 3r2jC-3uw2A:
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.
3vz0 PUTATIVE
NAD-DEPENDENT
ALDEHYDE
DEHYDROGENASE

(Gluconobacter
oxydans) 		PF00171
(Aldedh) 		5 ASP A 174
LEU A  60
HIS A  67
ALA A 175
PHE A 172
 None
 1.19A 3r2jC-3vz0A:
3.4		 3r2jC-3vz0A:
20.43
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.
3zdr ALCOHOL
DEHYDROGENASE DOMAIN
OF THE BIFUNCTIONAL
ACETALDEHYDE
DEHYDROGENASE

(Parageobacillus
thermoglucosidasius) 		PF00465
(Fe-ADH) 		5 LEU A 726
ASP A 661
HIS A 744
HIS A 730
ALA A 717
 CSO  A 845 ( 4.1A)
ZN  A1870 ( 1.7A)
ZN  A1870 ( 3.3A)
ZN  A1870 ( 3.2A)
None
 1.21A 3r2jC-3zdrA:
2.2		 3r2jC-3zdrA:
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.
4a5a NUCLEOSIDE-TRIPHOSPH
ATASE 1

(Toxoplasma
gondii) 		PF01150
(GDA1_CD39) 		5 ASP A  96
LEU A 606
ASP A  98
HIS A 246
ALA A  83
 None
 1.41A 3r2jC-4a5aA:
undetectable		 3r2jC-4a5aA:
16.31
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.
4fr2 1,3-PROPANEDIOL
DEHYDROGENASE

(Oenococcus oeni) 		PF00465
(Fe-ADH) 		5 LEU A 263
ASP A 198
HIS A 281
HIS A 267
ALA A 254
 None
NI  A 501 (-2.7A)
NI  A 501 (-3.6A)
NI  A 501 (-3.4A)
None
 1.20A 3r2jC-4fr2A:
3.8		 3r2jC-4fr2A:
21.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4lfy DIHYDROOROTASE

(Burkholderia
cenocepacia) 		PF01979
(Amidohydro_1) 		5 ASP A 268
HIS A  31
HIS A  33
ALA A 284
CYH A 239
 ZN  A 401 (-2.7A)
ZN  A 401 (-3.3A)
ZN  A 401 (-3.3A)
None
None
 1.09A 3r2jC-4lfyA:
undetectable		 3r2jC-4lfyA:
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.
4mhp GLUTAMINYL CYCLASE,
PUTATIVE

(Ixodes
scapularis) 		PF04389
(Peptidase_M28) 		5 ASP A 326
PHE A 139
LEU A 132
ASP A 144
HIS A 128
 None
 1.27A 3r2jC-4mhpA:
undetectable		 3r2jC-4mhpA:
19.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 244
ASP A 246
HIS A 329
ALA A 184
PHE A 241
 ZN  A 501 ( 2.5A)
ZN  A 501 ( 2.3A)
TLA  A 502 (-4.0A)
None
None
 1.40A 3r2jC-4mrqA:
undetectable		 3r2jC-4mrqA:
20.80
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.
4qbj GLYCYLPEPTIDE
N-TETRADECANOYLTRANS
FERASE

(Aspergillus
fumigatus) 		PF01233
(NMT)
PF02799
(NMT_C) 		5 PHE A 370
LEU A 320
HIS A 439
TYR A 395
ALA A 356
 None
 1.30A 3r2jC-4qbjA:
undetectable		 3r2jC-4qbjA:
19.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rp8 ASCORBATE-SPECIFIC
PERMEASE IIC
COMPONENT ULAA

(Escherichia
coli) 		PF03611
(EIIC-GAT) 		5 PHE A  52
LEU A  23
HIS A 135
ALA A 317
CYH A 315
 None
None
ASC  A 501 (-4.1A)
None
ASC  A 501 ( 4.5A)
 1.33A 3r2jC-4rp8A:
undetectable		 3r2jC-4rp8A:
18.97
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.
5cgz 4-OXALMESACONATE
HYDRATASE

(Pseudomonas
putida) 		PF02585
(PIG-L) 		5 PHE A 161
HIS A 127
HIS A 117
ALA A  22
PHE A  18
 None
ZN  A 301 (-3.4A)
None
None
None
 1.29A 3r2jC-5cgzA:
3.5		 3r2jC-5cgzA:
20.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5e9g ISOCITRATE LYASE

(Magnaporthe
oryzae) 		PF00463
(ICL) 		5 ASP A 177
LEU A 191
ASP A 179
HIS A 182
ALA A 176
 MG  A 603 ( 2.7A)
None
MG  A 603 ( 4.9A)
None
None
 1.29A 3r2jC-5e9gA:
undetectable		 3r2jC-5e9gA:
17.95
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.
5e9h ISOCITRATE LYASE

(Fusarium
graminearum) 		PF00463
(ICL) 		5 ASP A 177
LEU A 191
ASP A 179
HIS A 182
ALA A 176
 MN  A 601 (-2.9A)
None
None
None
None
 1.32A 3r2jC-5e9hA:
undetectable		 3r2jC-5e9hA:
19.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gle ISCHORISMATE LYASE

(Vibrio
anguillarum) 		no annotation 5 ASP A  37
PHE A  42
TRP A  95
LYS A 120
TYR A 123
 None
 0.90A 3r2jC-5gleA:
19.2		 3r2jC-5gleA:
25.98
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.
5vgm DIHYDROOROTASE

(Vibrio cholerae) 		PF01979
(Amidohydro_1) 		5 ASP A 246
HIS A  13
HIS A  15
ALA A 262
CYH A 217
 ZN  A 402 (-2.7A)
ZN  A 402 (-3.3A)
ZN  A 402 (-3.3A)
CSX  A 261 ( 3.6A)
None
 1.07A 3r2jC-5vgmA:
2.1		 3r2jC-5vgmA:
20.56
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.
5w1u CARBOXYLIC ESTER
HYDROLASE

(Culex
quinquefasciatus) 		PF00135
(COesterase) 		5 PHE A 394
LEU A 327
HIS A 190
HIS A 442
PHE A 281
 MLI  A 601 ( 4.1A)
MLI  A 601 (-4.6A)
EPE  A 600 ( 4.5A)
EPE  A 600 ( 4.0A)
MLI  A 601 (-3.7A)
 1.45A 3r2jC-5w1uA:
undetectable		 3r2jC-5w1uA:
18.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wxv ISOCHORISMATE LYASE

(Vibrio
anguillarum) 		no annotation 5 ASP A  39
PHE A  44
TRP A  97
LYS A 122
TYR A 125
 None
 0.80A 3r2jC-5wxvA:
19.5		 3r2jC-5wxvA:
15.35
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.
5z2e DIHYDRODIPICOLINATE
REDUCTASE

(Paenisporosarcina
sp. TG-14) 		no annotation 5 PHE A  72
LEU A  60
ASP A  74
HIS A  84
ALA A   5
 None
 1.34A 3r2jC-5z2eA:
6.0		 3r2jC-5z2eA:
14.98
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.
6a8l -

(-) 		no annotation 6 ASP A   9
LEU A  21
ASP A  53
HIS A  55
LYS A 103
CYH A 136
 None
None
ZN  A 200 (-2.7A)
ZN  A 200 (-3.2A)
None
None
 1.13A 3r2jC-6a8lA:
23.1		 3r2jC-6a8lA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6a8l -

(-) 		no annotation 8 ASP A   9
PHE A  14
LEU A  21
ASP A  53
HIS A  55
HIS A  71
LYS A 103
TYR A 106
 None
None
None
ZN  A 200 (-2.7A)
ZN  A 200 (-3.2A)
ZN  A 200 (-3.4A)
None
None
 0.65A 3r2jC-6a8lA:
23.1		 3r2jC-6a8lA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6cty DIHYDROOROTASE

(Yersinia pestis) 		no annotation 5 ASP A 251
HIS A  17
HIS A  19
ALA A 267
CYH A 222
 ZN  A 402 ( 2.8A)
ZN  A 402 (-3.4A)
ZN  A 402 ( 3.3A)
CSX  A 266 (-3.6A)
None
 1.10A 3r2jC-6ctyA:
undetectable		 3r2jC-6ctyA:
18.26