SIMILAR PATTERNS OF AMINO ACIDS FOR 3R2J_B_NIOB311_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
 1.32A 3r2jB-1dquA:
undetectable		 3r2jB-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) 		9 ASP A  10
PHE A  15
LEU A  21
ASP A  52
TRP A  68
HIS A  71
LYS A  94
TYR A 103
ALA A 129
 None
None
None
ZN  A 400 (-2.5A)
None
ZN  A 400 (-3.4A)
None
None
None
 0.67A 3r2jB-1im5A:
27.9		 3r2jB-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
LEU A  21
TRP A  68
TYR A 132
 None
 1.46A 3r2jB-1im5A:
27.9		 3r2jB-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
 1.25A 3r2jB-1im5A:
27.9		 3r2jB-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.
1vlj NADH-DEPENDENT
BUTANOL
DEHYDROGENASE

(Thermotoga
maritima) 		PF00465
(Fe-ADH) 		5 ASP A 120
ASP A 117
HIS A  79
ALA A 121
PHE A 122
 None
 1.34A 3r2jB-1vljA:
4.3		 3r2jB-1vljA:
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.
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
 0.89A 3r2jB-2fq1A:
19.6		 3r2jB-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) 		9 ASP A   8
PHE A  13
LEU A  20
ASP A  51
TRP A  91
HIS A  94
LYS A 122
TYR A 131
ALA A 163
 None
None
None
ZN  A 301 (-2.6A)
None
ZN  A 301 (-3.4A)
None
None
None
 0.34A 3r2jB-2h0rA:
27.6		 3r2jB-2h0rA:
28.08
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) 		10 ASP A  16
PHE A  21
LEU A  27
ASP A  54
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)
NIO  A1216 (-3.3A)
ZN  A1212 ( 3.5A)
NIO  A1216 ( 4.5A)
NIO  A1216 (-4.9A)
NIO  A1216 (-3.8A)
None
 0.55A 3r2jB-2wt9A:
29.5		 3r2jB-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) 		5 ASP A  54
PHE A  21
LEU A  27
TYR A 123
PHE A 158
 ZN  A1212 ( 2.6A)
NIO  A1216 (-3.7A)
None
NIO  A1216 (-4.9A)
None
 1.37A 3r2jB-2wt9A:
29.5		 3r2jB-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.
3eef N-CARBAMOYLSARCOSINE
AMIDASE RELATED
PROTEIN

(Thermoplasma
acidophilum) 		PF00857
(Isochorismatase) 		7 ASP A   9
PHE A  14
ASP A  50
TRP A  62
HIS A  65
LYS A  90
TYR A  93
 None
None
ZN  A 183 (-2.6A)
None
ZN  A 183 (-3.4A)
None
None
 0.73A 3r2jB-3eefA:
22.7		 3r2jB-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.
3irv CYSTEINE HYDROLASE

(Pseudomonas
savastanoi) 		PF00857
(Isochorismatase) 		5 ASP A  56
PHE A  61
LEU A  68
LYS A 146
TYR A 149
 None
 0.61A 3r2jB-3irvA:
23.0		 3r2jB-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.
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
 0.61A 3r2jB-3o90A:
22.7		 3r2jB-3o90A:
28.45
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) 		7 ASP A   8
PHE A  13
ASP A  49
TRP A  68
HIS A  71
ALA A 134
CYH A 138
 None
None
FE2  A 188 (-2.6A)
None
FE2  A 188 (-3.4A)
None
None
 0.74A 3r2jB-3pl1A:
25.6		 3r2jB-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) 		8 ASP A   8
PHE A  13
LEU A  19
ASP A  49
TRP A  68
HIS A  71
LYS A  96
CYH A 138
 None
None
None
FE2  A 188 (-2.6A)
None
FE2  A 188 (-3.4A)
None
None
 0.64A 3r2jB-3pl1A:
25.6		 3r2jB-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.
3s2s PUTATIVE
PYRAZINAMIDASE/NICOT
INAMIDASE

(Streptococcus
mutans) 		PF00857
(Isochorismatase) 		7 ASP A   9
PHE A  14
LEU A  21
ASP A  53
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 (-3.4A)
None
None
 0.51A 3r2jB-3s2sA:
22.6		 3r2jB-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)
 0.81A 3r2jB-3tb4A:
19.3		 3r2jB-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.
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
 1.20A 3r2jB-3vz0A:
3.6		 3r2jB-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.
4e54 DNA DAMAGE-BINDING
PROTEIN 2

(Homo sapiens) 		PF00400
(WD40) 		5 LEU B 258
ASP B 208
ALA B 294
PHE B 296
CYH B 295
 None
 1.50A 3r2jB-4e54B:
undetectable		 3r2jB-4e54B:
19.51
Potential target for repurposing, i.e. matched protein structure has less than 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 ASP A 314
PHE A  52
LEU A  23
ALA A 317
CYH A 315
 ASC  A 501 (-2.7A)
None
None
None
ASC  A 501 ( 4.5A)
 1.43A 3r2jB-4rp8A:
undetectable		 3r2jB-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.
5bp3 MYCOCEROSIC ACID
SYNTHASE-LIKE
POLYKETIDE SYNTHASE

(Mycolicibacterium
smegmatis) 		PF14765
(PS-DH) 		5 LEU A 931
TRP A 930
HIS A 928
TYR A1092
ALA A 946
 None
 1.47A 3r2jB-5bp3A:
undetectable		 3r2jB-5bp3A:
22.33
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.
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
 1.30A 3r2jB-5e9gA:
undetectable		 3r2jB-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
 1.33A 3r2jB-5e9hA:
undetectable		 3r2jB-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
 0.91A 3r2jB-5gleA:
19.0		 3r2jB-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.
5wxv ISOCHORISMATE LYASE

(Vibrio
anguillarum) 		no annotation 5 ASP A  39
PHE A  44
TRP A  97
LYS A 122
TYR A 125
 None
 0.77A 3r2jB-5wxvA:
19.3		 3r2jB-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
 1.37A 3r2jB-5z2eA:
undetectable		 3r2jB-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 5 ASP A   9
LEU A  21
ASP A  53
LYS A 103
CYH A 136
 None
None
ZN  A 200 (-2.7A)
None
None
 1.19A 3r2jB-6a8lA:
22.7		 3r2jB-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 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 200 (-2.7A)
ZN  A 200 (-3.4A)
None
None
 0.71A 3r2jB-6a8lA:
22.7		 3r2jB-6a8lA:
undetectable