SIMILAR PATTERNS OF AMINO ACIDS FOR 3R2J_A_NIOA311_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
 1.28A 3r2jA-1dquA:
undetectable		 3r2jA-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) 		7 ASP A  10
LEU A  21
ASP A  52
TRP A  68
HIS A  71
LYS A  94
ALA A 129
 None
None
ZN  A 400 (-2.5A)
None
ZN  A 400 (-3.4A)
None
None
 0.61A 3r2jA-1im5A:
28.3		 3r2jA-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.
2h0r NICOTINAMIDASE

(Saccharomyces
cerevisiae) 		PF00857
(Isochorismatase) 		7 ASP A   8
LEU A  20
ASP A  51
TRP A  91
HIS A  94
LYS A 122
ALA A 163
 None
None
ZN  A 301 (-2.6A)
None
ZN  A 301 (-3.4A)
None
None
 0.36A 3r2jA-2h0rA:
28.3		 3r2jA-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) 		8 ASP A  16
LEU A  27
ASP A  54
TRP A  86
HIS A  89
LYS A 114
ALA A 155
PHE A 158
 NIO  A1216 (-3.8A)
None
ZN  A1212 ( 2.6A)
NIO  A1216 (-3.3A)
ZN  A1212 ( 3.5A)
NIO  A1216 ( 4.5A)
NIO  A1216 (-3.8A)
None
 0.45A 3r2jA-2wt9A:
30.2		 3r2jA-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) 		5 ASP A   9
ASP A  50
TRP A  62
HIS A  65
LYS A  90
 None
ZN  A 183 (-2.6A)
None
ZN  A 183 (-3.4A)
None
 0.56A 3r2jA-3eefA:
23.3		 3r2jA-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.
3o90 NICOTINAMIDASE

(Streptococcus
pneumoniae) 		PF00857
(Isochorismatase) 		5 ASP A   9
LEU A  21
ASP A  53
HIS A  71
LYS A 103
 None
None
ZN  A 192 (-2.3A)
ZN  A 192 (-3.2A)
None
 0.56A 3r2jA-3o90A:
23.1		 3r2jA-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) 		8 ASP A   8
LEU A  19
ASP A  49
TRP A  68
HIS A  71
LYS A  96
ALA A 134
CYH A 138
 None
None
FE2  A 188 (-2.6A)
None
FE2  A 188 (-3.4A)
None
None
None
 0.82A 3r2jA-3pl1A:
25.5		 3r2jA-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) 		5 ASP A   9
LEU A  21
ASP A  53
HIS A  71
LYS A 103
 CAD  A 185 (-3.7A)
None
ZN  A 184 (-2.6A)
ZN  A 184 (-3.4A)
None
 0.49A 3r2jA-3s2sA:
23.0		 3r2jA-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.
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
 1.24A 3r2jA-3vz0A:
2.8		 3r2jA-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.
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
 1.43A 3r2jA-4a5aA:
undetectable		 3r2jA-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.
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 3r2jA-5e9gA:
undetectable		 3r2jA-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
 1.31A 3r2jA-5e9hA:
undetectable		 3r2jA-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.
6a8l -

(-) 		no annotation 5 ASP A   9
LEU A  21
ASP A  53
HIS A  71
LYS A 103
 None
None
ZN  A 200 (-2.7A)
ZN  A 200 (-3.4A)
None
 0.72A 3r2jA-6a8lA:
23.1		 3r2jA-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 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
 1.17A 3r2jA-6a8lA:
23.1		 3r2jA-6a8lA:
undetectable