SIMILAR PATTERNS OF AMINO ACIDS FOR 2WT9_B_NIOB1216

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
 1.38A 2wt9B-1dquA:
undetectable		 2wt9B-1dquA:
16.95
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) 		8 ASP A  10
PHE A  15
LEU A  21
ASP A  52
TRP A  68
HIS A  71
ALA A 129
CYH A 133
 None
None
None
ZN  A 400 (-2.5A)
None
ZN  A 400 (-3.4A)
None
None
 0.53A 2wt9B-1im5A:
27.4		 2wt9B-1im5A:
35.34
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.
2h0r NICOTINAMIDASE

(Saccharomyces
cerevisiae) 		PF00857
(Isochorismatase) 		8 ASP A   8
PHE A  13
LEU A  20
ASP A  51
TRP A  91
HIS A  94
ALA A 163
CYH A 167
 None
None
None
ZN  A 301 (-2.6A)
None
ZN  A 301 (-3.4A)
None
None
 0.35A 2wt9B-2h0rA:
30.2		 2wt9B-2h0rA:
29.55
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.
3eef N-CARBAMOYLSARCOSINE
AMIDASE RELATED
PROTEIN

(Thermoplasma
acidophilum) 		PF00857
(Isochorismatase) 		6 ASP A   9
PHE A  14
ASP A  50
TRP A  62
HIS A  65
CYH A 123
 None
None
ZN  A 183 (-2.6A)
None
ZN  A 183 (-3.4A)
None
 0.70A 2wt9B-3eefA:
22.2		 2wt9B-3eefA:
26.53
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.
3eef N-CARBAMOYLSARCOSINE
AMIDASE RELATED
PROTEIN

(Thermoplasma
acidophilum) 		PF00857
(Isochorismatase) 		5 ASP A   9
PHE A  14
LEU A  19
ASP A  50
CYH A 123
 None
None
None
ZN  A 183 (-2.6A)
None
 1.02A 2wt9B-3eefA:
22.2		 2wt9B-3eefA:
26.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3o90 NICOTINAMIDASE

(Streptococcus
pneumoniae) 		PF00857
(Isochorismatase) 		6 ASP A   9
PHE A  14
LEU A  21
ASP A  53
HIS A  71
CYH A 136
 None
None
None
ZN  A 192 (-2.3A)
ZN  A 192 (-3.2A)
None
 0.60A 2wt9B-3o90A:
21.9		 2wt9B-3o90A:
32.39
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
LEU A  19
ASP A  49
TRP A  68
HIS A  71
ALA A 134
 None
None
None
FE2  A 188 (-2.6A)
None
FE2  A 188 (-3.4A)
None
 0.61A 2wt9B-3pl1A:
25.3		 2wt9B-3pl1A:
33.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3r2j ALPHA/BETA-HYDROLASE
-LIKE PROTEIN

(Leishmania
infantum) 		PF00857
(Isochorismatase) 		8 ASP A  32
PHE A  37
LEU A  44
ASP A  73
TRP A  89
HIS A  92
ALA A 157
PHE A 160
 NIO  A 311 (-3.9A)
None
None
ZN  A 301 ( 2.5A)
NIO  A 311 (-3.4A)
ZN  A 301 ( 3.4A)
NIO  A 311 (-3.3A)
None
 0.40A 2wt9B-3r2jA:
30.1		 2wt9B-3r2jA:
37.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3s2s PUTATIVE
PYRAZINAMIDASE/NICOT
INAMIDASE

(Streptococcus
mutans) 		PF00857
(Isochorismatase) 		6 ASP A   9
PHE A  14
LEU A  21
ASP A  53
HIS A  71
CYH A 136
 CAD  A 185 (-3.7A)
CAD  A 185 (-3.3A)
None
ZN  A 184 (-2.6A)
ZN  A 184 (-3.4A)
CAD  A 185 (-2.2A)
 0.34A 2wt9B-3s2sA:
22.1		 2wt9B-3s2sA:
32.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6a8l -

(-) 		no annotation 6 ASP A   9
PHE A  14
LEU A  21
ASP A  53
HIS A  71
CYH A 136
 None
None
None
ZN  A 200 (-2.7A)
ZN  A 200 (-3.4A)
None
 0.65A 2wt9B-6a8lA:
22.1		 2wt9B-6a8lA:
undetectable