SIMILAR PATTERNS OF AMINO ACIDS FOR 2WT9_A_NIOA1216_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
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
ASP A  52
HIS A  54
TYR A 103
CYH A 133
 None
ZN  A 400 (-2.5A)
ZN  A 400 (-3.3A)
None
None
 1.36A 2wt9A-1im5A:
27.4		 2wt9A-1im5A:
35.34
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
TYR A 103
ALA A 129
CYH A 133
 None
None
None
ZN  A 400 (-2.5A)
None
ZN  A 400 (-3.4A)
None
None
None
 0.63A 2wt9A-1im5A:
27.4		 2wt9A-1im5A:
35.34
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
 1.39A 2wt9A-1im5A:
27.4		 2wt9A-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) 		5 ASP A   8
ASP A  51
HIS A  53
TYR A 131
CYH A 167
 None
ZN  A 301 (-2.6A)
ZN  A 301 (-3.2A)
None
None
 1.27A 2wt9A-2h0rA:
30.3		 2wt9A-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.
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
TYR A 131
ALA A 163
CYH A 167
 None
None
None
ZN  A 301 (-2.6A)
None
ZN  A 301 (-3.4A)
None
None
None
 0.37A 2wt9A-2h0rA:
30.3		 2wt9A-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.
2naa HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-36 AND H4
LYSINE-20 SPECIFIC

(Mus musculus) 		no annotation 5 ASP A  53
PHE A  70
LEU A  79
ALA A  59
PHE A  62
 None
 1.39A 2wt9A-2naaA:
undetectable		 2wt9A-2naaA:
15.79
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
HIS A  52
TYR A  93
CYH A 123
 None
ZN  A 183 (-2.6A)
ZN  A 183 (-3.4A)
None
None
 1.28A 2wt9A-3eefA:
22.2		 2wt9A-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) 		7 ASP A   9
PHE A  14
ASP A  50
TRP A  62
HIS A  65
TYR A  93
CYH A 123
 None
None
ZN  A 183 (-2.6A)
None
ZN  A 183 (-3.4A)
None
None
 0.70A 2wt9A-3eefA:
22.2		 2wt9A-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.
3irv CYSTEINE HYDROLASE

(Pseudomonas
savastanoi) 		PF00857
(Isochorismatase) 		5 ASP A  56
PHE A  61
LEU A  68
TYR A 149
CYH A 179
 None
 0.63A 2wt9A-3irvA:
21.7		 2wt9A-3irvA:
24.43
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.
3irv CYSTEINE HYDROLASE

(Pseudomonas
savastanoi) 		PF00857
(Isochorismatase) 		5 PHE A  61
LEU A  68
ASP A  56
TYR A 149
CYH A 179
 None
 1.31A 2wt9A-3irvA:
21.7		 2wt9A-3irvA:
24.43
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) 		7 ASP A   9
PHE A  14
LEU A  21
ASP A  53
HIS A  71
TYR A 106
CYH A 136
 None
None
None
ZN  A 192 (-2.3A)
ZN  A 192 (-3.2A)
None
None
 0.59A 2wt9A-3o90A:
22.0		 2wt9A-3o90A:
32.39
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) 		5 PHE A  14
LEU A  21
ASP A   9
TYR A 106
CYH A 136
 None
 1.32A 2wt9A-3o90A:
22.0		 2wt9A-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
 0.63A 2wt9A-3pl1A:
25.3		 2wt9A-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) 		5 ASP A  32
ASP A  73
HIS A  75
TYR A 126
PHE A 160
 NIO  A 311 (-3.9A)
ZN  A 301 ( 2.5A)
ZN  A 301 (-3.4A)
None
None
 1.37A 2wt9A-3r2jA:
30.2		 2wt9A-3r2jA:
37.70
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) 		9 ASP A  32
PHE A  37
LEU A  44
ASP A  73
TRP A  89
HIS A  92
TYR A 126
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)
None
NIO  A 311 (-3.3A)
None
 0.42A 2wt9A-3r2jA:
30.2		 2wt9A-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) 		5 ASP A   9
ASP A  53
HIS A  55
TYR A 106
CYH A 136
 CAD  A 185 (-3.7A)
ZN  A 184 (-2.6A)
ZN  A 184 (-3.3A)
None
CAD  A 185 (-2.2A)
 1.12A 2wt9A-3s2sA:
22.2		 2wt9A-3s2sA:
32.03
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) 		7 ASP A   9
PHE A  14
LEU A  21
ASP A  53
HIS A  71
TYR A 106
CYH A 136
 CAD  A 185 (-3.7A)
CAD  A 185 (-3.3A)
None
ZN  A 184 (-2.6A)
ZN  A 184 (-3.4A)
None
CAD  A 185 (-2.2A)
 0.38A 2wt9A-3s2sA:
22.2		 2wt9A-3s2sA:
32.03
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) 		5 PHE A  14
LEU A  21
ASP A   9
TYR A 106
CYH A 136
 CAD  A 185 (-3.3A)
None
CAD  A 185 (-3.7A)
None
CAD  A 185 (-2.2A)
 1.30A 2wt9A-3s2sA:
22.2		 2wt9A-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.
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 2wt9A-5z2eA:
5.3		 2wt9A-5z2eA:
16.60
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.
6a8l -

(-) 		no annotation 5 ASP A   9
ASP A  53
HIS A  55
TYR A 106
CYH A 136
 None
ZN  A 200 (-2.7A)
ZN  A 200 (-3.2A)
None
None
 1.19A 2wt9A-6a8lA:
22.3		 2wt9A-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
TYR A 106
CYH A 136
 None
None
None
ZN  A 200 (-2.7A)
ZN  A 200 (-3.4A)
None
None
 0.63A 2wt9A-6a8lA:
22.3		 2wt9A-6a8lA:
undetectable