SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '2wt9'

List of Similar Pattern of Amino Acids

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 on the DrReposER ID to view details on interfaces and similar patterns of amino acids)
(Click on the view link on the last column to view superposed patterns of amino acids)
Filter list by:
DrReposER ID / Desc. Hit
PDBID		 Hit
Macromolecule		 Res.
Matches		 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.
1D4S_A_TPVA201_1
(PROTEIN (HIV-1
PROTEASE))		 2wt9 NICOTINAMIDASE
(Acinetobacter
baumannii) 		5 / 10 LEU A  27
ALA A  32
ASP A  33
ILE A  36
GLY A 153
 None
 1.26A 1d4sA-2wt9A:
undetectable		 1d4sA-2wt9A:
19.81
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.
1JIP_A_KTNA801_1
(CYTOCHROME P450
107A1)		 2wt9 NICOTINAMIDASE
(Acinetobacter
baumannii) 		5 / 12 THR A 163
LEU A 210
VAL A  13
LEU A  12
ALA A  11
 None
 0.93A 1jipA-2wt9A:
undetectable		 1jipA-2wt9A:
19.40
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.
2O4L_A_TPVA403_2
(PROTEASE)		 2wt9 NICOTINAMIDASE
(Acinetobacter
baumannii) 		5 / 12 ALA A  32
ASP A  33
VAL A  17
ILE A  36
ILE A 154
 None
 0.88A 2o4lB-2wt9A:
undetectable		 2o4lB-2wt9A:
17.52
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.
3CWK_A_REAA300_1
(CELLULAR RETINOIC
ACID-BINDING PROTEIN
2)		 2wt9 NICOTINAMIDASE
(Acinetobacter
baumannii) 		5 / 12 PHE A 126
LEU A 137
ALA A 167
VAL A 176
THR A 174
 None
 1.16A 3cwkA-2wt9A:
undetectable		 3cwkA-2wt9A:
20.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3O94_A_NCAA192_0
(NICOTINAMIDASE)		 2wt9 NICOTINAMIDASE
(Acinetobacter
baumannii) 		6 / 11 ASP A  16
PHE A  21
LEU A  27
ASP A  54
HIS A  89
TYR A 123
 NIO  A1216 (-3.8A)
NIO  A1216 (-3.7A)
None
ZN  A1212 ( 2.6A)
ZN  A1212 ( 3.5A)
NIO  A1216 (-4.9A)
 0.42A 3o94A-2wt9A:
22.5		 3o94A-2wt9A:
31.98
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3O94_B_NCAB192_0
(NICOTINAMIDASE)		 2wt9 NICOTINAMIDASE
(Acinetobacter
baumannii) 		6 / 11 ASP A  16
PHE A  21
LEU A  27
ASP A  54
HIS A  89
TYR A 123
 NIO  A1216 (-3.8A)
NIO  A1216 (-3.7A)
None
ZN  A1212 ( 2.6A)
ZN  A1212 ( 3.5A)
NIO  A1216 (-4.9A)
 0.38A 3o94B-2wt9A:
22.4		 3o94B-2wt9A:
31.98
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3O94_C_NCAC192_0
(NICOTINAMIDASE)		 2wt9 NICOTINAMIDASE
(Acinetobacter
baumannii) 		6 / 11 ASP A  16
PHE A  21
LEU A  27
ASP A  54
HIS A  89
TYR A 123
 NIO  A1216 (-3.8A)
NIO  A1216 (-3.7A)
None
ZN  A1212 ( 2.6A)
ZN  A1212 ( 3.5A)
NIO  A1216 (-4.9A)
 0.41A 3o94C-2wt9A:
22.4		 3o94C-2wt9A:
31.98
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3O94_D_NCAD192_0
(NICOTINAMIDASE)		 2wt9 NICOTINAMIDASE
(Acinetobacter
baumannii) 		6 / 11 ASP A  16
PHE A  21
LEU A  27
ASP A  54
HIS A  89
TYR A 123
 NIO  A1216 (-3.8A)
NIO  A1216 (-3.7A)
None
ZN  A1212 ( 2.6A)
ZN  A1212 ( 3.5A)
NIO  A1216 (-4.9A)
 0.42A 3o94D-2wt9A:
22.3		 3o94D-2wt9A:
31.98
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3R2J_A_NIOA311_1
(ALPHA/BETA-HYDROLASE
-LIKE PROTEIN)		 2wt9 NICOTINAMIDASE
(Acinetobacter
baumannii) 		8 / 9 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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3R2J_B_NIOB311_1
(ALPHA/BETA-HYDROLASE
-LIKE PROTEIN)		 2wt9 NICOTINAMIDASE
(Acinetobacter
baumannii) 		10 / 11 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.
3R2J_B_NIOB311_1
(ALPHA/BETA-HYDROLASE
-LIKE PROTEIN)		 2wt9 NICOTINAMIDASE
(Acinetobacter
baumannii) 		5 / 11 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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3R2J_C_NIOC311_1
(ALPHA/BETA-HYDROLASE
-LIKE PROTEIN)		 2wt9 NICOTINAMIDASE
(Acinetobacter
baumannii) 		5 / 12 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.
3R2J_C_NIOC311_1
(ALPHA/BETA-HYDROLASE
-LIKE PROTEIN)		 2wt9 NICOTINAMIDASE
(Acinetobacter
baumannii) 		11 / 12 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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3R2J_D_NIOD311_1
(ALPHA/BETA-HYDROLASE
-LIKE PROTEIN)		 2wt9 NICOTINAMIDASE
(Acinetobacter
baumannii) 		10 / 11 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
 0.43A 3r2jD-2wt9A:
30.3		 3r2jD-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.
4K7G_B_ACTB902_0
(3-HYDROXYPROLINE
DEHYDRATSE)		 2wt9 NICOTINAMIDASE
(Acinetobacter
baumannii) 		4 / 7 ASP A  54
ASP A 121
SER A  62
HIS A  89
 ZN  A1212 ( 2.6A)
ZN  A1212 ( 4.1A)
ZN  A1212 ( 4.4A)
ZN  A1212 ( 3.5A)
 0.98A 4k7gB-2wt9A:
undetectable		 4k7gB-2wt9A:
25.14
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.
4POO_B_SAMB301_0
(PUTATIVE RNA
METHYLASE)		 2wt9 NICOTINAMIDASE
(Acinetobacter
baumannii) 		5 / 12 GLY A  20
HIS A 100
ASP A  96
HIS A  56
SER A  62
 None
None
None
ZN  A1212 (-3.4A)
ZN  A1212 ( 4.4A)
 1.35A 4pooB-2wt9A:
4.2		 4pooB-2wt9A:
20.33
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.
4QC6_B_KANB201_2
(BIFUNCTIONAL AAC/APH)		 2wt9 NICOTINAMIDASE
(Acinetobacter
baumannii) 		3 / 3 LEU A  78
ASP A  79
TYR A  80
 None
 0.57A 4qc6B-2wt9A:
undetectable		 4qc6B-2wt9A:
20.08
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.
5KLA_A_ACTA1505_0
(MATERNAL PROTEIN
PUMILIO)		 2wt9 NICOTINAMIDASE
(Acinetobacter
baumannii) 		3 / 3 HIS A  89
LYS A  88
PHE A  63
 ZN  A1212 ( 3.5A)
None
None
 1.32A 5klaA-2wt9A:
undetectable		 5klaA-2wt9A:
18.48