SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '2ess'

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.
1GTN_K_TRPK81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN)		 2ess ACYL-ACP
THIOESTERASE
(Bacteroides
thetaiotaomicron) 		4 / 7 THR A  82
SER A 111
GLY A  39
HIS A  41
 None
None
MPD  A 252 (-3.6A)
None
 0.93A 1gtnJ-2essA:
undetectable
1gtnK-2essA:
undetectable		 1gtnJ-2essA:
17.60
1gtnK-2essA:
17.60
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.
1QW6_A_H4BA901_1
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 2ess ACYL-ACP
THIOESTERASE
(Bacteroides
thetaiotaomicron) 		3 / 3 ARG A 110
VAL A  84
TRP A  83
 None
 1.26A 1qw6A-2essA:
undetectable		 1qw6A-2essA:
17.90
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.
1QWC_A_H4BA901_1
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 2ess ACYL-ACP
THIOESTERASE
(Bacteroides
thetaiotaomicron) 		3 / 3 ARG A 110
VAL A  84
TRP A  83
 None
 1.15A 1qwcA-2essA:
undetectable		 1qwcA-2essA:
17.90
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.
1VAG_A_H4BA901_1
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 2ess ACYL-ACP
THIOESTERASE
(Bacteroides
thetaiotaomicron) 		3 / 3 ARG A 110
VAL A  84
TRP A  83
 None
 1.19A 1vagA-2essA:
undetectable		 1vagA-2essA:
17.90
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.
1ZVI_A_H4BA901_1
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 2ess ACYL-ACP
THIOESTERASE
(Bacteroides
thetaiotaomicron) 		3 / 3 ARG A 110
VAL A  84
TRP A  83
 None
 1.18A 1zviA-2essA:
undetectable		 1zviA-2essA:
17.90
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.
3CS8_A_BRLA503_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		 2ess ACYL-ACP
THIOESTERASE
(Bacteroides
thetaiotaomicron) 		5 / 12 SER A 242
ILE A 184
LEU A 185
MET A  27
TYR A 205
 None
 1.29A 3cs8A-2essA:
undetectable		 3cs8A-2essA:
18.91
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.
3VN2_A_TLSA501_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		 2ess ACYL-ACP
THIOESTERASE
(Bacteroides
thetaiotaomicron) 		5 / 12 SER A 242
ILE A 184
LEU A 185
LEU A  68
TYR A 205
 None
 1.31A 3vn2A-2essA:
undetectable		 3vn2A-2essA:
19.08
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.
4OK1_A_198A1001_2
(ANDROGEN RECEPTOR)		 2ess ACYL-ACP
THIOESTERASE
(Bacteroides
thetaiotaomicron) 		4 / 8 LEU A  52
LEU A 129
HIS A 130
ILE A 138
 None
 1.03A 4ok1A-2essA:
undetectable		 4ok1A-2essA:
21.58
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.
5A5Z_C_WJZC304_0
(BETA-LACTAMASE NDM-1)		 2ess ACYL-ACP
THIOESTERASE
(Bacteroides
thetaiotaomicron) 		4 / 7 HIS A  33
GLY A  28
ASN A  32
HIS A  18
 CL  A 251 (-4.3A)
None
None
CL  A 251 (-3.9A)
 1.16A 5a5zC-2essA:
undetectable		 5a5zC-2essA:
19.38
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.
5FVO_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 2ess ACYL-ACP
THIOESTERASE
(Bacteroides
thetaiotaomicron) 		3 / 3 ARG A 110
VAL A  84
TRP A  83
 None
 1.12A 5fvoA-2essA:
undetectable		 5fvoA-2essA:
17.66
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.
5X1B_C_CHDC304_0
(CYTOCHROME C OXIDASE
SUBUNIT 3)		 2ess ACYL-ACP
THIOESTERASE
(Bacteroides
thetaiotaomicron) 		3 / 3 ARG A 197
PHE A  78
LEU A  68
 None
 0.74A 5x1bC-2essA:
undetectable		 5x1bC-2essA:
24.07
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.
6AOG_A_CP6A704_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 2ess ACYL-ACP
THIOESTERASE
(Bacteroides
thetaiotaomicron) 		5 / 10 VAL A  84
HIS A  41
MET A 115
VAL A  87
THR A  82
 None
 1.17A 6aogA-2essA:
undetectable		 6aogA-2essA:
12.81
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.
6AOG_B_CP6B704_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 2ess ACYL-ACP
THIOESTERASE
(Bacteroides
thetaiotaomicron) 		5 / 10 VAL A  84
HIS A  41
MET A 115
VAL A  87
THR A  82
 None
 1.18A 6aogB-2essA:
undetectable		 6aogB-2essA:
12.81
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.
6ESM_A_PZEA307_1
(MATRIX
METALLOPROTEINASE-9,
MATRIX
METALLOPROTEINASE-9)		 2ess ACYL-ACP
THIOESTERASE
(Bacteroides
thetaiotaomicron) 		3 / 3 TYR A 137
HIS A  41
PHE A  47
 None
None
MPD  A 252 ( 4.8A)
 0.97A 6esmA-2essA:
undetectable		 6esmA-2essA:
20.18