SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'HCA'


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.
1GTI_F_CCSF47_0
(GLUTATHIONE
S-TRANSFERASE)		 5koj NITROGENASE PROTEIN
ALPHA CHAIN
(Gluconacetobacte
r
diazotrophicus) 		4 / 5 THR A  74
LEU A 425
GLY A 422
LYS A 442
 None
None
None
HCA  A 501 ( 4.2A)
 1.36A 1gtiF-5kojA:
undetectable		 1gtiF-5kojA:
16.13
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.
4QOI_A_ML1A303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		 4wzb NITROGENASE
MOLYBDENUM-IRON
PROTEIN ALPHA CHAIN
(Azotobacter
vinelandii) 		4 / 8 TYR A 367
TRP A 444
GLY A 424
ILE A  59
 None
None
HCA  A1494 (-3.5A)
None
 0.90A 4qoiA-4wzbA:
undetectable
4qoiB-4wzbA:
undetectable		 4qoiA-4wzbA:
19.68
4qoiB-4wzbA:
19.68
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.
4QOI_A_ML1A303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		 5koj NITROGENASE PROTEIN
ALPHA CHAIN
(Gluconacetobacte
r
diazotrophicus) 		4 / 8 TYR A 383
TRP A 460
GLY A 440
ILE A  75
 None
None
HCA  A 501 (-3.3A)
None
 0.85A 4qoiA-5kojA:
undetectable
4qoiB-5kojA:
undetectable		 4qoiA-5kojA:
16.73
4qoiB-5kojA:
16.73
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.
4XNX_A_41XA707_1
(TRANSPORTER)		 5koj NITROGENASE PROTEIN
ALPHA CHAIN
(Gluconacetobacte
r
diazotrophicus) 		5 / 11 ALA A  81
TYR A 245
GLY A 372
SER A 294
GLY A  82
 HCA  A 501 (-3.3A)
ICS  A 502 (-4.1A)
ICS  A 502 (-3.5A)
ICS  A 502 ( 3.7A)
None
 1.27A 4xnxA-5kojA:
undetectable		 4xnxA-5kojA:
21.31