Structure of PDB 3w9a Chain D Binding Site BS01
Receptor Information
>3w9a Chain D (length=238) Species:
240176
(Coprinopsis cinerea okayama7#130) [
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GRIVWDGSFNNYTTPADFDRWSWANQVGTYQWYIKGSGPTSRYLNLDPSY
KNPAITSELRGLKVTIDTTATWNSQMMRTELIPQTNANLGQGNLFYHFSI
KRTNTNAPDPTLEHQVMFFESHFTELKYGVGSNPSNLGWYAGGTERWSTP
FTADTWFNFAYDIDFTAKTVGLWASTNGNPLVKVVQNVPANTFTDSRDFH
VGVLRIVNRNPPEDWYVSGVYIEEGPITTQIGDGAAAL
Ligand information
Ligand ID
GOL
InChI
InChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2
InChIKey
PEDCQBHIVMGVHV-UHFFFAOYSA-N
SMILES
Software
SMILES
OpenEye OEToolkits 1.7.0
C(C(CO)O)O
ACDLabs 12.01
CACTVS 3.370
OCC(O)CO
Formula
C3 H8 O3
Name
GLYCEROL;
GLYCERIN;
PROPANE-1,2,3-TRIOL
ChEMBL
CHEMBL692
DrugBank
DB09462
ZINC
ZINC000000895048
PDB chain
3w9a Chain D Residue 501 [
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Receptor-Ligand Complex Structure
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PDB
3w9a
Crystal structure of the N-terminal domain of a glycoside hydrolase family 131 protein from Coprinopsis cinerea
Resolution
1.99 Å
Binding residue
(original residue number in PDB)
Y51 E138 D216 H218
Binding residue
(residue number reindexed from 1)
Y33 E120 D198 H200
Annotation score
1
Enzymatic activity
Enzyme Commision number
?
External links
PDB
RCSB:3w9a
,
PDBe:3w9a
,
PDBj:3w9a
PDBsum
3w9a
PubMed
23711369
UniProt
A8NRB3
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