Structure of PDB 6coi Chain A Binding Site BS01

Receptor Information
>6coi Chain A (length=260) Species: 3702 (Arabidopsis thaliana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MERKHHFVLVHNACHGAWIWYKLKPLLESAGHRVTAVELAASGIDPRPIQ
AVETVDEYSKPLIETLKSLPENEEVILVGFSFGGINIALAADIFPAKIKV
LVFLNAFLPDTTHVPSHVLDKLMEMFGGWGDTEFSSHETRNGTMSLLKMG
PKFMKARLYQNCPIEDYELAKMLHRQGSFFTEDLSKKEKFSEEGYGSVQR
VYVMSSEDKIIPCDFIRWMIDNFNVSKVYEIDGGDHMVMLSKPQKLFDSL
SAIATDYMGL
Ligand information
Ligand IDHBX
InChIInChI=1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H
InChIKeyHUMNYLRZRPPJDN-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341		O=Cc1ccccc1
OpenEye OEToolkits 1.5.0c1ccc(cc1)C=O
FormulaC7 H6 O
Namebenzaldehyde
ChEMBLCHEMBL15972
DrugBank
ZINCZINC000000895145
PDB chain6coi Chain A Residue 303 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6coi AtHNL enantioselectivity mutants
Resolution2.024 Å
Binding residue
(original residue number in PDB)		N12 S81 M149 F153 F179 H236
Binding residue
(residue number reindexed from 1)		N12 S81 M149 F153 F179 H236
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) N12 S81 F82 D208 H236 M237
Catalytic site (residue number reindexed from 1) N12 S81 F82 D208 H236 M237
Enzyme Commision number 4.1.2.10: (R)-mandelonitrile lyase.
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0016829 lyase activity
GO:0046593 mandelonitrile lyase activity
Biological Process
GO:0009611 response to wounding
GO:0016139 glycoside catabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:6coi, PDBe:6coi, PDBj:6coi
PDBsum6coi
PubMed
UniProtQ9LFT6|HNL_ARATH Alpha-hydroxynitrile lyase (Gene Name=HNL)

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