Structure of PDB 8oz8 Chain D Binding Site BS01

Receptor Information
>8oz8 Chain D (length=131) Species: 940615 (Granulicella tundricola) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MEIKRVGSQASGKGPADWFTGTVRIDPLFQAPDPALVAGASVTFEPGART
AWHTHPLGQTLIVTAGCGWAQREGGAVEEIHPGDVVWFSPGEKHWAGAAP
TTAMTHLAIQERLDGKAVDWMEHVTDEQYRR
Ligand information
Ligand IDNM2
InChIInChI=1S/C7H15NO2/c1-8(2,3)6-4-5-7(9)10/h4-6H2,1-3H3/p+1
InChIKeyJHPNVNIEXXLNTR-UHFFFAOYSA-O
SMILES
SoftwareSMILES
CACTVS 3.352C[N+](C)(C)CCCC(O)=O
OpenEye OEToolkits 1.6.1C[N+](C)(C)CCCC(=O)O
ACDLabs 10.04O=C(O)CCC[N+](C)(C)C
FormulaC7 H16 N O2
Name3-CARBOXY-N,N,N-TRIMETHYLPROPAN-1-AMINIUM
ChEMBL
DrugBank
ZINCZINC000000395560
PDB chain8oz8 Chain D Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8oz8 Can a Hydroxynitrile Lyase Catalyze an Oxidative Cleavage?
Resolution1.85 Å
Binding residue
(original residue number in PDB)		H55 Q59 H106
Binding residue
(residue number reindexed from 1)		H55 Q59 H106
Annotation score1
Enzymatic activity
Enzyme Commision number 4.1.2.10: (R)-mandelonitrile lyase.
Gene Ontology
Molecular Function
GO:0016829 lyase activity
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:8oz8, PDBe:8oz8, PDBj:8oz8
PDBsum8oz8
PubMed
UniProtE8WYN5|MDL_GRATM (R)-mandelonitrile lyase (Gene Name=AciX9_0562)

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