Structure of PDB 8oz8 Chain B Binding Site BS01

Receptor Information
>8oz8 Chain B (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 B Residue 202 [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)		H53 H55 Q59 H106 Q110
Binding residue
(residue number reindexed from 1)		H53 H55 Q59 H106 Q110
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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