Structure of PDB 5z0c Chain A Binding Site BS01

Receptor Information

>5z0c Chain A (length=367) Species: 488003 (Persicaria minor)

EEHTVKAVGWAARDPSGHLSPFTFSRRATGELDVTFKVLYCGICHSDLHY
IKNEWSNTIYPALPGHEIVGEVTEVGSKVNKFKVGDKVGVGCIVGSCHSC
PNCNNHLENYCPNRILTFGSRYYDGTLNHGGYSDLMVVQEHFAVRIPDAL
PLDSAAPLLCAGITVYSPLRYYGLDKPGLHVGVVGLGGLGHMAVKFAKAF
GVKVTVVSTSPAKKEDAISGLGAHSFILSTDAEQMQAAVGTMDGIIDTVS
ASHPLPPLISLLKSHGKLVMVGDPPKPLELPVFPLLLGRKMVAGSAIGGM
KETQEMIDFAAKEGVRADVEVIPMDYVNTAMQRVSKSDVKYRFVIDIGNT
FNDSLISSEVEHHHHHH

Ligand information

• Ligand ID: ZN
• InChI: InChI=1S/Zn/q+2
• InChIKey: PTFCDOFLOPIGGS-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Zn++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Zn+2]
• Formula: Zn
• Name: ZINC ION
• ChEMBL: CHEMBL1236970
• DrugBank: DB14532
• PDB chain: 5z0c Chain A Residue 401

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5z0c Structural and kinetic studies of a novel nerol dehydrogenase from Persicaria minor, a nerol-specific enzyme for citral biosynthesis.
• Resolution: 1.54 Å
• Binding residue (original residue number in PDB): C104 C107 C110 C118
• Binding residue (residue number reindexed from 1): C97 C100 C103 C111
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): C51 S53 H56 H73 C167
• Catalytic site (residue number reindexed from 1): C44 S46 H49 H66 C160

Gene Ontology

Molecular Function

• GO:0008270 zinc ion binding
• GO:0016491 oxidoreductase activity
• GO:0016616 oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor
• GO:0045551 cinnamyl-alcohol dehydrogenase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0009809 lignin biosynthetic process

External links

• PDB: RCSB:5z0c, PDBe:5z0c, PDBj:5z0c
• PDBsum: 5z0c
• PubMed: 29304481
• UniProt: J7JYU1