Structure of PDB 6k3g Chain B Binding Site BS02

Receptor Information

>6k3g Chain B (length=356) Species: 4058 (Catharanthus roseus)

SPEVEHPVKAFGWAARDTSGHLSPFHFSRRATGEHDVQFKVLYCGICHSD
LHMIKNEWGFTKYPIVPGHEIVGIVTEVGSKVEKFKVGDKVGVGCLVGSC
RKCDMCTKDLENYCPGQILTYSATYTDGTTTYGGYSDLMVADEHFVIRWP
ENLPMDIGAPLLCAGITTYSPLRYFGLDKPGTHVGVVGLGGLGHVAVKFA
KAFGAKVTVISTSESKKQEALEKLGADSFLVSRDPEQMKAAAASLDGIID
TVSAIHPIMPLLSILKSHGKLILVGAPEKPLELPSFPLIAGRKIIAGSAI
GGLKETQEMIDFAAKHNVLPDVELVSMDYVNTAMERLLKADVKYRFVIDV
ANTLKS

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: 6k3g Chain B Residue 402

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6k3g Structural studies on 10-hydroxygeraniol dehydrogenase: A novel linear substrate-specific dehydrogenase from Catharanthus roseus.
• Resolution: 2.41 Å
• Binding residue (original residue number in PDB): C50 H72 C166
• Binding residue (residue number reindexed from 1): C47 H69 C163
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): C50 S52 H55 H72 C166
• Catalytic site (residue number reindexed from 1): C47 S49 H52 H69 C163
• Enzyme Commision number: 1.1.1.324: 8-hydroxygeraniol dehydrogenase.

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
• GO:0102311 8-hydroxygeraniol dehydrogenase activity

Biological Process

• GO:0009809 lignin biosynthetic process

External links

• PDB: RCSB:6k3g, PDBe:6k3g, PDBj:6k3g
• PDBsum: 6k3g
• PubMed: 32181958
• UniProt: Q6V4H0|10HGO_CATRO 8-hydroxygeraniol dehydrogenase (Gene Name=10HGO)