Structure of PDB 5h81 Chain B Binding Site BS02

Receptor Information

>5h81 Chain B (length=354) Species: 4058 (Catharanthus roseus)

PVEAYGWAAKDTSGLLSPFKFLRRTTGEHDVQFKVLYCGLCDWDVITTKN
TYGTTKYPFVPGHEIMGIVTEIGNKVKKFKVGDKVGVGNFIGSCGKCERC
NEGLEPYCPKVIYTDGTAFSDENNTVYGDVSGDGEDRIYGGYSNIMVANE
YVVFRWPENLPLAAGVPILCGGIVPYSPMRHFGLDKPGLSIGVVGFGRIG
KLAVKFAKAFGANVTVISTSISKKQEAIEKYGVDRFLISKEPEEMKAAES
TLDGIFDCVPSVHPLHPLLNLLKFEGTFVMLGVSPLLMGRRKFVGSISGT
MKETQEMLDFAAKHNIVSDIELIPMDYVNTALERIAKGNHKDAFVIDIEN
TLKS

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: 5h81 Chain B Residue 1001

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5h81 Structural investigation of heteroyohimbine alkaloid synthesis reveals active site elements that control stereoselectivity.
• Resolution: 2.1 Å
• Binding residue (original residue number in PDB): C48 H70 E71 C177
• Binding residue (residue number reindexed from 1): C41 H63 E64 C170
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): A359
• Catalytic site (residue number reindexed from 1): A343

Gene Ontology

Molecular Function

• GO:0000166 nucleotide binding
• 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:5h81, PDBe:5h81, PDBj:5h81
• PDBsum: 5h81
• PubMed: 27418042
• UniProt: A0A1C7D193