Structure of PDB 6k3g Chain B Binding Site BS03

Receptor Information
>6k3g Chain B (length=356) Species: 4058 (Catharanthus roseus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SPEVEHPVKAFGWAARDTSGHLSPFHFSRRATGEHDVQFKVLYCGICHSD
LHMIKNEWGFTKYPIVPGHEIVGIVTEVGSKVEKFKVGDKVGVGCLVGSC
RKCDMCTKDLENYCPGQILTYSATYTDGTTTYGGYSDLMVADEHFVIRWP
ENLPMDIGAPLLCAGITTYSPLRYFGLDKPGTHVGVVGLGGLGHVAVKFA
KAFGAKVTVISTSESKKQEALEKLGADSFLVSRDPEQMKAAAASLDGIID
TVSAIHPIMPLLSILKSHGKLILVGAPEKPLELPSFPLIAGRKIIAGSAI
GGLKETQEMIDFAAKHNVLPDVELVSMDYVNTAMERLLKADVKYRFVIDV
ANTLKS
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain6k3g Chain B Residue 403 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6k3g Structural studies on 10-hydroxygeraniol dehydrogenase: A novel linear substrate-specific dehydrogenase from Catharanthus roseus.
Resolution2.41 Å
Binding residue
(original residue number in PDB)		C103 C106 C109 C117
Binding residue
(residue number reindexed from 1)		C100 C103 C106 C114
Annotation score1
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

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Molecular Function
View graph for
Biological Process
External links
PDB RCSB:6k3g, PDBe:6k3g, PDBj:6k3g
PDBsum6k3g
PubMed32181958
UniProtQ6V4H0|10HGO_CATRO 8-hydroxygeraniol dehydrogenase (Gene Name=10HGO)

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