Structure of PDB 8a3n Chain A Binding Site BS03

Receptor Information
>8a3n Chain A (length=351) Species: 4058 (Catharanthus roseus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DLSVKAVGWGAADASGVLQPIKFYRRVPGERDVKIRVLYSGVCNFDMEMV
RNKWGFTRYPYVFGHETAGEVVEVGSKVEKFKVGDKVAVGCMVGSCGQCY
NCQSGMENYCPEPNMADGSVYQGERSYGGCSNVMVVDEKFVLRWPENLPQ
DKGVALLCAGVVVYSPMKHLGLDKPGKHIGVFGLGGLGSVAVKFIKAFGG
KATVISTSRRKEKEAIEEHGADAFVVNTDSEQLKALAGTMDGVVDTTPGG
RTPMSLMLNLLKFDGAVMLVGAPESLFELPAAPLIMGRKKIIGSSTGGLK
EYQEMLDFAAKHNIVCDTEVIGIDYLSTAMERIKNLDVKYRFAIDIGNTL
K
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 chain8a3n Chain A Residue 1002 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8a3n Expansion of the Catalytic Repertoire of Alcohol Dehydrogenases in Plant Metabolism.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		C104 C107 C110 C118
Binding residue
(residue number reindexed from 1)		C96 C99 C102 C110
Annotation score1
Enzymatic activity
Enzyme Commision number 1.3.1.36: geissoschizine 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:0047920 geissoschizine dehydrogenase activity
Biological Process
GO:0009753 response to jasmonic acid
GO:0009809 lignin biosynthetic process
GO:0010272 response to silver ion
GO:0035834 indole alkaloid metabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:8a3n, PDBe:8a3n, PDBj:8a3n
PDBsum8a3n
PubMed36198083
UniProtW8JWW7|GS_CATRO Geissoschizine synthase (Gene Name=GS)

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