Structure of PDB 8ci9 Chain C Binding Site BS01

Receptor Information
>8ci9 Chain C (length=306) Species: 93608 (Sinopodophyllum hexandrum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LRLPVIDLSMKNLKPGTTSWNSVRTQVREALEEYGCFEAVIDAVSPELQK
AVCNKGHELLNLPLETKMLNGNKPEYDGFTSIPNLNEGMGVGRITDLEKV
ERFTNLMWPEGNKDFCETVYSYGKRMAEVDHILKMMVFESFGMEKHFDSF
CESTNYLLHFMRYQQPGKDGRSPALSLHKDKSILTIVNQNDVKGLEFETK
DGEWILPTADNHIVLLGDCFMAWSNGRLHSPLHRVTLVANQARLSTSSFS
FPKDIIETPAELVDEEHPLLFNPFEITELLAYCFTKEGAKAVCDLKQYKA
YTGALE
Ligand information
Ligand IDFE
InChIInChI=1S/Fe/q+3
InChIKeyVTLYFUHAOXGGBS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341
OpenEye OEToolkits 1.5.0
[Fe+3]
FormulaFe
NameFE (III) ION
ChEMBL
DrugBankDB13949
ZINC
PDB chain8ci9 Chain C Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8ci9 Structure and mutation of deoxypodophyllotoxin synthase (DPS) from Podophyllum hexandrum
Resolution1.41 Å
Binding residue
(original residue number in PDB)
H184 D186 H239
Binding residue
(residue number reindexed from 1)
H178 D180 H233
Annotation score1
Enzymatic activity
Enzyme Commision number 1.14.20.8: (-)-deoxypodophyllotoxin synthase.
Gene Ontology
Molecular Function
GO:0016706 2-oxoglutarate-dependent dioxygenase activity
GO:0046872 metal ion binding
GO:0051213 dioxygenase activity
Biological Process
GO:0009611 response to wounding
GO:0009699 phenylpropanoid biosynthetic process

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Molecular Function

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Biological Process
External links
PDB RCSB:8ci9, PDBe:8ci9, PDBj:8ci9
PDBsum8ci9
PubMed
UniProtA0A0N9HQ36|2ODD_SINHE Deoxypodophyllotoxin synthase (Gene Name=2-ODD)

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