Structure of PDB 7e37 Chain B Binding Site BS02

Receptor Information
>7e37 Chain B (length=305) Species: 93608 (Sinopodophyllum hexandrum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PLRLPVIDLSMKNLKPGTTSWNSVRTQVREALEEYGCFEAVIDAVSPELQ
KAVCNKGHELLNLPLETKMLNGNKPEYDGFTSIPNLNEGMGVGRITDLEK
VERFTNLMWPEGNKDFCETVYSYGKRMAEVDHILKMMVFESFGMEKHFDS
FCESTNYLLHFMRYQQPGKDGRSPALSLHKDKSILTIVNQNDVKGLEFET
KDGEWILPTADNHIVLLGDCFMAWSNGRLHSPLHRVTLVANQARLSTSSF
SFPKDIIETPAELVDEEHPLLFNPFEITELLAYCFTDLKQYKAYTGALEH
HHHHH
Ligand information
Ligand IDAKG
InChIInChI=1S/C5H6O5/c6-3(5(9)10)1-2-4(7)8/h1-2H2,(H,7,8)(H,9,10)
InChIKeyKPGXRSRHYNQIFN-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)C(=O)CCC(=O)O
OpenEye OEToolkits 1.7.6C(CC(=O)O)C(=O)C(=O)O
CACTVS 3.385OC(=O)CCC(=O)C(O)=O
FormulaC5 H6 O5
Name2-OXOGLUTARIC ACID
ChEMBLCHEMBL1686
DrugBankDB08845
ZINCZINC000001532519
PDB chain7e37 Chain B Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7e37 Mechanistic analysis of carbon-carbon bond formation by deoxypodophyllotoxin synthase.
Resolution2.09 Å
Binding residue
(original residue number in PDB)		Y169 L181 H184 D186 H239 V241 R249 S251
Binding residue
(residue number reindexed from 1)		Y164 L176 H179 D181 H234 V236 R244 S246
Annotation score5
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

View graph for
Molecular Function
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Biological Process
External links
PDB RCSB:7e37, PDBe:7e37, PDBj:7e37
PDBsum7e37
PubMed34969844
UniProtA0A0N9HQ36|2ODD_SINHE Deoxypodophyllotoxin synthase (Gene Name=2-ODD)

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