Structure of PDB 4nao Chain A Binding Site BS01

Receptor Information
>4nao Chain A (length=282) Species: 5111 (Claviceps purpurea) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GTKRFSIQSDPVEIHRAIVEDGVAIIEGFLTPEQVQKLNKDVDAPLKADR
EQFWLADFIPDHVARVHNLVDFSHCFRHEILNHELLHKICRLTFEESGDY
WLGYGAVIENGPGTTEQKWHRDQPRYPLVKEGPDAPEGMLNFFTALTDFD
AETGKTQYILGSNKRVELGEPDADHPIEYVGLKPGDTTIVSGKITHRGSD
NRSDKMRRAMPIMIIPSILTPFDATCHLSRELVETMTPLAQKMICRRSVM
IPAKTGIWCVNMREAGEQIGLKSNQRAKEDAE
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 chain4nao Chain A Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB4nao Cyclolization of d-lysergic Acid alkaloid peptides.
Resolution1.649 Å
Binding residue
(original residue number in PDB)		Q138 H141 F164 T177 H217 R228
Binding residue
(residue number reindexed from 1)		Q117 H120 F143 T156 H196 R207
Annotation score4
Enzymatic activity
Enzyme Commision number 1.14.11.-
Gene Ontology
Molecular Function
GO:0046872 metal ion binding
GO:0051213 dioxygenase activity
Biological Process
GO:0009820 alkaloid metabolic process
GO:0035835 indole alkaloid biosynthetic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:4nao, PDBe:4nao, PDBj:4nao
PDBsum4nao
PubMed24361048
UniProtG8GV69|EASH_CLAP2 Dioxygenase easH (Gene Name=easH)

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