Structure of PDB 5ybl Chain A Binding Site BS02

Receptor Information
>5ybl Chain A (length=272) Species: 227321 (Aspergillus nidulans FGSC A4) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LQKFPATAPADEIYAAFKEDGCVIIEGFVPPDQMARFSQEIQPAMEKIQV
QVTNSNDRVKRFSKLVTTSPTFRHEILENDLMHELLQRVFSKPGEGMGYH
FNDTMVIEVQPGAPAQRLHRDQELYPWWNSMGPDAPECLVNFFCAVTPFT
VENGATRLVPGSNRWPELTLIDCPQYDSVPAIMQPGDCYMMSGKVIHGAG
HNATLSDQRRALAFSTIRRELRPVQAFPLWIPMQIATELSPRTQAMFGFR
SSVHFWGNDGKDIGEHLGLISS
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 chain5ybl Chain A Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5ybl Structure function and engineering of multifunctional non-heme iron dependent oxygenases in fungal meroterpenoid biosynthesis.
Resolution2.108 Å
Binding residue
(original residue number in PDB)		H130 F154 T167 H214 A216 R226
Binding residue
(residue number reindexed from 1)		H119 F143 T156 H197 A199 R209
Annotation score5
Enzymatic activity
Enzyme Commision number 1.14.11.-
Gene Ontology
Molecular Function
GO:0046872 metal ion binding
GO:0051213 dioxygenase activity
Biological Process
GO:0016114 terpenoid biosynthetic process
GO:1900560 austinol biosynthetic process
GO:1900563 dehydroaustinol biosynthetic process
Cellular Component
GO:0005575 cellular_component

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5ybl, PDBe:5ybl, PDBj:5ybl
PDBsum5ybl
PubMed29317628
UniProtQ5AR34|AUSE_EMENI Multifunctional dioxygenase ausE (Gene Name=ausE)

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