Structure of PDB 4xca Chain B Binding Site BS01

Receptor Information
>4xca Chain B (length=242) Species: 68042 (Streptomyces hygroscopicus subsp. hygroscopicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ALTREQLYIFDTTGFLVIPGVFGSGEVESFRSELERLDRRYPDLPAASPV
FARLALDDRLLAPVRDVVNQPLRLLEGYGLRRTKDSVLYLHGGNSELLDL
GDRQVGRDLSITHTYHDGKLYCPYVKALVYLSDIQSPEDGSFCYVQGSHK
ANFPLLRERANTSLVDSGFPTLSDVFVRSGDVLLLNEALMHGTRRKLTEG
DRLLTAFGYGPTFFTEWRELDAETADLRGAGYVDHDVEEDFV
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 chain4xca Chain B Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4xca Oxidative cyclizations in orthosomycin biosynthesis expand the known chemistry of an oxygenase superfamily.
Resolution2.295 Å
Binding residue
(original residue number in PDB)		Y89 L99 Y141 H206 T208 R217
Binding residue
(residue number reindexed from 1)		Y78 L88 Y130 H191 T193 R202
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:4xca, PDBe:4xca, PDBj:4xca
PDBsum4xca
PubMed26240321
UniProtQ2MFS1

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