Structure of PDB 8acv Chain B Binding Site BS01

Receptor Information
>8acv Chain B (length=276) Species: 1524913 (Hapalosiphon welwitschii UH IC-52-3) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LHFLDINATEVKKYPTAIQDIIINRSFDGMIIRGVFPRDTMEQVARCLEE
GNDGGMKSILNKNEEFGTKVAQIYGHAIVGQSPDLKDYFASSAIFRQACR
TMFQGSPDFEEQVESIFHSLSGLPVEIPTGPEGQTYTPATIRLLLEGREI
AVHVGNDFLLMPAANHLKTLLDLSDQLSYFIPLTVPEAGGELVVYNLEWN
PQEVADLHKYIDEVESKFKSNQSQSVAYAPGPGDMLLFNGGRYYHRVSEV
IGNSPRRTIGGFLAFSKERNKIYYWS
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 chain8acv Chain B Residue 301 [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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PDB8acv Enzyme engineering enables inversion of substrate stereopreference of the halogenase WelO5*
Resolution2.26 Å
Binding residue
(original residue number in PDB)		R153 H164 S189 F191 H259 R270 T272
Binding residue
(residue number reindexed from 1)		R142 H153 S178 F180 H245 R256 T258
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:8acv, PDBe:8acv, PDBj:8acv
PDBsum8acv
PubMed
UniProtA0A075X7C6

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