Structure of PDB 8aut Chain B Binding Site BS02

Receptor Information
>8aut Chain B (length=275) 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]
ALHFLDINATEVKKYPTAIQDIIINRSFDGMIIRGVFPRDTMEQVARCLE
EGNDGGMKSILNKNEEFGTKVAQIYGHAIVGQSPDLKDYFASSAIFRQAC
RTMFQGSPDFEEQVESIFHSLSGLPVEIPTGPEGQTYTPATIRLLLEGRE
IAVHVGNDFLLMPAANHLKTLLDLSDQLSYFIPLTVPEAGGELVVYNLEW
NPQSADAHKYIDEVESKFKNQSQSVAYAPGPGDMLLFNGGRYYHRVSEVI
GNSPRRTIGGFLAFSKERNKIYYWS
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 chain8aut Chain B Residue 303 [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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PDB8aut Enzyme engineering enables inversion of substrate stereopreference of the halogenase WelO5*
Resolution2.685 Å
Binding residue
(original residue number in PDB)		R153 H164 S189 F191 H259 R270 T272
Binding residue
(residue number reindexed from 1)		R143 H154 S179 F181 H244 R255 T257
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:8aut, PDBe:8aut, PDBj:8aut
PDBsum8aut
PubMed
UniProtA0A075X7C6

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