Structure of PDB 6gem Chain A Binding Site BS02

Receptor Information
>6gem Chain A (length=280) Species: 1524912 (Westiella intricata UH HT-29-1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ALHFLDINATEVKKYPTAIQDIIINRSFDGMIIRGVFPRDTMEQVARCLE
EGNDGGMKSILNKNEEFGTKVAQIYGHAIVGQSPDLKDYFASSAIFRQAC
RTMFQGSPDFEEQVESIFHSLSELPVEIPTGPEGQTYTPATIRLLLEGRE
IAVHVGNDFLLMPAANHLKTLLDLSDQLSYFIPLTVPEAGGELVVYSLEW
NPQEASKYAQMQEYMDDVESKIKSNQSQSVAYAPGPGDMLLFNGGRYYHR
VSEVIGNSPRRTIGGFLAFSKQRNKIYYWS
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 chain6gem Chain A Residue 302 [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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PDB6gem Directed Evolution of an FeII-Dependent Halogenase for Asymmetric C(sp3)-H Chlorination
Resolution3.462 Å
Binding residue
(original residue number in PDB)		H164 S189 F252 H259 R270 T272
Binding residue
(residue number reindexed from 1)		H154 S179 F242 H249 R260 T262
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:6gem, PDBe:6gem, PDBj:6gem
PDBsum6gem
PubMed
UniProtA0A075X7F9

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