Structure of PDB 6gem Chain C Binding Site BS01

Receptor Information
>6gem Chain C (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 IDFE
InChIInChI=1S/Fe/q+3
InChIKeyVTLYFUHAOXGGBS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341
OpenEye OEToolkits 1.5.0		[Fe+3]
FormulaFe
NameFE (III) ION
ChEMBL
DrugBankDB13949
ZINC
PDB chain6gem Chain C 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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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 H259
Binding residue
(residue number reindexed from 1)		H154 H249
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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