Structure of PDB 8qf6 Chain B Binding Site BS02

Receptor Information
>8qf6 Chain B (length=398) Species: 469008 (Escherichia coli BL21(DE3)) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SDRKAWQRHYRAVRAVSEAICQPLETEDYVVQPMPDVSPPKWHLGHTSWF
FETFILKSGLADYRPFHPRYDYIFNHPRPQRGLLTRPTVSEVYAYRAHVD
AAVERFIAHSDTRTWAALQPILELGLHHEQQHQELLLTDIKAILATNPLD
PVYRPQPPTGDWHIVEGGRYAIGHAGRGFAFDNEGPRHDVLLRPCRIAAR
PVTNGEFLAFMADGGYRRPELWLSDGWAAVTARGWEAPLYWRQAADGTWE
TLTLHGVQPVAPYEPVCHISFYEADAYARWAGKRLPTEAEWEVVAARLPV
TGNFYESGVLHPRPVSVSAAFYGDVWVWTASPYVGYPGFRPVSGALGEYN
GKFMCNQMVLRGGSCATSLTHIRSTYRNFFPPDARWQFTGVRLAEDMS
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 chain8qf6 Chain B Residue 502 [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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PDB8qf6 Catalytic mechanism analysis of sulfoxide synthase via inhibition assay
Resolution2.2 Å
Binding residue
(original residue number in PDB)		H62 H153 H157
Binding residue
(residue number reindexed from 1)		H46 H128 H132
Annotation score4
External links