Structure of PDB 6o6l Chain D Binding Site BS02

Receptor Information

>6o6l Chain D (length=402) Species: 981222 (Chloracidobacterium thermophilum B) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

DRKAWQRHYRAVRAVSEAICQPLETEDYVVQPMPDVSPPKWHLGHTSWFF
ETFILKSGLADYRPFHPRYDYIFNSYYEAVGARHPRPQRGLLTRPTVSEV
YAYRAHVDAAVERFIAHSDTRTWAALQPILELGLHHEQQHQELLLTDIKA
ILATNPLDPVYRPTGDWHIVEGGRYAIGHAGRGFAFDNEGPRHDVLLRPC
RIAARPVTNGEFLAFMADGGYRRPELWLSDGWAAVTARGWEAPLYWRQAA
DGTWETLTLHGVQPVAPYEPVCHISFYEADAYARWAGKRLPTEAEWEVVA
ARLPVTGNFYESGVLHPRPVSVSAAFYGDVWVWTASPYVGYPGFRPVSGA
LGEYNGKFMCNQMVLRGGSCATSLTHIRSTYRNFFPPDARWQFTGVRLAE
DM

Ligand information

Ligand ID

InChI

InChI=1S/Fe/q+3

InChIKey

VTLYFUHAOXGGBS-UHFFFAOYSA-N

SMILES

Software	SMILES
ACDLabs 10.04 CACTVS 3.341 OpenEye OEToolkits 1.5.0	[Fe+3]

Formula

Name

FE (III) ION

PDB chain

6o6l Chain D Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	6o6l Crystal Structure of the Ergothioneine Sulfoxide Synthase fromCandidatus Chloracidobacterium thermophilumand Structure-Guided Engineering To Modulate Its Substrate Selectivity.
Resolution	2.25 Å
Binding residue (original residue number in PDB)	H62 H153 H157
Binding residue (residue number reindexed from 1)	H45 H136 H140
Annotation score	4

Enzymatic activity

Enzyme Commision number

Gene Ontology

	Molecular Function
GO:0046872	metal ion binding

	Biological Process
GO:0052699	ergothioneine biosynthetic process

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Molecular Function

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Biological Process

External links

PDB	RCSB:6o6l, PDBe:6o6l, PDBj:6o6l
PDBsum	6o6l
PubMed	32257583
UniProt	G2LET6

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