Structure of PDB 8tww Chain A Binding Site BS02

Receptor Information

>8tww Chain A (length=244) Species: 1550245 (Aetokthonos hydrillicola) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

PRGSHMMKAILQLILEKRQEFEKLPCFEFVRDETISPEERLILYPCIAAF
ALNFRDLNRYDYRDDNSSDYYQKIINIHTQEDAKHWEWFLNDLELLGFDK
TMRFSEALRFVWSDDLLHTRRLCHNIAVLSHDLEPVMKMVVIEAMETAGL
VIFHALAKPGESIAKATRRKYLYVADSHVEVETGHAVGTENIITILEQTQ
LSSEQEEKAKEIVNKVFQWSTNLIGEFERYVKAHRSEKAQPTAA

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

8tww Chain A Residue 302 [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	8tww A single diiron enzyme catalyses the oxidative rearrangement of tryptophan to indole nitrile
Resolution	2.0 Å
Binding residue (original residue number in PDB)	H79 H172 E176
Binding residue (residue number reindexed from 1)	H85 H178 E182
Annotation score	4

External links

PDB	RCSB:8tww, PDBe:8tww, PDBj:8tww
PDBsum	8tww
PubMed
UniProt	A0A861B387

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