Structure of PDB 8twt Chain B Binding Site BS03

Receptor Information

>8twt Chain B (length=233) Species: 1550245 (Aetokthonos hydrillicola) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

MMKAILQLILEKRQEFEKLPCFEFVRDETISPEERLILYPCIAAFALNFR
DLNRYDYRDDNSSDYYQKIINIHTQEDAKHWEWFLNDLELLGFDKTMRFS
EALRFVWSDDLLHTRRLCHNIAVLSHDLEPVMKMVVIEAMETAGLVIFHA
LAKPGESIAKATRRKYLYVADSHVEVETENIITILEQTQLSSEQEEKAKE
IVNKVFQWSTNLIGEFERYVKAHRSEKAQPTAA

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

8twt Chain B Residue 305 [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	8twt A single diiron enzyme catalyses the oxidative rearrangement of tryptophan to indole nitrile
Resolution	2.3 Å
Binding residue (original residue number in PDB)	H72 D76 E140 E176
Binding residue (residue number reindexed from 1)	H73 D77 E141 E177
Annotation score	4

External links

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

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