Structure of PDB 8tww Chain A Binding Site BS03

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 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 chain8tww Chain A Residue 303 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8tww A single diiron enzyme catalyses the oxidative rearrangement of tryptophan to indole nitrile
Resolution2.0 Å
Binding residue
(original residue number in PDB)		H72 D76 E176
Binding residue
(residue number reindexed from 1)		H78 D82 E182
Annotation score4
External links