Structure of PDB 8ux5 Chain B Binding Site BS01

Receptor Information

>8ux5 Chain B (length=448) Species: 86177 (Vreelandella utahensis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

DRESLIQALHHTRDRVKDLVCSLREDQLSVPYHPGVNPPVWEMGHSTFFY
EVFVLNWLDGTPSYDPSMDDLWDSFHMDHEDRWSKTLFPSREDTLAYMDT
IIQRMEDRIRNQPLTDEALYLYRYAIYHQNMHVESMTWCRQTVGYPAPPF
AEPKGLTGEGVDQDARGDATIPAGRYLIGLPANRDSDAYATEDFGFDNEK
PAFEVDMPEFSISRTLVTNGEFQKFVEEGGYERPEFWSQGGRKWLEREIN
LNFGSGEPPLMGRQTHPFHWRKRDGRWYERVFDQWLPLEPGHPVKQISYW
EAEAFCAWAGRRLPSEYEWEVAALANKPGEERRRYPWGNEMDPAKLDMDQ
RYMGRVPVTAFPAGESPFGCRQMLGTVWEWTGNQFMPYDGFSVDMYPFYS
TLQFATHKTTKGGGCAASSMLIRGTYRNFYHPDRCDVYTGFRTCALSS

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

8ux5 Chain B Residue 501 [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	8ux5 Discovery of the selenium-containing antioxidant ovoselenol derived from convergent evolution
Resolution	3.06 Å
Binding residue (original residue number in PDB)	H47 H130 H134
Binding residue (residue number reindexed from 1)	H45 H128 H132
Annotation score	4

External links

PDB	RCSB:8ux5, PDBe:8ux5, PDBj:8ux5
PDBsum	8ux5
PubMed	39143299
UniProt	A0A9X4Y9G9

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