Structure of PDB 8u42 Chain B Binding Site BS01

Receptor Information

>8u42 Chain B (length=446) Species: 86177 (Vreelandella utahensis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

MNDRESLIQALHHTRDRVKDLVCSLREDQLSVPYHPGVNPPVWEMGHSTF
FYEVFVLNWLDGTPSYDPSMDDLWDSFHMDHEDRWSKTLFPSREDTLAYM
DTIIQRMEDRIRNQPLTDEALYLYRYAIYHQNMHVESMTWCRQTVGYPAP
PFAEPKGLGVDQDARGDATIPAGRYLIGLPANRDSDAYATEDFGFDNEKP
AFEVDMPEFSISRTLVTNGEFQKFVEEGGYERPEFWSQGGRKWLEREINL
NFGSGEPPLMGRQTHPFHWRKRDGRWYERVFDQWLPLEPGHPVKQISYWE
AEAFCAWAGRRLPSEYEWEVAALANKPGEERRRYPWGNEMDPAKLDMDQR
YMGRVPVTAFPAGESPFGCRQMLGTVWEWTGNQFMPYDGFSVDMYPFMST
LQFATHKTTKGGGCAASSMLIRGTYRQAYHPDRCDVYTGFRTCALS

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

8u42 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	8u42 Discovery of the selenium-containing antioxidant ovoselenol derived from convergent evolution
Resolution	2.0 Å
Binding residue (original residue number in PDB)	H47 H130 H134
Binding residue (residue number reindexed from 1)	H47 H130 H134
Annotation score	4

External links

PDB	RCSB:8u42, PDBe:8u42, PDBj:8u42
PDBsum	8u42
PubMed	39143299
UniProt	A0A9X4Y9G9

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