Structure of PDB 8vil Chain A Binding Site BS01

Receptor Information

>8vil Chain A (length=441) Species: 43989 (Crocosphaera subtropica ATCC 51142) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

HMSFIKSQLPIFLNNCTQDSVINYFQNSWELENILMRSIIDDETFYINPD
PLRNPLIFYLGHSAAFYINKLIRVELLEKGINSDYEILFEFGDPENAEEL
NINWPDVRQVWDYRNKAYEVILEVIKNTTFDLPIHASHPLWALMMGMEHQ
RIHFETSSMLLRQLPTEKVEKPQGWQYAPSQGVPNTNKMILVEGGTVTLG
KAKDNPLYGWDCEYGDRLVKVDSFFASQYLVTNGEFLEFINRKGYETQSY
WNEKSWQWKEENKVKNPKFWQFNNGKYSYRAMFDEIPLPLDWPVEVNYYE
AMAYCGWKGKGTRLMSEAEWNLAAYGSNYQVDIEKVNDYNLNLKFGSPSP
VGLVKTAQSHSGLWDLRGNVWEWLDENFHPLPGFEPHFLYEDNSAPFFDN
NHKMMLGGAWVTQGTETLKYYRNWFRPNFYQHAGFRIVTNH

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

8vil Chain A Residue 503 [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	8vil Structural insights into the convergent evolution of type IV sulfoxide synthase EgtB, an ergothioneine-biosynthetic homolog of ovothiol synthase OvoA
Resolution	1.95 Å
Binding residue (original residue number in PDB)	H61 H154 H158
Binding residue (residue number reindexed from 1)	H62 H149 H153
Annotation score	4

External links

PDB	RCSB:8vil, PDBe:8vil, PDBj:8vil
PDBsum	8vil
PubMed	39216472
UniProt	B1WTS6

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