Structure of PDB 8vii Chain A Binding Site BS01

Receptor Information

>8vii Chain A (length=449) Species: 43989 (Crocosphaera subtropica ATCC 51142) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

SHMSFIKSQLPIFLNNCTQDSVINYFQNSWELENILMRSIIDDETFYINP
DPLRNPLIFYLGHSAAFYINKLIRVELLEKGINSDYEILFEFGVDPENAE
ELNQAIAHINWPDVRQVWDYRNKAYEVILEVIKNTTFDLPIHASHPLWAL
MMGMEHQRIHFETSSMLLRQLPTEKVEKPQGWQYAPSQGVPNTNKMILVE
GGTVTLGKAKDNPLYGWDCEYGDRLVKVDSFFASQYLVTNGEFLEFINRK
GYETQSYWNEKSWQWKEENKVKNPKFWQFNNGKYSYRAMFDEIPLPLDWP
VEVNYYEAMAYCGWKGKGTRLMSEAEWNLAAYGSNNYQVDIEKVNDYNLN
LKFGSPSPVGLVKTAQSHSGLWDLRGNVWEWLDENFHPLPGFEPHFLYED
NSAPFFDNNHKMMLGGAWVTQGTETLKYYRNWFRPNFYQHAGFRIVTNH

Ligand information

Ligand ID

InChI

InChI=1S/Mn/q+2

InChIKey

WAEMQWOKJMHJLA-UHFFFAOYSA-N

SMILES

Software	SMILES
ACDLabs 10.04 OpenEye OEToolkits 1.5.0	[Mn+2]
CACTVS 3.341	[Mn++]

Formula

Name

MANGANESE (II) ION

PDB chain

8vii Chain A Residue 502 [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	8vii Structural insights into the convergent evolution of type IV sulfoxide synthase EgtB, an ergothioneine-biosynthetic homolog of ovothiol synthase OvoA
Resolution	1.621 Å
Binding residue (original residue number in PDB)	H61 H154 H158
Binding residue (residue number reindexed from 1)	H63 H156 H160
Annotation score	4

External links

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

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