Structure of PDB 7sjk Chain A Binding Site BS01

Receptor Information
>7sjk Chain A (length=266) Species: 93061 (Staphylococcus aureus subsp. aureus NCTC 8325) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QDTVTKKGTGNFTAHGDIIHKTYKEEFPNEGTLTAFNTNFNPNTGTKGAL
EYNDKIDFNKDFTITVPVANNNQGNTTGADGWGFMFTQGNGQDFLNQGGI
LRDKGMANASGFKIDTAYNNVNGKVDKLDADKTNNLSQIGAAKVGYGTFV
KNGADGVTNQVGQNALNTKDKPVNKIIYADNTTNHLDGQFHGQRLNDVVL
NYDAATSTITATYAGKTWKATTDDLGIDKSQKYNFLITSSHMQNRYSNGI
MRTNLEGVTITTPQAD
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain7sjk Chain A Residue 700 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB7sjk Staphylococcal Periscope proteins Aap, SasG, and Pls project noncanonical legume-like lectin adhesin domains from the bacterial surface.
Resolution1.208 Å
Binding residue
(original residue number in PDB)		D505 A507 N509 D519
Binding residue
(residue number reindexed from 1)		D115 A117 N119 D129
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:7sjk, PDBe:7sjk, PDBj:7sjk
PDBsum7sjk
PubMed36702253
UniProtP80544|PLS_STAAU Surface protein (Gene Name=pls)

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