Structure of PDB 7smh Chain C Binding Site BS01

Receptor Information

>7smh Chain C (length=256) 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]

TPITIQGKEHFEGYGSVDIQKKPTDLGVSEVTRFNVGNESNGLIGALQLK
NKIDFSKDFNFKVRVANNHQSNTTGADGWGFLFSKGNAEEYLTNGGILGD
KGLVNSGGFKIDTGYIYTSSMDKTEKQAGQGYRGYGAFVKNDSSGNSQMV
GENIDKSKTNFLNYADNSTNTSDGKFHGQRLNDVILTYVASTGKMRAEYA
GKTWETSITDLGLSKNQAYNFLITSSQRWGLNQGINANGWMRTDLKGSEF
TFTPEA

Ligand information

Ligand ID

InChI

InChI=1S/Ca/q+2

InChIKey

BHPQYMZQTOCNFJ-UHFFFAOYSA-N

SMILES

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

Formula

Name

CALCIUM ION

PDB chain

7smh Chain C 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	7smh Staphylococcal Periscope proteins Aap, SasG, and Pls project noncanonical legume-like lectin adhesin domains from the bacterial surface.
Resolution	1.65 Å
Binding residue (original residue number in PDB)	D275 G277 D285 Q290
Binding residue (residue number reindexed from 1)	D112 G114 D122 Q127
Annotation score	4

Enzymatic activity

Enzyme Commision number

External links

PDB	RCSB:7smh, PDBe:7smh, PDBj:7smh
PDBsum	7smh
PubMed	36702253
UniProt	Q2G2B2\|SASG_STAA8 Surface protein G (Gene Name=sasG)

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