Structure of PDB 4m00 Chain A Binding Site BS02

Receptor Information
>4m00 Chain A (length=501) 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]
TTAVTANTITVNKDNLKQYMTTSGNATYDQSTGIVTLTQDAYSQKGAITL
GTRIDSNKSFHFSGKVNLGNKYEGHGNGGDGIGFAFSPGVLGETGLNGAA
VGIGGLSNAFGFKLDTYHNTSKPNSAAKANADPSNVAGGGAFGAFVTTDS
YGVATTYTSSSTADNAAKLNVQPTNNTFQDFDINYNGDTKVMTVKYAGQT
WTRNISDWIAKSGTTNFSLSMTASTGGATNLQQVQFGTFEYTESAVTQVR
YVDVTTGKDIIPPKTYSGNVDQVVTIDNQQSALTAKGYNYTSVDSSYAST
YNDTNKTVKMTNAGQSVTYYFTDVKAPTVTVGNQTIEVGKTMNPIVLTTT
DNGTGTVTNTVTGLPSGLSYDSATNSIIGTPTKIGQSTVTVVSTDQANNK
STTTFTINVVDTTAPTVTPIGDQSSEVYSPISPIKIATQDNSGNAVTNTV
TGLPSGLTFDSTNNTISGTPTNIGTSTISIVSTDASGNKTTTTFKYEVTR
N
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 chain4m00 Chain A Residue 801 [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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PDB4m00 Structural Insights into SraP-Mediated Staphylococcus aureus Adhesion to Host Cells
Resolution2.05 Å
Binding residue
(original residue number in PDB)		D365 Y367 N369 D382
Binding residue
(residue number reindexed from 1)		D115 Y117 N119 D132
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005509 calcium ion binding
Cellular Component
GO:0016020 membrane

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:4m00, PDBe:4m00, PDBj:4m00
PDBsum4m00
PubMed24901708
UniProtQ2FUW1|SRAP_STAA8 Serine-rich adhesin for platelets (Gene Name=sraP)

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