Structure of PDB 4m00 Chain A Binding Site BS04

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 803 [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)		D661 T663 D690 N691 D734
Binding residue
(residue number reindexed from 1)		D411 T413 D440 N441 D484
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005509 calcium ion binding
Cellular Component
GO:0016020 membrane

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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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