Structure of PDB 6ubv Chain D Binding Site BS01

Receptor Information
>6ubv Chain D (length=388) Species: 1309 (Streptococcus mutans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QADLAKYQKDLADYPVKLKAYEDEQTSIKAALAELEKHKNEDGNLTEPSA
QNLVYDLEPNANLSLTTDGKFLKASAVDDAFSKSTSKAKYDQKILQLDDL
DITNLEQSNDVASSMELYGNFGDKAGWSTTVSNNSQVKWGSVLLERGQSA
TATYTNLQNSYCNGKKISKIVYKYTVDPKSKFQGQKVWLGIFTDPTLGVF
ASAYTGQVEKNTSIFIKNEFTFYDEDGKPINFDNALLSVASLNREHNSIE
MAKDYSGKFVKISGSSIGEKNGMIYATDTLNFKQGEGGSRWTMYKNSQAG
SGWDSSDAPNSWYGAGAIKMSGPNNYVTVGATSATNVMPVSDMPVVPGKD
NTDGKKPNIWYSLNGKIRAVNVPKVTKEKPTPPVKPTA
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 chain6ubv Chain D Residue 902 [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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PDB6ubv The structure of the Streptococcus gordonii surface protein SspB in complex with TEV peptide provides clues to the adherence of oral streptococcal adherence to salivary agglutinin
Resolution2.7 Å
Binding residue
(original residue number in PDB)		S697 N699 E706
Binding residue
(residue number reindexed from 1)		S241 N243 E250
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:6ubv, PDBe:6ubv, PDBj:6ubv
PDBsum6ubv
PubMed
UniProtP11657|PAC_STRMG Major cell-surface adhesin PAc (Gene Name=pac)

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