Structure of PDB 6efi Chain B Binding Site BS01

Receptor Information
>6efi Chain B (length=208) Species: 888819 (Streptococcus sanguinis SK678) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ANAVDTEAPQVKTGDYVVYRGESFEFYAEITDNSGQVNDVVVRNVELDKK
TSQPYLTPGFIKFSTDNLGLPGNATVQNPLRTKIFGTVPLNEGIGYYTRY
VVPTDSNGNTTRMVQNDNRNGLERFIITIKTQNEKYNPADPAITYVNQLS
NLSQAERDAVAAAVRTANPQIPAAARITVSANGTVTITYPDSSTDTIPAD
RVVKDLAS
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 chain6efi Chain B Residue 501 [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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PDB6efi Origins of glycan selectivity in streptococcal Siglec-like adhesins suggest mechanisms of receptor adaptation.
Resolution1.715 Å
Binding residue
(original residue number in PDB)		D257 E259 D284 N285 D357
Binding residue
(residue number reindexed from 1)		D5 E7 D32 N33 D105
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links