Structure of PDB 6eff Chain D Binding Site BS01

Receptor Information
>6eff Chain D (length=205) Species: 28037 (Streptococcus mitis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NDTEAPQVKSGDYVVYRGESFEYYAEITDNSGQVNNVVVRNVELDKKTNM
PYLTPDWLKYSTDNLGQPGNATVENPLRTKLYGNVPLDTVVGIYTRYIVA
TDPANNTTRMIQNPNRDGLERFVLTVKSQNEKYDPADPSVTYVNNLSNLS
TSERDAVAAAVRAANPSLPSAAKITVSQNGTVTITYPDRSTDTIPANRVV
KDLQI
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 chain6eff Chain D 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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PDB6eff Origins of glycan selectivity in streptococcal Siglec-like adhesins suggest mechanisms of receptor adaptation.
Resolution1.6 Å
Binding residue
(original residue number in PDB)		D244 E246 D271 N272 D344
Binding residue
(residue number reindexed from 1)		D2 E4 D29 N30 D102
Annotation score4
External links