Structure of PDB 3cfw Chain A Binding Site BS01

Receptor Information
>3cfw Chain A (length=156) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
WTYHYSEKPMNWQRARRFCRDNYTDLVAIQNKAEIEYLEKTLPFSRSYYW
IGIRKIGGIWTWVGTNKSLTEEAENWGDGEPNNKKNKEDCVEIYIKRNKD
AGKWNDDACHKLKAALCYTASCQPWSCSGHGECVEIINNYTCNCDVGYYG
PQCQFV
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 chain3cfw Chain A Residue 207 [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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PDB3cfw Glycan Bound to the Selectin Low Affinity State Engages Glu-88 to Stabilize the High Affinity State under Force.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		E80 N82 E88 N105 D106
Binding residue
(residue number reindexed from 1)		E80 N82 E88 N105 D106
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:3cfw, PDBe:3cfw, PDBj:3cfw
PDBsum3cfw
PubMed28011641
UniProtP14151|LYAM1_HUMAN L-selectin (Gene Name=SELL)

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