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BioLiP

Structure of PDB 1g1r Chain C Binding Site BS01

Receptor Information
>1g1r Chain C (length=159) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
WTYHYSTKAYSWNISRKYCQNRYTDLVAIQNKNEIDYLNKVLPYYSSYYW
IGIRKNNKTWTWVGTKKALTNEAENWADNEPNNKRNNEDCVEIYIKSPSA
PGKWNDEHCLKKKHALCYTASCQDMSCSKQGECLETIGNYTCSCYPGFYG
PECEYVRDD
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 chain1g1r Chain C 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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PDB1g1r Insights into the molecular basis of leukocyte tethering and rolling revealed by structures of P- and E-selectin bound to SLe(X) and PSGL-1.
Resolution3.4 Å
Binding residue
(original residue number in PDB)		E80 N82 N83 N105 D106
Binding residue
(residue number reindexed from 1)		E80 N82 N83 N105 D106
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:1g1r, PDBe:1g1r, PDBj:1g1r
PDBsum1g1r
PubMed11081633
UniProtP16109|LYAM3_HUMAN P-selectin (Gene Name=SELP)

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