Structure of PDB 1g1q Chain A Binding Site BS01

Receptor Information
>1g1q Chain A (length=160) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
WTYHYSTKAYSWNISRKYCQNRYTDLVAIQNKNEIDYLNKVLPYYSSYYW
IGIRKNNKTWTWVGTKKALTNEAENWADNEPNNKRNNEDCVEIYIKSPSA
PGKWNDEHCLKKKHALCYTASCQDMSCSKQGECLETIGNYTCSCYPGFYG
PECEYVRDDD
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 chain1g1q Chain A Residue 801 [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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PDB1g1q 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.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		E80 N82 N105 D106
Binding residue
(residue number reindexed from 1)		E80 N82 N105 D106
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:1g1q, PDBe:1g1q, PDBj:1g1q
PDBsum1g1q
PubMed11081633
UniProtP16109|LYAM3_HUMAN P-selectin (Gene Name=SELP)

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