Structure of PDB 8sjb Chain D Binding Site BS01

Receptor Information
>8sjb Chain D (length=91) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MSQLERNIETIINTFHQYSVKLGHPDTLNQGEFKELVRKDLQNFLKKENK
NEKVIEHIMEDLDTNADKQLSFEEFIMLMARLTWASNEKMN
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 chain8sjb Chain D Residue 201 [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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PDB8sjb Crystal structure of Zn2+ bound calprotectin
Resolution1.74 Å
Binding residue
(original residue number in PDB)		D64 N66 D68 Q70 E75
Binding residue
(residue number reindexed from 1)		D63 N65 D67 Q69 E74
Annotation score4
External links
PDB RCSB:8sjb, PDBe:8sjb, PDBj:8sjb
PDBsum8sjb
PubMed
UniProtP06702|S10A9_HUMAN Protein S100-A9 (Gene Name=S100A9)

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