Structure of PDB 4ak8 Chain B Binding Site BS01

Receptor Information
>4ak8 Chain B (length=128) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GWKYFKGNFYYFSLIPKTWYSAEQFCVSRNSHLTSVTSESEQELLYKTAG
GLIYWIGLTKAGMEGDWSWVDDTPFNKVQSARFWIPGEPNNAGNNEHCGN
IKAPSLQAWNDAPCDKTFLFICKRPYVP
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 chain4ak8 Chain B Residue 1326 [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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PDB4ak8 Alteration of the Langerin Oligomerization State Affects Birbeck Granule Formation.
Resolution1.4 Å
Binding residue
(original residue number in PDB)		E285 N287 E293 N307 D308
Binding residue
(residue number reindexed from 1)		E88 N90 E96 N110 D111
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:4ak8, PDBe:4ak8, PDBj:4ak8
PDBsum4ak8
PubMed25650933
UniProtQ9UJ71|CLC4K_HUMAN C-type lectin domain family 4 member K (Gene Name=CD207)

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