Structure of PDB 3whd Chain C Binding Site BS01

Receptor Information
>3whd Chain C (length=148) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MHAKLKCIKEKSTWNCCPIDWRAFQSNCYFPLTDNKTWAESERNCSGMGA
HLMTISTEAEQNFIIQFLDRRLSYFLGLRDENAKGQWRWVDQTPFNPRRV
FWHKNEPDNSQGENCVVLVYNQDKWAWNDVPCNFEASRICKIPGTTLN
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 chain3whd Chain C Residue 501 [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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PDB3whd Structural analysis for glycolipid recognition by the C-type lectins Mincle and MCL
Resolution2.29 Å
Binding residue
(original residue number in PDB)		E173 D175 N195 D196
Binding residue
(residue number reindexed from 1)		E106 D108 N128 D129
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:3whd, PDBe:3whd, PDBj:3whd
PDBsum3whd
PubMed24101491
UniProtQ8WXI8|CLC4D_HUMAN C-type lectin domain family 4 member D (Gene Name=CLEC4D)

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