Structure of PDB 3wh2 Chain A Binding Site BS01

Receptor Information
>3wh2 Chain A (length=132) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NCCPLNWEYFQSSCYFFSTDTKSWALSLKNCSAMGAHLVVINSQEEQEFL
SYKKPKMREFFIGLSDQVVEGQWQWVDGTPLTKSLSFWDVGEPNNIATLE
DCATMRDSSNPRQNWNDVTCFLNYFRICEMVG
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 chain3wh2 Chain A Residue 301 [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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PDB3wh2 Structural analysis for glycolipid recognition by the C-type lectins Mincle and MCL
Resolution1.3 Å
Binding residue
(original residue number in PDB)		E169 N171 N193 D194
Binding residue
(residue number reindexed from 1)		E92 N94 N116 D117
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:3wh2, PDBe:3wh2, PDBj:3wh2
PDBsum3wh2
PubMed24101491
UniProtQ9ULY5|CLC4E_HUMAN C-type lectin domain family 4 member E (Gene Name=CLEC4E)

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