Structure of PDB 1hup Chain A Binding Site BS04

Receptor Information
>1hup Chain A (length=141) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AASERKALQTEMARIKKWLTFSLGKQVGNKFFLTNGEIMTFEKVKALCVK
FQASVATPRNAAENGAIQNLIKEEAFLGITDEKTEGQFVDLTGNRLTYTN
WNEGEPNNAGSDEDCVLLLKNGQWNDVPCSTSHLAVCEFPI
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 chain1hup Chain A Residue 305 [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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PDB1hup Human mannose-binding protein carbohydrate recognition domain trimerizes through a triple alpha-helical coiled-coil.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		N189 E190 Q210
Binding residue
(residue number reindexed from 1)		N102 E103 Q123
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:1hup, PDBe:1hup, PDBj:1hup
PDBsum1hup
PubMed7634089
UniProtP11226|MBL2_HUMAN Mannose-binding protein C (Gene Name=MBL2)

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