Structure of PDB 1hup Chain A Binding Site BS01

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 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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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)		D168 E172 N195 E200 D201
Binding residue
(residue number reindexed from 1)		D81 E85 N108 E113 D114
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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