Structure of PDB 5ckn Chain D Binding Site BS01

Receptor Information
>5ckn Chain D (length=278) Species: 10116 (Rattus norvegicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SKWPEPVFGRLVSPGFPEKYGNHQDRSWTLTAPPGFRLRLYFTHFNLELS
YRCEYDFVKLTSGTKVLATLCGQESTDTERAPGNDTFYSLGPSLKVTFHS
DYSNEKPFTGFEAFYAAEDVDECRTSLGDSVPCDHYCHNYLGGYYCSCRV
GYILHQNKHTCSALCSGQVFTGRSGFLSSPEYPQPYPKLSSCAYNIRLEE
GFSITLDFVESFDVEMHPEAQCPYDSLKIQTDKREYGPFCGKTLPPRIET
DSNKVTITFTTDESGNHTGWKIHYTSTA
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 chain5ckn Chain D Residue 300 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5ckn Flexibility in Mannan-Binding Lectin-Associated Serine Proteases-1 and -2 Provides Insight on Lectin Pathway Activation.
Resolution2.6 Å
Binding residue
(original residue number in PDB)		E48 D56 D101 S103 N104
Binding residue
(residue number reindexed from 1)		E48 D56 D101 S103 N104
Annotation score4
Enzymatic activity
Enzyme Commision number 3.4.21.104: mannan-binding lectin-associated serine protease-2.
Gene Ontology
Molecular Function
GO:0005509 calcium ion binding

View graph for
Molecular Function
External links
PDB RCSB:5ckn, PDBe:5ckn, PDBj:5ckn
PDBsum5ckn
PubMed28111019
UniProtQ9JJS8|MASP2_RAT Mannan-binding lectin serine protease 2 (Gene Name=Masp2)

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