Structure of PDB 5ckq Chain A Binding Site BS03

Receptor Information
>5ckq Chain A (length=276) Species: 10116 (Rattus norvegicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HTVELNEMFGQIQSPGYPDSYPSDSEVTWNITVPEFRVQLYFMHFNLESS
YLCEYDYVKVETEDQVLATFCGRETTDTEQTPGQEVVLSPGSFMSVTFRS
DFSNEERFTGFDAHYMAVDVDECKEREDEELSCDHYCHNYIGGYYCSCRF
GYILHTDNRTCRVECSGNLFTQRTGTITSPDYPNPYPKSSECSYTIDLEE
GFMVTLHFEDIFDIEDHPEVPCPYDYIKIKAGSKVWGPFCGEKSPEPIST
QSHSIQILFRSDNSGENRGWRLSYRA
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 chain5ckq Chain A Residue 305 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5ckq Flexibility in Mannan-Binding Lectin-Associated Serine Proteases-1 and -2 Provides Insight on Lectin Pathway Activation.
Resolution3.704 Å
Binding residue
(original residue number in PDB)		E49 D57 D102 S104 N105
Binding residue
(residue number reindexed from 1)		E48 D56 D101 S103 N104
Annotation score4
Enzymatic activity
Enzyme Commision number 3.4.21.-
Gene Ontology
Molecular Function
GO:0005509 calcium ion binding

View graph for
Molecular Function
External links
PDB RCSB:5ckq, PDBe:5ckq, PDBj:5ckq
PDBsum5ckq
PubMed28111019
UniProtQ8CHN8|MASP1_RAT Mannan-binding lectin serine protease 1 (Gene Name=Masp1)

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