Structure of PDB 5ckq Chain A Binding Site BS01

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 303 [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)		Y187 E216 D226 D263 S265 G266
Binding residue
(residue number reindexed from 1)		Y186 E215 D225 D262 S264 G265
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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