Structure of PDB 3poi Chain A Binding Site BS01

Receptor Information
>3poi Chain A (length=113) Species: 10116 (Rattus norvegicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ECSGNLFTQRTGTITSPDYPNPYPKSSECSYTIDLEEGFMVTLQFEDIFD
IEDHPEVPCPYDYIKIKAGSKVWGPFCGEKSPEPISTQSHSIQILFRSDN
SGENRGWRLSYRA
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 chain3poi Chain A Residue 1 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3poi Structural Basis of Mannan-Binding Lectin Recognition by Its Associated Serine Protease MASP-1: Implications for Complement Activation.
Resolution1.701 Å
Binding residue
(original residue number in PDB)		E216 D226 D263 S265
Binding residue
(residue number reindexed from 1)		E52 D62 D99 S101
Annotation score4
Enzymatic activity
Enzyme Commision number 3.4.21.-
External links
PDB RCSB:3poi, PDBe:3poi, PDBj:3poi
PDBsum3poi
PubMed22078562
UniProtQ8CHN8|MASP1_RAT Mannan-binding lectin serine protease 1 (Gene Name=Masp1)

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