Structure of PDB 6f39 Chain A Binding Site BS01

Receptor Information
>6f39 Chain A (length=275) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PQKLFGEVTSPLFPKPYPNNFETTTVITVPTGYRVKLVFFDLEPSEGCFY
DYVKISKSLGRFCGQLGSPLGNPPGKKEFMSQGNKMLLTFHTDFSNEENG
TIYKGFLAYYQDLDECASRSKSGEEDPQPQCQHLCHNYVGGYFCSCRPGY
ELQEDTHSCQECSSELYTEASGYISSLEYPRSYPPDLRCNYSIRVERGLT
LHLKFLEPFDIDDHQQVHCPYDQLQIYANGKNIGEFCGKQRPPDLDTSSN
AVDLLFFTDESGDSRGWKLRYTTEI
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 chain6f39 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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PDB6f39 Structure of the C1r-C1s interaction of the C1 complex of complement activation.
Resolution5.801 Å
Binding residue
(original residue number in PDB)		D57 T101 D102 S104 N105
Binding residue
(residue number reindexed from 1)		D51 T92 D93 S95 N96
Annotation score4
Enzymatic activity
Enzyme Commision number 3.4.21.41: complement subcomponent C1r.
Gene Ontology
Molecular Function
GO:0005509 calcium ion binding

View graph for
Molecular Function
External links
PDB RCSB:6f39, PDBe:6f39, PDBj:6f39
PDBsum6f39
PubMed29311313
UniProtP00736|C1R_HUMAN Complement C1r subcomponent (Gene Name=C1R)

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