Structure of PDB 3w57 Chain B Binding Site BS03

Receptor Information
>3w57 Chain B (length=111) Species: 52904 (Scophthalmus maximus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HMQLRLYNLRVRGLPSDLMGITDGYVKVFCGSANLGETSVNHNNANPWWT
EEFSHFKAQENDILRLEVHDEDTFFDDLLGVCQRQIKVGTHEHDCYLKEG
GTLHYMYTLSV
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 chain3w57 Chain B Residue 203 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3w57 Defining the interaction of perforin with calcium and the phospholipid membrane.
Resolution1.662 Å
Binding residue
(original residue number in PDB)		D35 D88 D90 D95
Binding residue
(residue number reindexed from 1)		D17 D70 D72 D77
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0022829 wide pore channel activity
GO:0046872 metal ion binding
Biological Process
GO:0001771 immunological synapse formation
GO:0001913 T cell mediated cytotoxicity
GO:0051607 defense response to virus
GO:0055085 transmembrane transport

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Molecular Function
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Biological Process
External links
PDB RCSB:3w57, PDBe:3w57, PDBj:3w57
PDBsum3w57
PubMed24070258
UniProtE2FYL5

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