Structure of PDB 2nqa Chain B Binding Site BS03

Receptor Information
>2nqa Chain B (length=318) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NALKYLGQDFKTLRQQCLDSGVLFKDPEFPACPSALGYKDLGPGPQTQGI
IWKRPTELCPSPQFIVGGATRTDICQGGLGDCWLLAAIASLTLNEELLYR
VVPRDQDFQENYAGIFHFQFWQYGEWVEVVIDDRLPTKNGQLLFLHSEQG
NEFWSALLEKAYAKLNGCYEALAGGSTVEGFEDFTGGSEFYDLKKPPANL
YQIIRKALCAGSLLGCSIDVYSAAEAEAITSQKLVKSHAYSVTGVEEVNF
QGHPEKLIRLRNPWGEEWSGAWSDDAPEWNHIDPRRKEELDKKVEDGEFW
MSLSDFVRQFSRLEICNL
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 chain2nqa Chain B Residue 902 [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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PDB2nqa Structure of Human Calpain 8
Resolution2.2 Å
Binding residue
(original residue number in PDB)		E292 D299 V319 D321 E323
Binding residue
(residue number reindexed from 1)		E267 D274 V294 D296 E298
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) Q99 C105 H262 N286 W288
Catalytic site (residue number reindexed from 1) Q76 C82 H238 N262 W264
Enzyme Commision number 3.4.22.53: calpain-2.
Gene Ontology
Molecular Function
GO:0004198 calcium-dependent cysteine-type endopeptidase activity
Biological Process
GO:0006508 proteolysis

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Molecular Function
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Biological Process
External links
PDB RCSB:2nqa, PDBe:2nqa, PDBj:2nqa
PDBsum2nqa
PubMed
UniProtA6NHC0|CAN8_HUMAN Calpain-8 (Gene Name=CAPN8)

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