Structure of PDB 2nqa Chain A Binding Site BS02

Receptor Information
>2nqa Chain A (length=310) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NALKYLGQDFKTLRQQCLDSGVLFKDPEFPACPSALGYTQGIIWKRPTEL
CPSPQFIVGGATRTDICQGGLGDCWLLAAIASLTLNEELLYRVVPRDQDF
QENYAGIFHFQFWQYGEWVEVVIDDRLPTKNGQLLFLHSEQGNEFWSALL
EKAYAKLNGCYEALAGGSTVEGFEDFTGGISEFYDLKKPPANLYQIIRKA
LCAGSLLGCSIDVYSAAEAEAITSQKLVKSHAYSVTGVEEVNFQGHPEKL
IRLRNPWGEEWSGAWSDDAPEWNHIDPRRKEELDKKVEDGEFWMSLSDFV
RQFSRLEICN
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 A Residue 901 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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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)		E260 D267 V287 D289 E291
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) Q99 C105 H262 N286 W288
Catalytic site (residue number reindexed from 1) Q68 C74 H231 N255 W257
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
UniProtP17655|CAN2_HUMAN Calpain-2 catalytic subunit (Gene Name=CAPN2)

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