Structure of PDB 6bjd Chain C Binding Site BS03

Receptor Information
>6bjd Chain C (length=306) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EKTFEQLHKKCLEKKVLYVDPEFPPDETSLFYSQKFQFVWKRPPEICENP
RFIIDGANRTDICQGELGDCWFLAAIACLTLNQHLLFRVIPHDQSFIENY
AGIFHFQFWRYGEWVDVVIDDCLPTYNNQLVFTKSNHRNEFWSALLEKAY
AKLHGSYEALKGGNTTEAMEDFTGGVAEFFEIRDAPSDMYKIMKKAIERG
SLMGCSIDDGYETRMACGLVRGHAYSVTGLDEVPFKGEKVKLVRLRNPWG
QVEWNGSWSDRWKDWSFVDKDEKARLQHQVTEDGEFWMSYEDFIYHFTKL
EICNLT
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 chain6bjd Chain C Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB6bjd Structures of human calpain-3 protease core with and without bound inhibitor reveal mechanisms of calpain activation.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		E364 D371 T392 D394 E396
Binding residue
(residue number reindexed from 1)		E253 D260 T281 D283 E285
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) Q123 C129 H334 N358 W360
Catalytic site (residue number reindexed from 1) Q64 C70 H223 N247 W249
Enzyme Commision number 3.4.22.54: calpain-3.
Gene Ontology
Molecular Function
GO:0004198 calcium-dependent cysteine-type endopeptidase activity
Biological Process
GO:0006508 proteolysis

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:6bjd, PDBe:6bjd, PDBj:6bjd
PDBsum6bjd
PubMed29382717
UniProtP20807|CAN3_HUMAN Calpain-3 (Gene Name=CAPN3)

[Back to BioLiP]