Structure of PDB 1ziv Chain A Binding Site BS01

Receptor Information

>1ziv Chain A (length=308) Species: 9606 (Homo sapiens)

SFEQMRQECLQRGTLFEDADFPASNSSLFYSPQIPFVWKRPGEIVKNPEF
ILGGATRTDICQGELGDCWLLAAIASLTLNQKALARVIPQDQSFGPGYAG
IFHFQFWQHSEWLDVVIDDRLPTFRDRLVFLHSADHNEFWSALLEKAYAK
LNGSYEALKGGSAIEAMEDFTGGVAETFQTKEAPENFYEILEKALKRGSL
LGCFIDTRSAAESEARTPFGLIKGHAYSVTGIDQVSFRGQRIELIRIRNP
WGQVEWNGSWSDSSPEWRSVGPAEQKRLCHTALDDGEFWMAFKDFKAHFD
KVEICNLT

Ligand information

• Ligand ID: CA
• InChI: InChI=1S/Ca/q+2
• InChIKey: BHPQYMZQTOCNFJ-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Ca++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Ca+2]
• Formula: Ca
• Name: CALCIUM ION
• DrugBank: DB14577
• PDB chain: 1ziv Chain A Residue 1

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1ziv The crystal structures of human calpains 1 and 9 imply diverse mechanisms of action and auto-inhibition.
• Resolution: 2.31 Å
• Binding residue (original residue number in PDB): E284 D291 L312 D314 E316
• Binding residue (residue number reindexed from 1): E255 D262 L283 D285 E287
• Annotation score: 4

Enzymatic activity

• Catalytic site (original residue number in PDB): Q91 C97 H254 N278 W280
• Catalytic site (residue number reindexed from 1): Q62 C68 H225 N249 W251
• Enzyme Commision number: 3.4.22.-

Gene Ontology

Molecular Function

• GO:0004198 calcium-dependent cysteine-type endopeptidase activity

Biological Process

• GO:0006508 proteolysis

External links

• PDB: RCSB:1ziv, PDBe:1ziv, PDBj:1ziv
• PDBsum: 1ziv
• PubMed: 17157313
• UniProt: O14815|CAN9_HUMAN Calpain-9 (Gene Name=CAPN9)