Structure of PDB 3prk Chain E Binding Site BS02

Receptor Information

>3prk Chain E (length=279) Species: 37998 (Parengyodontium album)

AAQTNAPWGLARISSTSPGTSTYYYDESAGQGSCVYVIDTGIEASHPEFE
GRAQMVKTYYYSSRDGNGHGTHCAGTVGSRTYGVAKKTQLFGVKVLDDNG
SGQYSTIIAGMDFVASDKNNRNCPKGVVASLSLGGGYSSSVNSAAARLQS
SGVMVAVAAGNNNADARNYSPASEPSVCTVGASDRYDRRSSFSNYGSVLD
IFGPGTSILSTWIGGSTRSISGTSMATPHVAGLAAYLMTLGKTTAASACR
YIADTANKGDLSNIPFGTVNLLAYNNYQA

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: 3prk Chain E Residue 500

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3prk Inhibition of proteinase K by methoxysuccinyl-Ala-Ala-Pro-Ala-chloromethyl ketone. An x-ray study at 2.2-A resolution.
• Resolution: 2.2 Å
• Binding residue (original residue number in PDB): H69 P175 V177 D200 S224
• Binding residue (residue number reindexed from 1): H69 P175 V177 D200 S224
• Annotation score: 4

Enzymatic activity

• Catalytic site (original residue number in PDB): S224
• Catalytic site (residue number reindexed from 1): S224
• Enzyme Commision number: 3.4.21.64: peptidase K.

Gene Ontology

Molecular Function

• GO:0004252 serine-type endopeptidase activity
• GO:0008236 serine-type peptidase activity

Biological Process

• GO:0006508 proteolysis

External links

• PDB: RCSB:3prk, PDBe:3prk, PDBj:3prk
• PDBsum: 3prk
• PubMed: 1894649
• UniProt: P06873|PRTK_PARAQ Proteinase K (Gene Name=PROK)