Structure of PDB 1egq Chain A Binding Site BS01

Receptor Information

>1egq Chain A (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: 1egq Chain A Residue 280

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1egq Enhancement of enzyme activity through three-phase partitioning: crystal structure of a modified serine proteinase at 1.5 A resolution.
• Resolution: 1.55 Å
• Binding residue (original residue number in PDB): P175 V177 D200
• Binding residue (residue number reindexed from 1): P175 V177 D200
• Annotation score: 4

Enzymatic activity

• Catalytic site (original residue number in PDB): D39 H69 N161 S224
• Catalytic site (residue number reindexed from 1): D39 H69 N161 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:1egq, PDBe:1egq, PDBj:1egq
• PDBsum: 1egq
• PubMed: 11438752
• UniProt: P06873|PRTK_PARAQ Proteinase K (Gene Name=PROK)