Structure of PDB 1ht3 Chain A Binding Site BS01

Receptor Information

>1ht3 Chain A (length=279) Species: 37998 (Parengyodontium album)

AAQTNAPWGLARISSTSPGTSTYYYDESAGQGSCVYVIDTGIEASHPEFE
GRAQMVKTYYYSSRDGNGHGTHCAGTVGSRTYGVVKKTQLFGVKVLDDNG
SGQYSTIIAGMDFVASDKNNRNCPKGVVASLSLGGGYSSSVNSAAARLQS
SGVMVAVAAGNNNADARNYSPASEPSVCTVGASDRYDRRSSFSNYGSVLD
IFGPGTSILSTWIGGSTRSISGTSMATPHVAGLAAYLMTLGKTTAASACR
YIADTANKGDLSNIPFGTVNLLAYNNYQA

Ligand information

• Ligand ID: HG
• InChI: InChI=1S/Hg/q+2
• InChIKey: BQPIGGFYSBELGY-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Hg++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Hg+2]
• Formula: Hg
• Name: MERCURY (II) ION
• PDB chain: 1ht3 Chain A Residue 280

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1ht3 Mercury induced modifications in the stereochemistry of the active site through Cys-73 in a serine protease--crystal structure of the complex of a partially modified proteinase K with mercury at 1.8 A resolution
• Resolution: 1.8 Å
• Binding residue (original residue number in PDB): H72 C73 M225
• Binding residue (residue number reindexed from 1): H72 C73 M225
• Annotation score: 1

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:1ht3, PDBe:1ht3, PDBj:1ht3
• PDBsum: 1ht3
• PubMed: 11886076
• UniProt: P06873|PRTK_PARAQ Proteinase K (Gene Name=PROK)