Structure of PDB 6k8m Chain E Binding Site BS02

Receptor Information

>6k8m Chain E (length=279) Species: 37998 (Parengyodontium album)

AAQTNAPWGLARISSTSPGTSTYYYDESAGQGSCVYVIDTGIEASHPEFE
GRAQMVKTYYYSSRDGNGHGTHCAGTVGSRTYGVVKKTQLFGVKVLDDNG
SGQYSTIIAGMDFVASDKNNRNCPKGVVASLSLGGGYSSSVNSAAARLQS
SGVMVAVAAGNNNADARNYSPASEPSVCTVGASDRYDRRSSFSNYGSVLD
IFGPGTSILSTWIGGSTRSISGTSMATPHVAGLAAYLMTLGKTTAASACR
YIADTANKGDLSNIPFGTVNLLAYNNYQA

Ligand information

• Ligand ID: TOU
• InChI: InChI=1S/CH4N2S/c2-1(3)4/h(H4,2,3,4)
• InChIKey: UMGDCJDMYOKAJW-UHFFFAOYSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: C(=S)(N)N
  CACTVS 3.341: NC(N)=S
  ACDLabs 10.04: S=C(N)N
• Formula: C H4 N2 S
• Name: THIOUREA
• ChEMBL: CHEMBL260876
• ZINC: ZINC000008437745
• PDB chain: 6k8m Chain E Residue 302

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6k8m High resolution crystal structure of proteinase K with thiourea
• Resolution: 1.45 Å
• Binding residue (original residue number in PDB): D184 Y186 R188
• Binding residue (residue number reindexed from 1): D184 Y186 R188
• 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:6k8m, PDBe:6k8m, PDBj:6k8m
• PDBsum: 6k8m
• UniProt: P06873|PRTK_PARAQ Proteinase K (Gene Name=PROK)