Structure of PDB 3st9 Chain B Binding Site BS01

Receptor Information

>3st9 Chain B (length=170) Species: 196620 (Staphylococcus aureus subsp. aureus MW2)

YDIYSRLLKDRIIMLGSQIDDNVANSIVSQLLFLQAQDSEKDIYLYINSP
GGSVTAGFAIYDTIQHIKPDVQTICIGMAASMGSFLLAAGAKGKRFALPN
AEVMIHQPGQATEIEIAANHILKTREKLNRILSERTGQSIEKIQKDTDRD
NFLTAEEAKEYGLIDEVMVP

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: 3st9 Chain B Residue 196

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3st9 Structural switching of Staphylococcus aureus Clp protease: a key to understanding protease dynamics
• Resolution: 2.43 Å
• Binding residue (original residue number in PDB): K58 D59
• Binding residue (residue number reindexed from 1): K41 D42
• Annotation score: 4

Enzymatic activity

• Catalytic site (original residue number in PDB): G69 S98 M99 H123 D172
• Catalytic site (residue number reindexed from 1): G52 S81 M82 H106 D150
• Enzyme Commision number: 3.4.21.92: endopeptidase Clp.

Gene Ontology

Molecular Function

• GO:0004176 ATP-dependent peptidase activity
• GO:0004252 serine-type endopeptidase activity
• GO:0008236 serine-type peptidase activity
• GO:0042802 identical protein binding
• GO:0051117 ATPase binding

Biological Process

• GO:0006508 proteolysis
• GO:0006515 protein quality control for misfolded or incompletely synthesized proteins

Cellular Component

• GO:0005737 cytoplasm
• GO:0009368 endopeptidase Clp complex

External links

• PDB: RCSB:3st9, PDBe:3st9, PDBj:3st9
• PDBsum: 3st9
• PubMed: 21900233
• UniProt: P63786|CLPP_STAAW ATP-dependent Clp protease proteolytic subunit (Gene Name=clpP)