Structure of PDB 3q7h Chain I Binding Site BS01

Receptor Information

>3q7h Chain I (length=189) Species: 360115 (Coxiella burnetii RSA 331)

LVPMVVEQTERAYDIYSRLLKDRVIFLVGQVEDHMANLAIAQMLFLESEN
PNKDINLYINSPGGAVTSAMAIYDTMQFVKPDVRTLCIGQAASAGALLLA
GGAKGKRHCLPHSSVMIHQVLGGYQGQGTDIQIHAKQTQRVSDQLNQILA
KHTGKDIERVEKDTNRDYFLTPEEAVEYGLIDSIFKERP

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: 3q7h Chain I Residue 200

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3q7h Structure of the ClpP subunit of the ATP-dependent Clp Protease from Coxiella burnetii
• Resolution: 2.5 Å
• Binding residue (original residue number in PDB): M82 V85 P87
• Binding residue (residue number reindexed from 1): M76 V79 P81
• Annotation score: 4

Enzymatic activity

• Catalytic site (original residue number in PDB): G70 S99 A100 H124 D173
• Catalytic site (residue number reindexed from 1): G64 S93 A94 H118 D167
• 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: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:3q7h, PDBe:3q7h, PDBj:3q7h
• PDBsum: 3q7h
• UniProt: Q83DJ2|CLPP_COXBU ATP-dependent Clp protease proteolytic subunit (Gene Name=clpP)