Structure of PDB 6nah Chain H Binding Site BS04

Receptor Information

>6nah Chain H (length=174) Species: 487 (Neisseria meningitidis)

DIYSRLLKERIVFLVGPVTDESANLVVAQLLFLESENPDKDIFFYINSPG
GSVTAGMSIYDTMNFIKPDVSTLCLGQAASMGAFLLSAGEKGKRFALPNS
RIMIHQPLISLGGQASDIEIHARELLKIKEKLNRLMAKHCDRDLADLERD
TDRDNFMSAEEAKEYGLIDQILEN

Ligand information

• Ligand ID: OCA
• InChI: InChI=1S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10)
• InChIKey: WWZKQHOCKIZLMA-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04: O=C(O)CCCCCCC
  OpenEye OEToolkits 1.5.0: CCCCCCCC(=O)O
  CACTVS 3.341: CCCCCCCC(O)=O
• Formula: C8 H16 O2
• Name: OCTANOIC ACID (CAPRYLIC ACID)
• ChEMBL: CHEMBL324846
• DrugBank: DB04519
• ZINC: ZINC000001530416
• PDB chain: 6nah Chain l Residue 101

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6nah ClpP protease activation results from the reorganization of the electrostatic interaction networks at the entrance pores.
• Resolution: 2.7 Å
• Binding residue (original residue number in PDB): F54 S57
• Binding residue (residue number reindexed from 1): F32 S35
• Annotation score: 1

Enzymatic activity

• 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:6nah, PDBe:6nah, PDBj:6nah
• PDBsum: 6nah
• PubMed: 31925204
• UniProt: Q9JZ38|CLPP_NEIMB ATP-dependent Clp protease proteolytic subunit (Gene Name=clpP)