Structure of PDB 2nr9 Chain A Binding Site BS02

Receptor Information

>2nr9 Chain A (length=192) Species: 281310 (Haemophilus influenzae 86-028NP)

FLAQQGKITLILTALCVLIYIAQQLGFEDDIMYLMHYPAYEEQDSEVWRY
ISHTLVHLSNLHILFNLSWFFIFGGMIERTFGSVKLLMLYVVASAITGYV
QNYVSGPAFFGLSGVVYAVLGYVFIRDKLNHHLFDLPEGFFTMLLVGIAL
GFISPLFGVEMGNAAHISGLIVGLIWGFIDSKLRKNSLELVP

Ligand information

• Ligand ID: PQE
• InChI: InChI=1S/C29H60O8/c1-2-3-4-5-6-7-8-9-10-12-16-31-21-24-35-26-28-37-29-27-36-25-22-33-18-14-11-13-17-32-20-23-34-19-15-30/h30H,2-29H2,1H3
• InChIKey: GEEFJAPPTAALTR-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04: O(CCCCCOCCOCCO)CCOCCOCCOCCOCCCCCCCCCCCC
  CACTVS 3.341
  OpenEye OEToolkits 1.5.0: CCCCCCCCCCCCOCCOCCOCCOCCOCCCCCOCCOCCO
• Formula: C29 H60 O8
• Name: 3,6,12,15,18,21,24-HEPTAOXAHEXATRIACONTAN-1-OL;
  ANAPOE-C12E8
• ZINC: ZINC000058638364
• PDB chain: 2nr9 Chain A Residue 204

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2nr9 The crystal structure of the rhomboid peptidase from Haemophilus influenzae provides insight into intramembrane proteolysis.
• Resolution: 2.2 Å
• Binding residue (original residue number in PDB): N166 W179 I182
• Binding residue (residue number reindexed from 1): N163 W176 I179
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 3.4.21.105: rhomboid protease.

Gene Ontology

Molecular Function

• GO:0004252 serine-type endopeptidase activity
• GO:0008236 serine-type peptidase activity
• GO:0042802 identical protein binding

Biological Process

• GO:0006508 proteolysis

Cellular Component

• GO:0005886 plasma membrane
• GO:0016020 membrane

External links

• PDB: RCSB:2nr9, PDBe:2nr9, PDBj:2nr9
• PDBsum: 2nr9
• PubMed: 17210913
• UniProt: P44783|GLPG_HAEIN Rhomboid protease GlpG (Gene Name=glpG)