Structure of PDB 4opp Chain D Binding Site BS01

Receptor Information

>4opp Chain D (length=171) Species: 9838 (Camelus dromedarius)

EDPPACGSIVPRREWRALASECRERLTRPVRYVVVSHTAGSHCDTPASCA
QQAQNVQSYHVRNLGWCDVGYNFLIGEDGLVYEGRGWNIKGAHAGPTWNP
ISIGISFMGNYMNRVPPPRALRAAQNLLACGVALGALRSNYEVKGHRDVQ
PTLSPGDRLYEIIQTWSHYRA

Ligand information

• Ligand ID: 11Z
• InChI: InChI=1S/C17H32O2/c18-17(19)15-11-6-4-2-1-3-5-8-12-16-13-9-7-10-14-16/h16H,1-15H2,(H,18,19)
• InChIKey: WFTPSUGFEZHCGU-UHFFFAOYSA-N
• SMILES:
  ACDLabs 12.01: O=C(O)CCCCCCCCCCC1CCCCC1
  CACTVS 3.385: OC(=O)CCCCCCCCCCC1CCCCC1
  OpenEye OEToolkits 1.7.6: C1CCC(CC1)CCCCCCCCCCC(=O)O
• Formula: C17 H32 O2
• Name: 11-cyclohexylundecanoic acid
• PDB chain: 4opp Chain B Residue 201

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4opp Crystal structure of the ternary complex of camel peptidoglycan recognition protein PGRP-S with 11-cyclohexylundecanoic acid and N- acetylglucosamine at 2.30 A resolution
• Resolution: 2.3 Å
• Binding residue (original residue number in PDB): R31 R138
• Binding residue (residue number reindexed from 1): R31 R138
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): Y71 T152
• Catalytic site (residue number reindexed from 1): Y71 T152

Gene Ontology

Molecular Function

• GO:0008270 zinc ion binding
• GO:0008745 N-acetylmuramoyl-L-alanine amidase activity
• GO:0016019 peptidoglycan immune receptor activity
• GO:0042834 peptidoglycan binding

Biological Process

• GO:0001818 negative regulation of cytokine production
• GO:0009253 peptidoglycan catabolic process
• GO:0016045 detection of bacterium
• GO:0042742 defense response to bacterium
• GO:0045087 innate immune response
• GO:0050830 defense response to Gram-positive bacterium

Cellular Component

• GO:0005576 extracellular region

External links

• PDB: RCSB:4opp, PDBe:4opp, PDBj:4opp
• PDBsum: 4opp
• UniProt: Q9GK12|PGRP1_CAMDR Peptidoglycan recognition protein 1 (Gene Name=PGLYRP1)