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Structure of PDB 4fnn Chain B Binding Site BS01

Receptor Information
>4fnn Chain B (length=171) Species: 9838 (Camelus dromedarius) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EDPPACGSIVPRREWRALASECRERLTRPVRYVVVSHTAGSHCDTPASCA
QQAQNVQSYHVRNLGWCDVGYNFLIGEDGLVYEGRGWNIKGAHAGPTWNP
ISIGISFMGNYMNRVPPPRALRAAQNLLACGVALGALRSNYEVKGHRDVQ
PTLSPGDRLYEIIQTWSHYRA
Ligand information
Ligand IDSTE
InChIInChI=1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20)
InChIKeyQIQXTHQIDYTFRH-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)CCCCCCCCCCCCCCCCC
CACTVS 3.341CCCCCCCCCCCCCCCCCC(O)=O
OpenEye OEToolkits 1.5.0CCCCCCCCCCCCCCCCCC(=O)O
FormulaC18 H36 O2
NameSTEARIC ACID
ChEMBLCHEMBL46403
DrugBankDB03193
ZINCZINC000004978673
PDB chain4fnn Chain B Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4fnn Structural basis of the binding of fatty acids to peptidoglycan recognition protein, PGRP-S through second binding site.
Resolution2.24 Å
Binding residue
(original residue number in PDB)		D2 P4 C6
Binding residue
(residue number reindexed from 1)		D2 P4 C6
Annotation score4
Binding affinityPDBbind-CN: -logKd/Ki=7.57,Kd=27.2nM
Enzymatic activity
Catalytic site (original residue number in PDB) Y71 T152
Catalytic site (residue number reindexed from 1) Y71 T152
Enzyme Commision number ?
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

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Molecular Function
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Cellular Component
External links
PDB RCSB:4fnn, PDBe:4fnn, PDBj:4fnn
PDBsum4fnn
PubMed23149273
UniProtQ9GK12|PGRP1_CAMDR Peptidoglycan recognition protein 1 (Gene Name=PGLYRP1)

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