Structure of PDB 3ogx Chain C Binding Site BS01

Receptor Information
>3ogx Chain C (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 IDSGN
InChIInChI=1S/C6H13NO11S2/c8-4-2(1-17-20(14,15)16)18-6(10)3(5(4)9)7-19(11,12)13/h2-10H,1H2,(H,11,12,13)(H,14,15,16)/t2-,3-,4-,5-,6+/m1/s1
InChIKeyDQTRACMFIGDHSN-UKFBFLRUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)NS(=O)(=O)O)O)O)OS(=O)(=O)O
CACTVS 3.341O[CH]1O[CH](CO[S](O)(=O)=O)[CH](O)[CH](O)[CH]1N[S](O)(=O)=O
OpenEye OEToolkits 1.5.0C(C1C(C(C(C(O1)O)NS(=O)(=O)O)O)O)OS(=O)(=O)O
ACDLabs 10.04O=S(=O)(O)OCC1OC(O)C(NS(=O)(=O)O)C(O)C1O
CACTVS 3.341O[C@H]1O[C@H](CO[S](O)(=O)=O)[C@@H](O)[C@H](O)[C@H]1N[S](O)(=O)=O
FormulaC6 H13 N O11 S2
Name2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose;
N,O6-DISULFO-GLUCOSAMINE;
6-O-sulfo-N-sulfo-alpha-D-glucosamine;
2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucose;
2-deoxy-6-O-sulfo-2-(sulfoamino)-D-glucose;
2-deoxy-6-O-sulfo-2-(sulfoamino)-glucose
ChEMBL
DrugBankDB03959
ZINC
PDB chain3ogx Chain E Residue 1 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3ogx Structural basis of heparin binding to camel peptidoglycan recognition protein-S
Resolution2.8 Å
Binding residue
(original residue number in PDB)		E24 W66 K90 A92 G95 N99
Binding residue
(residue number reindexed from 1)		E24 W66 K90 A92 G95 N99
Annotation score4
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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Biological Process
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Cellular Component
External links
PDB RCSB:3ogx, PDBe:3ogx, PDBj:3ogx
PDBsum3ogx
PubMed22509483
UniProtQ9GK12|PGRP1_CAMDR Peptidoglycan recognition protein 1 (Gene Name=PGLYRP1)

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