Structure of PDB 3b2d Chain C Binding Site BS02

Receptor Information
>3b2d Chain C (length=139) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AWPTHVVCSDSGLEVLYQSCDPLQDFGFSVEKCSKQLKSNINIRFGIILR
EDIKELFLDLALMSQGSSVLNFSYPICEAALPKFSFCGRRKGEQIYYAGP
VNNPEFTIPQGEYQVLLELYTEKRSTVACANATIMCSEF
Ligand information
Ligand IDMAN
InChIInChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5+,6+/m1/s1
InChIKeyWQZGKKKJIJFFOK-PQMKYFCFSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C1C(C(C(C(O1)O)O)O)O)O
CACTVS 3.341OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
CACTVS 3.341OC[C@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1O
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O
ACDLabs 10.04OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namealpha-D-mannopyranose;
alpha-D-mannose;
D-mannose;
mannose
ChEMBLCHEMBL365590
DrugBank
ZINCZINC000003860903
PDB chain3b2d Chain E Residue 5 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3b2d Crystal Structures of Mouse and Human RP105/MD-1 Complexes Reveal Unique Dimer Organization of the Toll-Like Receptor Family.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		D84 Y145 R149
Binding residue
(residue number reindexed from 1)		D59 Y120 R124
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005515 protein binding
Biological Process
GO:0006954 inflammatory response
GO:0006955 immune response
GO:0031663 lipopolysaccharide-mediated signaling pathway
GO:0031666 positive regulation of lipopolysaccharide-mediated signaling pathway
GO:0045087 innate immune response
Cellular Component
GO:0005576 extracellular region

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Molecular Function
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Cellular Component
External links
PDB RCSB:3b2d, PDBe:3b2d, PDBj:3b2d
PDBsum3b2d
PubMed21959264
UniProtO95711|LY86_HUMAN Lymphocyte antigen 86 (Gene Name=LY86)

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