Structure of PDB 3t6q Chain B Binding Site BS01

Receptor Information
>3t6q Chain B (length=601) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QKCIEKEVNKTYNCENLGLNEIPGTLPNSTECLEFSFNVLPTIQNTTFSR
LINLTFLDLTRCQIYWIHEDTFQSQHRLDTLVLTANPLIFMAETALSGPK
ALKHLFFIQTGISSIDFIPLHNQKTLESLYLGSNHISSIKLPKGFPTEKL
KVLDFQNNAIHYLSKEDMSSLQQATNLSLNLNGNDIAGIEPGAFDSAVFQ
SLNFGGTQNLLVIFKGLKNSTIQSLWLGTFEDMDDEDISPAVFEGLCEMS
VESINLQKHYFFNISSNTFHCFSGLQELDLTATHLSELPSGLVGLSTLKK
LVLSANKFENLCQISASNFPSLTHLSIKGNTKRLELGTGCLENLENLREL
DLSHDDIETSDCCNLQLRNLSHLQSLNLSYNEPLSLKTEAFKECPQLELL
DLAFTRLKVKDAQSPFQNLHLLKVLNLSHSLLDISSEQLFDGLPALQHLN
LQGNHFPKGNIQKTNSLQTLGRLEILVLSFCDLSSIDQHAFTSLKMMNHV
DLSHNRLTSSSIEALSHLKGIYLNLASNHISIILPSLLPILSQQRTINLR
QNPLDCTCSNIYFLEWYKENMQKLEDTEDTLCENPPLLRGVRLSDVTLSC
S
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 chain3t6q Chain H Residue 5 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3t6q Crystal Structures of Mouse and Human RP105/MD-1 Complexes Reveal Unique Dimer Organization of the Toll-Like Receptor Family.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		H379 Y405
Binding residue
(residue number reindexed from 1)		H354 Y380
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005515 protein binding
Biological Process
GO:0002322 B cell proliferation involved in immune response
GO:0006954 inflammatory response
GO:0031663 lipopolysaccharide-mediated signaling pathway
GO:0031666 positive regulation of lipopolysaccharide-mediated signaling pathway
GO:0045087 innate immune response
GO:0071222 cellular response to lipopolysaccharide
Cellular Component
GO:0005654 nucleoplasm
GO:0005730 nucleolus
GO:0005886 plasma membrane
GO:0072686 mitotic spindle

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3t6q, PDBe:3t6q, PDBj:3t6q
PDBsum3t6q
PubMed21959264
UniProtQ62192|CD180_MOUSE CD180 antigen (Gene Name=Cd180)

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