Structure of PDB 3v0w Chain H Binding Site BS01

Receptor Information
>3v0w Chain H (length=214) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EVKLVESGGGLVQPGGSLSLSCAASGFTFSDYYMTWVRQAPGKAPEWLAL
IRNKRNGDTAEYSASVKGRFTISRDYSRSILHLQMNALRTEDSATYYCVR
QGRGYTLDYWGQGTSVTVSSAKTTAPSVYPLAPVGSSVTLGCLVKGYFPE
PVTLTWNSGSLSSGVHTFPAVLQSGLYTLSSSVTVTSSTWPSQSITCNVA
HPASSTKVDKKIEP
Ligand information
Ligand IDGM0
InChIInChI=1S/C7H15O10P/c8-1-2(9)5-6(17-18(13,14)15)3(10)4(11)7(12)16-5/h2-12H,1H2,(H2,13,14,15)/t2-,3+,4-,5+,6-,7-/m0/s1
InChIKeyJDFMKMOMBHLESC-OPTWKVKHSA-N
SMILES
SoftwareSMILES
CACTVS 3.370OC[CH](O)[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O[P](O)(O)=O
ACDLabs 12.01O=P(O)(O)OC1C(OC(O)C(O)C1O)C(O)CO
CACTVS 3.370OC[C@H](O)[C@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1O[P](O)(O)=O
OpenEye OEToolkits 1.7.6C(C(C1C(C(C(C(O1)O)O)O)OP(=O)(O)O)O)O
FormulaC7 H15 O10 P
Name4-O-phosphono-L-glycero-alpha-D-manno-heptopyranose;
4-O-phosphono-L-glycero-alpha-D-manno-heptose;
4-O-phosphono-L-glycero-D-manno-heptose;
4-O-phosphono-L-glycero-manno-heptose
ChEMBL
DrugBank
ZINC
PDB chain3v0w Chain A Residue 2 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB3v0w Antibody WN1 222-5 mimics Toll-like receptor 4 binding in the recognition of LPS.
Resolution1.73 Å
Binding residue
(original residue number in PDB)		R52C N53
Binding residue
(residue number reindexed from 1)		R55 N56
Annotation score1
External links