Structure of PDB 3qcu Chain M Binding Site BS01

Receptor Information
>3qcu Chain M (length=218) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DVVMTQTPLSLPVTPGEPASISCTSGQSLVHINGNTYLHWYLQKPGQSPK
LLIYKVSNLFSGVPDRFSGSGSGTDFTLKISRVEAEDVGVYFCSQSTHFP
FTFGQGTKLEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAK
VQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACE
VTHQGLSSPVTKSFNRGE
Ligand information
Ligand IDNKN
InChIInChI=1S/C17H35O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(19)23-14-16(18)15-24-25(20,21)22/h16,18H,2-15H2,1H3,(H2,20,21,22)/t16-/m1/s1
InChIKeyFAZBDRGXCKPVJU-MRXNPFEDSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)O
CACTVS 3.370CCCCCCCCCCCCCC(=O)OC[CH](O)CO[P](O)(O)=O
ACDLabs 12.01O=P(OCC(O)COC(=O)CCCCCCCCCCCCC)(O)O
OpenEye OEToolkits 1.7.0CCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)O)O
CACTVS 3.370CCCCCCCCCCCCCC(=O)OC[C@@H](O)CO[P](O)(O)=O
FormulaC17 H35 O7 P
Name(2R)-2-hydroxy-3-(phosphonooxy)propyl tetradecanoate;
14:0 LPA;
myristoyl lysophosphatidic acid
ChEMBLCHEMBL1615121
DrugBank
ZINC
PDB chain3qcu Chain I Residue 215 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3qcu Biochemical and structural characterization of lysophosphatidic Acid binding by a humanized monoclonal antibody.
Resolution1.979 Å
Binding residue
(original residue number in PDB)		Y32 K50 S91 F96
Binding residue
(residue number reindexed from 1)		Y37 K55 S96 F101
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003823 antigen binding
Biological Process
GO:0002250 adaptive immune response
GO:0006955 immune response
GO:0016064 immunoglobulin mediated immune response
GO:0050853 B cell receptor signaling pathway
Cellular Component
GO:0005576 extracellular region
GO:0005615 extracellular space
GO:0005886 plasma membrane
GO:0019814 immunoglobulin complex
GO:0070062 extracellular exosome
GO:0071735 IgG immunoglobulin complex
GO:0071738 IgD immunoglobulin complex
GO:0071742 IgE immunoglobulin complex
GO:0071745 IgA immunoglobulin complex
GO:0071753 IgM immunoglobulin complex
GO:0072562 blood microparticle

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:3qcu, PDBe:3qcu, PDBj:3qcu
PDBsum3qcu
PubMed21392506
UniProtP01834|IGKC_HUMAN Immunoglobulin kappa constant (Gene Name=IGKC)

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