Structure of PDB 3qcv Chain M Binding Site BS01

Receptor Information
>3qcv 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 ID18L
InChIInChI=1S/C21H39O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(23)27-18-20(22)19-28-29(24,25)26/h6-7,9-10,20,22H,2-5,8,11-19H2,1H3,(H2,24,25,26)/b7-6-,10-9-/t20-/m1/s1
InChIKeyZQTAMPRZFOOEEP-KKFOGOCZSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0CCCCCC=CCC=CCCCCCCCC(=O)OCC(COP(=O)(O)O)O
CACTVS 3.370CCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@@H](O)CO[P](O)(O)=O
OpenEye OEToolkits 1.7.0CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)O)O
CACTVS 3.370CCCCCC=CCC=CCCCCCCCC(=O)OC[CH](O)CO[P](O)(O)=O
ACDLabs 12.01O=P(OCC(O)COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(O)O
FormulaC21 H39 O7 P
Name(2R)-2-hydroxy-3-(phosphonooxy)propyl (9Z,12Z)-octadeca-9,12-dienoate;
D (+)-sn-1-O-linoleoyl-glyceryl-3-phosphate
ChEMBL
DrugBank
ZINC
PDB chain3qcv 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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PDB3qcv Biochemical and structural characterization of lysophosphatidic Acid binding by a humanized monoclonal antibody.
Resolution2.51 Å
Binding residue
(original residue number in PDB)		Y32 K50 S91 F94
Binding residue
(residue number reindexed from 1)		Y37 K55 S96 F99
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:3qcv, PDBe:3qcv, PDBj:3qcv
PDBsum3qcv
PubMed21392506
UniProtP01834|IGKC_HUMAN Immunoglobulin kappa constant (Gene Name=IGKC)

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