Structure of PDB 1d6v Chain L Binding Site BS01

Receptor Information
>1d6v Chain L (length=211) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DIKMTQSPSSMYASLGERVTITCKASQDINSYLSWFQQKPGKSPKTLIYR
ANRLVDGVPSRFSGSGSGQDYSLTISSLEYEDMGIYYCLQYDEFPYTFGS
GTKLEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKV
DNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQG
LSSPVTKSFNR
Ligand information
Ligand IDHOP
InChIInChI=1S/C23H27NO4/c25-21-15-19(16-5-2-1-3-6-16)12-13-20(21)17-8-10-18(11-9-17)23(28)24-14-4-7-22(26)27/h1-3,5-6,8-11,19-21,25H,4,7,12-15H2,(H,24,28)(H,26,27)/t19-,20+,21-/m0/s1
InChIKeyOBWILOKKNDYPLX-HBMCJLEFSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)CCCNC(=O)c1ccc(cc1)C3CCC(c2ccccc2)CC3O
OpenEye OEToolkits 1.5.0c1ccc(cc1)[C@H]2CC[C@@H]([C@H](C2)O)c3ccc(cc3)C(=O)NCCCC(=O)O
CACTVS 3.341O[C@H]1C[C@H](CC[C@@H]1c2ccc(cc2)C(=O)NCCCC(O)=O)c3ccccc3
OpenEye OEToolkits 1.5.0c1ccc(cc1)C2CCC(C(C2)O)c3ccc(cc3)C(=O)NCCCC(=O)O
CACTVS 3.341O[CH]1C[CH](CC[CH]1c2ccc(cc2)C(=O)NCCCC(O)=O)c3ccccc3
FormulaC23 H27 N O4
Name(1S,2S,5S)2-(4-GLUTARIDYLBENZYL)-5-PHENYL-1-CYCLOHEXANOL;
OXY-COPE-HAPTEN
ChEMBL
DrugBankDB07909
ZINCZINC000006582201
PDB chain1d6v Chain H Residue 401 [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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PDB1d6v Conformational effects in biological catalysis: an antibody-catalyzed oxy-cope rearrangement.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		F36 L89 Y91
Binding residue
(residue number reindexed from 1)		F36 L89 Y91
Annotation score1
Binding affinityPDBbind-CN: -logKd/Ki=6.17,Kd=670nM
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

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:1d6v, PDBe:1d6v, PDBj:1d6v
PDBsum1d6v
PubMed10651626
UniProtP01834|IGKC_HUMAN Immunoglobulin kappa constant (Gene Name=IGKC)

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