Structure of PDB 4nja Chain L Binding Site BS02

Receptor Information
>4nja Chain L (length=217) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DIVLTQSPASLAVSLGQRATISCRASESVDSYGNSFMHWYQQKPGQPPKL
LIYRASNLESGIPARFSGSGSRTDFTLTINPVEADDVATYYCQQSNEDPR
TFGGGTKLEIKRADAAPTVSIFPPSSEQLTSGGASVVCFLNNFYPKDINV
KWKIDGSERQNGVLNSWTDQDSKDSTYSMSSTLTLTKDEYERHNSYTCEA
THKTSTSPIVKSFNRNE
Ligand information
Ligand ID2M9
InChIInChI=1S/C17H12O10S3/c1-27-12-6-13(28(18,19)20)9-4-5-11-15(30(24,25)26)7-14(29(21,22)23)10-3-2-8(12)16(9)17(10)11/h2-7H,1H3,(H,18,19,20)(H,21,22,23)(H,24,25,26)
InChIKeyCTERCLHSWSQHSD-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6COc1cc(c2ccc3c(cc(c4c3c2c1cc4)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O
CACTVS 3.385COc1cc(c2ccc3c4c(ccc1c24)c(cc3[S](O)(=O)=O)[S](O)(=O)=O)[S](O)(=O)=O
ACDLabs 12.01O=S(=O)(O)c1cc(OC)c4c3c1ccc2c(cc(c(c23)cc4)S(=O)(=O)O)S(=O)(=O)O
FormulaC17 H12 O10 S3
Name8-methoxypyrene-1,3,6-trisulfonic acid
ChEMBL
DrugBank
ZINCZINC000014983171
PDB chain4nja Chain H Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB4nja Adaptive Mutations Alter Antibody Structure and Dynamics during Affinity Maturation.
Resolution2.204 Å
Binding residue
(original residue number in PDB)		Y28 N30 F32 R50
Binding residue
(residue number reindexed from 1)		Y32 N34 F36 R54
Annotation score1
Binding affinityPDBbind-CN: -logKd/Ki=6.22,Kd=600nM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0002250 adaptive immune response
GO:0006955 immune response
Cellular Component
GO:0005615 extracellular space
GO:0019814 immunoglobulin complex

View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:4nja, PDBe:4nja, PDBj:4nja
PDBsum4nja
PubMed25756188
UniProtP01660|KV3A8_MOUSE Ig kappa chain V-III region PC 3741/TEPC 111;
Q52L95

[Back to BioLiP]