Structure of PDB 4nj9 Chain L Binding Site BS04

Receptor Information
>4nj9 Chain L (length=212) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DIVLTQSPASLAVSLGQRATISCRASESVDSYGISFMHWYQQKPGQPPKL
LIYRASNLESGIPARFSGSGSRTDFTLTIIPVEADDVATYYCQQSNEDPR
TFGGGTKLEIKRADAAPTVSIFPPSSEQLTSGGASVVCFLNNFYPKDINV
KWKIDGSERQNGVLNSWTDQDSKDSTYSMSSTLTLTKDEYERHNSYTCEA
TSPIVKSFNRNE
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 chain4nj9 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

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PDB4nj9 Adaptive Mutations Alter Antibody Structure and Dynamics during Affinity Maturation.
Resolution1.95 Å
Binding residue
(original residue number in PDB)		Y28 I30 F32 R50
Binding residue
(residue number reindexed from 1)		Y32 I34 F36 R54
Annotation score1
Binding affinityPDBbind-CN: -logKd/Ki=6.97,Kd=108nM
Enzymatic activity
Enzyme Commision number ?
External links