Structure of PDB 6m87 Chain J Binding Site BS01

Receptor Information
>6m87 Chain J (length=216) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PFQLLESGPELVKPGASVKISCKASGYSFTDYNMNWVKQSNGKSLEWIGV
INPNSGTTNYNQKFKDKATLTVDQSSSTAYMQLNSLTSEDSAVYYCARGG
GFRRGFDSWGQGTTVTVSSAKTTPPSVYPLAPVAQTNSVTLGCLVKGYFP
EPVTVTWNSGSLSSGVHTFPAVLQSDLYTLSSSVTVPSSTWPSQSVTCNV
AHPASSTAVDKKIEPN
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 chain6m87 Chain J Residue 301 [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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PDB6m87 Structure and Dynamics of Stacking Interactions in an Antibody Binding Site.
Resolution2.609 Å
Binding residue
(original residue number in PDB)		N58 G95 G96 G97 F98 R99 G100A
Binding residue
(residue number reindexed from 1)		N59 G99 G100 G101 F102 R103 G105
Annotation score1
External links