Structure of PDB 2bjm Chain H Binding Site BS01

Receptor Information
>2bjm Chain H (length=120) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EVQLQQSGAELVKPGASVKLSCKASGYTFTSYWMHWVKQRPGRGLEWIGR
IDPNGGGTKYNEKFKSKATLTVDKPSSTAYMQLSSLTSEDSAVYYCARMW
YYGTYYFDYWGQGTTLTVSS
Ligand information
Ligand IDANF
InChIInChI=1S/C14H10O/c15-14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-9,15H
InChIKeyAUKRYONWZHRJRE-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Oc1c2ccccc2cc3ccccc13
ACDLabs 10.04Oc2c3c(cc1c2cccc1)cccc3
OpenEye OEToolkits 1.5.0c1ccc2c(c1)cc3ccccc3c2O
FormulaC14 H10 O
NameANTHRONE
ChEMBL
DrugBank
ZINCZINC000001671624
PDB chain2bjm Chain H Residue 500 [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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PDB2bjm Structure and Kinetics of a Transient Antibody Binding Intermediate Reveal a Kinetic Discrimination Mechanism in Antigen Recognition
Resolution2.15 Å
Binding residue
(original residue number in PDB)		W33 Y101
Binding residue
(residue number reindexed from 1)		W33 Y101
Annotation score1
Binding affinityMOAD: Ka<100000M^-1
PDBbind-CN: -logKd/Ki=3.70,Kd=200uM
External links