Structure of PDB 5nbw Chain H Binding Site BS01

Receptor Information
>5nbw Chain H (length=216) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EVKLHQSGAELVNPGASVKISCKAPGYTFNNYWIEWVKQRPGHGLEWIGE
ILPGSGRINYNEKFKDKATFTADTSSNTAYMQLSSLTSDDSAVYYCAKKY
GDYWGQGTTVTVSSAKTTPPSVYPLAPGSAAQTNSMVTLGCLVKGYFPEP
VTVTWNSGSLSSGVHTFPAVLQSDLYTLSSSVTVPSSTWPSETVTCNVAH
PASSTKVDKKIVPRDC
Ligand information
Ligand ID8SK
InChIInChI=1S/C20H12O/c21-18-10-7-12-5-8-16-15-4-2-1-3-13(15)11-14-6-9-17(18)19(12)20(14)16/h1-11,21H
InChIKeySPUUWWRWIAEPDB-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1ccc2c(c1)cc3ccc4c(ccc5c4c3c2cc5)O
CACTVS 3.385Oc1ccc2ccc3c4ccccc4cc5ccc1c2c35
FormulaC20 H12 O
Namebenzo[a]pyren-3-ol
ChEMBLCHEMBL8020
DrugBank
ZINCZINC000002558837
PDB chain5nbw Chain L Residue 301 [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]
PDB5nbw Tight Molecular Recognition of Benzo[a]pyrene by a High-Affinity Antibody.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		E35 K99 Y100 G101 W104
Binding residue
(residue number reindexed from 1)		E35 K99 Y100 G101 W104
Annotation score1
Binding affinityPDBbind-CN: -logKd/Ki=8.59,Kd=2.6nM
External links