Structure of PDB 5pbe Chain A Binding Site BS01

Receptor Information

>5pbe Chain A (length=115) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

SMSVKKPKRDDSKDLALCSMILTEMETHEDAWPFLLPVNLKLVPGYKKVI
KKPMDFSTIREKLSSGQYPNLETFALDVRLVFDNCETFNEDDSDIGRAGH
NMRKYFEKKWTDTFK

Ligand information

InChI=1S/C8H9NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h2-5,11H,1H3,(H,9,10)

RZVAJINKPMORJF-UHFFFAOYSA-N

SMILES

Software	SMILES
OpenEye OEToolkits 1.5.0	CC(=O)Nc1ccc(cc1)O
CACTVS 3.341	CC(=O)Nc1ccc(O)cc1
ACDLabs 10.04	O=C(Nc1ccc(O)cc1)C

Formula

C8 H9 N O2

Name

N-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)

ZINC000013550868

PDB chain

5pbe Chain A Residue 2001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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PDB	5pbe A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Resolution	1.835 Å
Binding residue (original residue number in PDB)	V1893 N1944 I1950
Binding residue (residue number reindexed from 1)	V38 N89 I95
Annotation score	1

Enzymatic activity

Enzyme Commision number

External links

PDB	RCSB:5pbe, PDBe:5pbe, PDBj:5pbe
PDBsum	5pbe
PubMed	28436492
UniProt	Q9UIF8\|BAZ2B_HUMAN Bromodomain adjacent to zinc finger domain protein 2B (Gene Name=BAZ2B)

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