Structure of PDB 3uvd Chain A Binding Site BS01

Receptor Information
>3uvd Chain A (length=122) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MAEKLSPNPPNLTKKMKKIVDAVIKYKDSSSGRQLSEVFIQLPSRKELPE
YYELIRKPVDFKKIKERIRNHKYRSLNDLEKDVMLLCQNAQTFNLEGSLI
YEDSIVLQSVFTSVRQKIEKED
Ligand information
Ligand IDMB3
InChIInChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3
InChIKeySECXISVLQFMRJM-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.370
OpenEye OEToolkits 1.7.0		CN1CCCC1=O
ACDLabs 12.01O=C1N(C)CCC1
FormulaC5 H9 N O
Name1-methylpyrrolidin-2-one
ChEMBLCHEMBL12543
DrugBankDB12521
ZINCZINC000003860621
PDB chain3uvd Chain A Residue 1 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3uvd Histone recognition and large-scale structural analysis of the human bromodomain family.
Resolution1.85 Å
Binding residue
(original residue number in PDB)		F1485 Y1497 F1539 N1540
Binding residue
(residue number reindexed from 1)		F39 Y51 F93 N94
Annotation score1
Enzymatic activity
Enzyme Commision number 3.6.4.-
Gene Ontology
Biological Process
GO:0006338 chromatin remodeling
Cellular Component
GO:0016586 RSC-type complex

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Biological Process
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Cellular Component
External links
PDB RCSB:3uvd, PDBe:3uvd, PDBj:3uvd
PDBsum3uvd
PubMed22464331
UniProtP51532|SMCA4_HUMAN Transcription activator BRG1 (Gene Name=SMARCA4)

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