Structure of PDB 5pow Chain B Binding Site BS01

Receptor Information
>5pow Chain B (length=123) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SMEQVAMELRLTELTRLLRSVLDQLQDKDPARIFAQPVSLKEVPDYLDHI
KHPMDFATMRKRLEAQGYKNLHEFEEDFDLIIDNCMKYNARDTVFYRAAV
RLRDQGGVVLRQARREVDSIGLE
Ligand information
Ligand ID8UA
InChIInChI=1S/C8H10N2O/c1-7(11)10-6-8-4-2-3-5-9-8/h2-5H,6H2,1H3,(H,10,11)
InChIKeyACOHAEBNFWGQCL-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01N(C(C)=O)Cc1ccccn1
CACTVS 3.385
OpenEye OEToolkits 2.0.6		CC(=O)NCc1ccccn1
FormulaC8 H10 N2 O
NameN-[(pyridin-2-yl)methyl]acetamide
ChEMBLCHEMBL3244510
DrugBank
ZINCZINC000005260754
PDB chain5pow Chain B Residue 204 [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]
PDB5pow A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Resolution1.768 Å
Binding residue
(original residue number in PDB)		V59 V64 N110
Binding residue
(residue number reindexed from 1)		V38 V43 N89
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:5pow, PDBe:5pow, PDBj:5pow
PDBsum5pow
PubMed28436492
UniProtO95696|BRD1_HUMAN Bromodomain-containing protein 1 (Gene Name=BRD1)

[Back to BioLiP]