Structure of PDB 5dyu Chain A Binding Site BS01

Receptor Information
>5dyu Chain A (length=116) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SMSVKKPKRDDSKDLALCSMILTEMETHEDAWPFLLPVNLKLVPGYKKVI
KKPMDFSTIREKLSSGQYPNLETFALDVRLVFDNCETFNEDDSDIGRAGH
NMRKYFEKKWTDTFKV
Ligand information
Ligand IDMZ0
InChIInChI=1S/C4H6N2O/c7-2-4-1-5-3-6-4/h1,3,7H,2H2,(H,5,6)
InChIKeyQDYTUZCWBJRHKK-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.9.2c1c([nH]cn1)CO
ACDLabs 12.01OCc1cncn1
CACTVS 3.385OCc1[nH]cnc1
FormulaC4 H6 N2 O
Name1H-imidazol-5-ylmethanol;
4(5)-(hydroxymethyl)imidazole
ChEMBLCHEMBL1397797
DrugBank
ZINCZINC000003861563
PDB chain5dyu Chain A Residue 2001 [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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PDB5dyu High-Throughput Fragment Docking into the BAZ2B Bromodomain: Efficient in Silico Screening for X-Ray Crystallography.
Resolution1.65 Å
Binding residue
(original residue number in PDB)		V1893 F1943 N1944
Binding residue
(residue number reindexed from 1)		V38 F88 N89
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:5dyu, PDBe:5dyu, PDBj:5dyu
PDBsum5dyu
PubMed26942307
UniProtQ9UIF8|BAZ2B_HUMAN Bromodomain adjacent to zinc finger domain protein 2B (Gene Name=BAZ2B)

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