Browse entries in the PDBbind-CN Database

Display Options: Structure:  




Goto PDB code:

3D presentation of molecule is powered by 3Dmol, which supports all modern browsers and mobile devices via WebGL.

           
Hold mouse button: left to rotate,middle to shift,right to zoom

Related entries of code: 5i1q
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
5i29RCSB PDB    PDBbind144aa, >5I29_1|Chain... at 100%
5mg2RCSB PDB    PDBbind137aa, >5MG2_1|Chain... at 98%
6df4RCSB PDB    PDBbind167aa, >6DF4_1|Chain... *
6df7RCSB PDB    PDBbind167aa, >6DF7_1|Chains... at 100%
6bqdRCSB PDB    PDBbind130aa, >6BQD_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
6bqaRCSB PDB    PDBbind67C
Entry Information
PDB ID5i1q
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameSecond bromodomain of TAF1
Ligand Name67C
EC.Number E.C.2.3.1.48
Resolution 1.5(Å)
Affinity (Kd/Ki/IC50)Kd=12nM
Release Year2016
Protein/NA SequenceCheck fasta file
Primary Reference (2016) J.Med.Chem. Vol. 59: pp. 5391-5402
Ligand Properties
Formula C20H23N3O2
Molecular Weight 337.416
Exact Mass 337.179
No. of atoms 48
No. of bonds 50
Polar Surface Area 56.41
LOGP Value 2.56      (Computed with XLOGP3)
2.82      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 5
No. of Rings: 3
Canonical SMILES
InChI String

Links to External Databases
RCSB PDBThe mother database
PDBsumEnhanced annotations on PDB entries
PubchemComprehensive collection of chemical and biological data
UniProtKB ACUniProt accession number (AC): P21675  
Entrez Gene IDNCBI Entrez Gene ID: 6872  
ASDInformation of known allosteric effects of PDB entries
 
This site has been visited times since Nov 2007.


Copyright ©2007-2024    涓婃捣鐩堣禌鎬濅俊鎭鎶鏈夐檺鍏徃    缃戠珯澶囨鍙凤細娌狪CP澶2021015625鍙-3    娌叕缃戝畨澶囷細姝ｅ湪鐢宠涓


Technical Support锛堟妧鏈敮鎸侊級: yingsaisi@foxmail.com