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: 4u5n
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1y2aRCSB PDB    PDBbind428aa, >1Y2A_1|Chain... at 100%
4u54RCSB PDB    PDBbind425aa, >4U54_1|Chain... at 100%
4u58RCSB PDB    PDBbind426aa, >4U58_1|Chain... at 100%
4u5lRCSB PDB    PDBbind426aa, >4U5L_1|Chain... at 100%
4u5oRCSB PDB    PDBbind426aa, >4U5O_1|Chain... at 100%
4u5sRCSB PDB    PDBbind426aa, >4U5S_1|Chain... at 100%
4u5uRCSB PDB    PDBbind426aa, >4U5U_1|Chain... at 100%
4u5vRCSB PDB    PDBbind426aa, >4U5V_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID4u5n
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameImportin subunit alpha-1
Ligand Name3D4
EC.Number E.C.-.-.-.-
Resolution 2.31(Å)
Affinity (Kd/Ki/IC50)Kd=3.3mM
Release Year2015
Protein/NA SequenceCheck fasta file
Primary Reference (2015) Chemmedchem Vol. 10: pp. 1232-1239
Ligand Properties
Formula C33H48N7O5
Molecular Weight 622.778
Exact Mass 622.372
No. of atoms 93
No. of bonds 95
Polar Surface Area 215.5
LOGP Value 0.50      (Computed with XLOGP3)
-0.96      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 8
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 23
No. of Nitrogen and Oxygen Atoms: 12
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): P52293  
Entrez Gene IDNCBI Entrez Gene ID: 16647  
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