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: 4xtw
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3ruxRCSB PDB    PDBbind270aa, >3RUX_1|Chains... *
4xtvRCSB PDB    PDBbind270aa, >4XTV_1|Chains... at 100%
4xtxRCSB PDB    PDBbind270aa, >4XTX_1|Chains... at 100%
4xtyRCSB PDB    PDBbind270aa, >4XTY_1|Chains... at 100%
4xtzRCSB PDB    PDBbind270aa, >4XTZ_1|Chains... at 100%
4xu0RCSB PDB    PDBbind270aa, >4XU0_1|Chains... at 100%
4xu1RCSB PDB    PDBbind270aa, >4XU1_1|Chains... at 100%
4xu2RCSB PDB    PDBbind270aa, >4XU2_1|Chains... at 100%
4xu3RCSB PDB    PDBbind270aa, >4XU3_1|Chains... 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 ID4xtw
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameBifunctional ligase/repressor BirA
Ligand Name44M
EC.Number E.C.6.3.4.15
Resolution 2.3(Å)
Affinity (Kd/Ki/IC50)Kd=0.933nM
Release Year2015
Protein/NA SequenceCheck fasta file
Primary Reference (2015) J.Med.Chem. Vol. 58: pp. 7349-7369
Ligand Properties
Formula C20H28N12O6S2
Molecular Weight 596.643
Exact Mass 596.170
No. of atoms 68
No. of bonds 72
Polar Surface Area 298.91
LOGP Value -0.51      (Computed with XLOGP3)
1.58      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 6
No. of Hydrogen Bond Acceptors: 8
No. of Rotatable Bonds: 13
No. of Nitrogen and Oxygen Atoms: 18
No. of Rings: 5
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): I6YFP0  
Entrez Gene IDNCBI Entrez Gene ID: 888726  
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