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: 4o91
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4gs6RCSB PDB    PDBbind315aa, >4GS6_1|Chain... *
4l3pRCSB PDB    PDBbind315aa, >4L3P_1|Chain... at 100%
4l52RCSB PDB    PDBbind307aa, >4L52_1|Chain... at 100%
4l53RCSB PDB    PDBbind307aa, >4L53_1|Chain... at 100%
5e7rRCSB PDB    PDBbind314aa, >5E7R_1|Chain... at 100%
5gjdRCSB PDB    PDBbind315aa, >5GJD_1|Chain... at 99%
5gjfRCSB PDB    PDBbind315aa, >5GJF_1|Chain... at 99%
5gjgRCSB PDB    PDBbind315aa, >5GJG_1|Chain... at 99%
5j7sRCSB PDB    PDBbind314aa, >5J7S_1|Chain... at 100%
5j8iRCSB PDB    PDBbind314aa, >5J8I_1|Chain... at 100%
5j9lRCSB PDB    PDBbind307aa, >5J9L_1|Chain... at 100%
5jgaRCSB PDB    PDBbind315aa, >5JGA_1|Chain... at 99%
5jgbRCSB PDB    PDBbind315aa, >5JGB_1|Chain... at 99%
5jgdRCSB PDB    PDBbind315aa, >5JGD_1|Chain... at 99%
5jh6RCSB PDB    PDBbind314aa, >5JH6_1|Chain... at 100%
5jk3RCSB PDB    PDBbind314aa, >5JK3_1|Chain... at 100%
5v5nRCSB PDB    PDBbind307aa, >5V5N_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 ID4o91
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameMitogen-activated protein kinase kinase kinase 7/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1 chimera TAK1
Ligand NameNG2
EC.Number E.C.2.7.11.25
Resolution 2.39(Å)
Affinity (Kd/Ki/IC50)IC50=149nM
Release Year2014
Protein/NA SequenceCheck fasta file
Primary Reference (2015) J.Med.Chem. Vol. 58: pp. 183-196
Ligand Properties
Formula C29H32F3N5O2
Molecular Weight 539.592
Exact Mass 539.251
No. of atoms 71
No. of bonds 75
Polar Surface Area 75.89
LOGP Value 4.94      (Computed with XLOGP3)
6.45      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 7
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): O43318  Q15750  
Entrez Gene IDNCBI Entrez Gene ID: 6885  10454  
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