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: 4b5t
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4b5sRCSB PDB    PDBbind251aa, >4B5S_1|Chains... at 99%
4b5wRCSB PDB    PDBbind256aa, >4B5W_1|Chains... *
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
2uynRCSB PDB    PDBbind2KT

Entry Information
PDB ID4b5t
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein Name4-HYDROXY-2-OXO-HEPTANE-1,7-DIOATE ALDOLASE
Ligand Name2KT
EC.Number E.C.-.-.-.-
Resolution 1.92(Å)
Affinity (Kd/Ki/IC50)Kd=0.47mM
Release Year2012
Protein/NA SequenceCheck fasta file
Primary Reference (2012) J.Biol.Chem. Vol. 287: pp. 36208
Ligand Properties
Formula C4H6O3
Molecular Weight 102.089
Exact Mass 102.032
No. of atoms 13
No. of bonds 12
Polar Surface Area 54.37
LOGP Value 1.03      (Computed with XLOGP3)
0.05      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 1
No. of Nitrogen and Oxygen Atoms: 3
No. of Rings: 0
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): B1IS70  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
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