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: 2ajb
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1orwRCSB PDB    PDBbind728aa, >1ORW_1|Chains... *
2aj8RCSB PDB    PDBbind728aa, >2AJ8_1|Chains... at 100%
2ajdRCSB PDB    PDBbind728aa, >2AJD_1|Chains... at 100%
2buaRCSB PDB    PDBbind728aa, >2BUA_1|Chains... at 100%
2bucRCSB PDB    PDBbind728aa, >2BUC_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 ID2ajb
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namedipeptidyl peptidase iv
Ligand Name0QG
EC.Number E.C.3.4.14.5
Resolution 2.75(Å)
Affinity (Kd/Ki/IC50)Ki=3.14uM
Release Year2006
Protein/NA SequenceCheck fasta file
Primary Reference J.Mol.Biol. v355 pp. 768-83, 2006
Ligand Properties
Formula C17H35N3O4
Molecular Weight 345.478
Exact Mass 345.263
No. of atoms 59
No. of bonds 59
Polar Surface Area 122.09
LOGP Value 0.10      (Computed with XLOGP3)
-1.05      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 9
No. of Nitrogen and Oxygen Atoms: 7
No. of Rings: 1
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): P22411  
Entrez Gene IDNCBI Entrez Gene ID: 397492  
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