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: 1a8t
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1a7tRCSB PDB    PDBbind232aa, >1A7T_1|Chains... *
1hlkRCSB PDB    PDBbind227aa, >1HLK_1|Chains... at 99%
1kr3RCSB PDB    PDBbind232aa, >1KR3_1|Chains... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID1a8t
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namemetallo-beta-lactamase
Ligand Name061
EC.Number E.C.3.5.2.6
Resolution 2.55(Å)
Affinity (Kd/Ki/IC50)Ki=1.6uM
Release Year1998
Protein/NA SequenceCheck fasta file
Primary Reference Chem.Biol. v5 pp. 185-96, 1998
Ligand Properties
Formula C26H24N6O2
Molecular Weight 452.508
Exact Mass 452.196
No. of atoms 58
No. of bonds 62
Polar Surface Area 109.58
LOGP Value 4.30      (Computed with XLOGP3)
4.34      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 8
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): P25910  
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 ©2007-2021    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