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: 1a7t
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1a8tRCSB PDB    PDBbind232aa, >1A8T_1|Chains... at 100%
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
2z8eRCSB PDB    PDBbindMES

Entry Information
PDB ID1a7t
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namemetallo-beta-lactamase
Ligand NameMES
EC.Number E.C.3.5.2.6
Resolution 1.85(Å)
Affinity (Kd/Ki/IC50)Ki=23mM
Release Year1998
Protein/NA SequenceCheck fasta file
Primary Reference Biochemistry v37 pp. 6791-800, 1998
Ligand Properties
Formula C6H14NO4S
Molecular Weight 196.245
Exact Mass 196.064
No. of atoms 26
No. of bonds 26
Polar Surface Area 76.42
LOGP Value -3.50      (Computed with XLOGP3)
0.44      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 5
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): 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 ©2007-2022    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