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: 1pzo
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1eroRCSB PDB    PDBbind263aa, >1ERO:A|PDBID|CHAIN|... at 96%
1erqRCSB PDB    PDBbind263aa, >1ERQ:A|PDBID|CHAIN|... at 96%
1jtdRCSB PDB    PDBbind263aa, >1JTD:A|PDBID|CHAIN|... at 96%
1nxyRCSB PDB    PDBbind263aa, >1NXY:A|PDBID|CHAIN|... at 96%
1ny0RCSB PDB    PDBbind263aa, >1NY0:A|PDBID|CHAIN|... at 96%
1nymRCSB PDB    PDBbind263aa, >1NYM:A|PDBID|CHAIN|... at 96%
1nyyRCSB PDB    PDBbind263aa, >1NYY:A|PDBID|CHAIN|... at 96%
1pzpRCSB PDB    PDBbind263aa, >1PZP:A|PDBID|CHAIN|... at 96%
5npoRCSB PDB    PDBbind265aa, >5NPO:B|PDBID|CHAIN|... *
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID1pzo
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namebeta-lactamase
Ligand NameCBT
EC.Number E.C.3.5.2.6
Resolution 1.9(Å)
Affinity (Kd/Ki/IC50)Ki=480uM
Release Year2004
Protein/NA SequenceCheck fasta file
Primary Reference J.Mol.Biol.v336;pp.1283-1291
Ligand Properties
Formula C15H13Cl2N5
Molecular Weight 334.203
Exact Mass 333.055
No. of atoms 35
No. of bonds 37
Polar Surface Area 57.7
LOGP Value 4.25      (Computed with XLOGP3)
3.71      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 5
No. of Rings: 3
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): P62593  
Entrez Gene IDNCBI Entrez Gene ID: 10076131  10076142  13876868  13877052  13903673  13905334  13905363  13906404  13906709  13906924  13909533  13909568  14612524  17824300  17824435  18157686  20466965  20466993  20467118  20468340  20471961  20491414  20491639  20492529  20492626  20493584  2716540  3244915  3722457  40397463  4924718  5961992  6276043  8319064  8319163  9537966  9538101  9846067  
ASDInformation of known allosteric effects of PDB entries

 
This site has been visited times since Nov 2007.


Address: 826 Zhangheng Road, Shanghai 201203, People's Republic of China      ICP NO: Shanghai-05005485-2
Group Leader: wangrx@fudan.edu.cn      Tel: +86-21-54925128      Webmaster: liuhai@mail.sioc.ac.cn
Copyright ©2007-2020    Department of Medicinal Chemistry, School of Pharmacy, Fudan University, P.R. China