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: 4nq6
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4c1cRCSB PDB    PDBbind227aa, >4C1C_1|Chain... *
4c1hRCSB PDB    PDBbind227aa, >4C1H_1|Chain... at 100%
4tytRCSB PDB    PDBbind227aa, >4TYT_1|Chain... at 100%
5fqbRCSB PDB    PDBbind227aa, >5FQB_1|Chain... at 100%
5jmxRCSB PDB    PDBbind227aa, >5JMX_1|Chain... at 100%
6eumRCSB PDB    PDBbind227aa, >6EUM_1|Chain... at 100%
6eweRCSB PDB    PDBbind227aa, >6EWE_1|Chain... at 100%
6f2nRCSB PDB    PDBbind227aa, >6F2N_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
5ev8RCSB PDB    PDBbind3R9
5evbRCSB PDB    PDBbind3R9
Entry Information
PDB ID4nq6
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameBeta-lactamase 2
Ligand Name3R9
EC.Number E.C.3.5.2.6
Resolution 1.8(Å)
Affinity (Kd/Ki/IC50)Ki=53uM
Release Year2014
Protein/NA SequenceCheck fasta file
Primary Reference (2016) Proc.Natl.Acad.Sci.USA Vol.(14) : pp. E3745-3754
Ligand Properties
Formula C7H12NO2S3
Molecular Weight 238.371
Exact Mass 238.003
No. of atoms 25
No. of bonds 26
Polar Surface Area 131.14
LOGP Value -0.04      (Computed with XLOGP3)
0.97      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 2
No. of Nitrogen and Oxygen Atoms: 3
No. of Rings: 2
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): P04190  
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