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: 5hl9
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
5hlbRCSB PDB    PDBbind747aa, >5HLB_1|Chain... at 100%
5hldRCSB PDB    PDBbind747aa, >5HLD_1|Chain... 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 ID5hl9
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NamePenicillin-binding protein 1B, E. coli PBP1b
Ligand NameAIX
EC.Number E.C.2.4.1.129
Resolution 2.7(Å)
Affinity (Kd/Ki/IC50)IC50=22uM
Release Year2016
Protein/NA SequenceCheck fasta file
Primary Reference (2016) J. Biol. Chem. Vol. : pp.1-25
Ligand Properties
Formula C16H23N3O4S
Molecular Weight 353.437
Exact Mass 353.141
No. of atoms 47
No. of bonds 48
Polar Surface Area 153.02
LOGP Value -1.10      (Computed with XLOGP3)
0.48      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 7
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): P02919  
Entrez Gene IDNCBI Entrez Gene ID: 944843  
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