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: 5wag
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4u0xRCSB PDB    PDBbind360aa, >4U0X_1|Chains... at 100%
5w12RCSB PDB    PDBbind361aa, >5W12_1|Chains... *
5w13RCSB PDB    PDBbind361aa, >5W13_1|Chains... at 100%
5w14RCSB PDB    PDBbind361aa, >5W14_1|Chains... at 100%
5wacRCSB PDB    PDBbind361aa, >5WAC_1|Chains... at 100%
5wadRCSB PDB    PDBbind361aa, >5WAD_1|Chains... at 100%
5waeRCSB PDB    PDBbind361aa, >5WAE_1|Chains... at 100%
5wafRCSB PDB    PDBbind361aa, >5WAF_1|Chains... 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 ID5wag
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameAcinetobacter-derived cephalosporinases
Ligand NameA0V
EC.Number E.C.-.-.-.-
Resolution 1.93(Å)
Affinity (Kd/Ki/IC50)Ki=6110nM
Release Year2017
Protein/NA SequenceCheck fasta file
Primary Reference (2017) ACS Infect Dis Vol. : pp. 325閳?36
Ligand Properties
Formula C4H8BN3O7P
Molecular Weight 251.907
Exact Mass 252.019
No. of atoms 24
No. of bonds 24
Polar Surface Area 171.75
LOGP Value -2.05      (Computed with XLOGP3)
-2.07      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 8
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 10
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): Q6DRA1  
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