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: 5ad1
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
5a5dRCSB PDB    PDBbind289aa, >5A5D_1|Chain... at 99%
5a5vRCSB PDB    PDBbind289aa, >5A5V_1|Chain... at 99%
5oahRCSB PDB    PDBbind288aa, >5OAH_1|Chains... at 99%
5od5RCSB PDB    PDBbind288aa, >5OD5_1|Chains... at 99%
5tcyRCSB PDB    PDBbind291aa, >5TCY_1|Chains... *
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID5ad1
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein Nameperiplasmic binding protein CeuE
Ligand Name8LC
EC.Number E.C.-.-.-.-
Resolution 1.32(Å)
Affinity (Kd/Ki/IC50)Kd=58nM
Release Year2016
Protein/NA SequenceCheck fasta file
Primary Reference (2017) Sci Rep Vol. 7: pp. 45941-45941
Ligand Properties
Formula C22H28N2O6
Molecular Weight 416.468
Exact Mass 416.195
No. of atoms 58
No. of bonds 59
Polar Surface Area 139.12
LOGP Value 4.37      (Computed with XLOGP3)
3.79      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 6
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 17
No. of Nitrogen and Oxygen Atoms: 8
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): Q0P8Q4  
Entrez Gene IDNCBI Entrez Gene ID: 905647  
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