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: 4ayp
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4ayqRCSB PDB    PDBbind447aa, >4AYQ_1|Chain... at 100%
4ayrRCSB PDB    PDBbind447aa, >4AYR_1|Chain... at 100%
5mehRCSB PDB    PDBbind447aa, >5MEH_1|Chain... at 100%
5ne5RCSB PDB    PDBbind447aa, >5NE5_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1x9dRCSB PDB    PDBbindSMD

Entry Information
PDB ID4ayp
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Ligand NameSMD
EC.Number E.C.
Resolution 0.85(Å)
Affinity (Kd/Ki/IC50)Kd=755nM
Release Year2013
Protein/NA SequenceCheck fasta file
Primary Reference (2012) Angew.Chem.Int.Ed.Engl. Vol. 51: pp. 10997
Ligand Properties
Formula C13H24O10S
Molecular Weight 372.389
Exact Mass 372.109
No. of atoms 48
No. of bonds 49
Polar Surface Area 194.6
LOGP Value -2.85      (Computed with XLOGP3)
-4.03      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 7
No. of Hydrogen Bond Acceptors: 7
No. of Rotatable Bonds: 12
No. of Nitrogen and Oxygen Atoms: 10
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): B0SWV2  
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: