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: 4c1y
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4d52RCSB PDB    PDBbind315aa, >4D52_3|Chain... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1rdjRCSB PDB    PDBbindMFB
Entry Information
PDB ID4c1y
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameFucose binding lectin from Aspergillus Fumigatus (AFL)
Ligand NameMFB
EC.Number E.C.-.-.-.-
Resolution 2.23(Å)
Affinity (Kd/Ki/IC50)Kd=251uM
Release Year2014
Protein/NA SequenceCheck fasta file
Primary Reference (2015) Acta Crystallogr.,Sect.D Vol. 71: pp. 442-453
Ligand Properties
Formula C7H14O5
Molecular Weight 178.183
Exact Mass 178.084
No. of atoms 26
No. of bonds 26
Polar Surface Area 79.15
LOGP Value -1.55      (Computed with XLOGP3)
-1.54      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 5
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): Q4WW81  
Entrez Gene IDNCBI Entrez Gene ID: 3511258  
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