Related entries of code: 1f40
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1a7xRCSB PDB    PDBbind107aa, >1a7x_B... at 100%
1b6cRCSB PDB    PDBbind107aa, >1b6c_G... at 100%
1bl4RCSB PDB    PDBbind107aa, >1bl4_B... at 99%
1d7iRCSB PDB    PDBbind107aa, >1d7i_B... at 100%
1d7jRCSB PDB    PDBbind107aa, >1d7j_B... at 100%
1fkbRCSB PDB    PDBbind107aa, >1fkb_A... at 100%
1fkfRCSB PDB    PDBbind107aa, >1fkf_A... at 100%
1fkgRCSB PDB    PDBbind107aa, >1fkg_A... at 100%
1fkhRCSB PDB    PDBbind107aa, >1fkh_A... at 100%
1fkiRCSB PDB    PDBbind107aa, >1fki_B... at 100%
1j4rRCSB PDB    PDBbind107aa, >1j4r_D... at 100%
1qpfRCSB PDB    PDBbind107aa, >1qpf_D... at 100%
1qplRCSB PDB    PDBbind107aa, >1qpl_C... 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 ID1f40
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namefk506 binding protein (fkbp)
Ligand NameGPI
EC.Number E.C.
Resolution NMR
Affinity (Kd/Ki/IC50)Kd=1uM
Release Year2000
Protein/NA SequenceCheck fasta file
Primary ReferenceEur.J.Biochem. v267 pp. 5342-55, 2000
Ligand Properties
Formula C20H28N2O4
Molecular Weight 360.447
Exact Mass 360.205
No. of atoms 54
No. of bonds 55
Polar Surface Area 76.57
LOGP Value 3.05      (Computed with XLOGP3)
2.49      (Computed with Open Babel)
Drug likenessNo. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 10
No. of Nitrogen and Oxygen Atoms: 6
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): P62942  
Entrez Gene IDNCBI Entrez Gene ID: 2280  
ASDInformation of known allosteric effects of PDB entries

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
This site has been visited times since Nov 2007.

Address: LingLing Road 345, Shanghai, 200032, China      ICP NO: Shanghai-05005485-2
Group Leader:      Tel: +86-21-54925128      Webmaster:
Copyright ©2007-2013    Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences