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: 1fkh
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1a7xRCSB PDB    PDBbind107aa, >1A7X:B|PDBID|CHAIN|... at 100%
1b6cRCSB PDB    PDBbind107aa, >1B6C:G|PDBID|CHAIN|... at 100%
1bl4RCSB PDB    PDBbind107aa, >1BL4:B|PDBID|CHAIN|... at 99%
1d7iRCSB PDB    PDBbind107aa, >1D7I:B|PDBID|CHAIN|... at 100%
1d7jRCSB PDB    PDBbind107aa, >1D7J:B|PDBID|CHAIN|... at 100%
1f40RCSB PDB    PDBbind107aa, >1F40:A|PDBID|CHAIN|... at 100%
1fkbRCSB PDB    PDBbind107aa, >1FKB:A|PDBID|CHAIN|... at 100%
1fkfRCSB PDB    PDBbind107aa, >1FKF:A|PDBID|CHAIN|... at 100%
1fkgRCSB PDB    PDBbind107aa, >1FKG:A|PDBID|CHAIN|... at 100%
1fkiRCSB PDB    PDBbind107aa, >1FKI:B|PDBID|CHAIN|... at 100%
1j4rRCSB PDB    PDBbind107aa, >1J4R:D|PDBID|CHAIN|... at 100%
1qpfRCSB PDB    PDBbind107aa, >1QPF:D|PDBID|CHAIN|... at 100%
1qplRCSB PDB    PDBbind107aa, >1QPL:C|PDBID|CHAIN|... 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 ID1fkh
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameFK506 binding protein
Ligand NameSBX
EC.Number E.C.5.2.1.8
Resolution 1.95(Å)
Affinity (Kd/Ki/IC50)Ki=7nM
Release Year1994
Protein/NA SequenceCheck fasta file
Primary ReferenceJ.Am.Chem.Soc.v115;pp.9925-9938
Ligand Properties
Formula C28H41NO4
Molecular Weight 455.629
Exact Mass 455.304
No. of atoms 74
No. of bonds 76
Polar Surface Area 63.68
LOGP Value 6.91      (Computed with XLOGP3)
5.44      (Computed with Open Babel)
Drug likenessNo. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 11
No. of Nitrogen and Oxygen Atoms: 5
No. of Rings: 3
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

 
This site has been visited times since Nov 2007.


Address: 826 Zhangheng Road, Shanghai 201203, People's Republic of China      ICP NO: Shanghai-05005485-2
Group Leader: wangrx@fudan.edu.cn      Tel: +86-21-54925128      Webmaster: liuhai@mail.sioc.ac.cn
Copyright ©2007-2020    Department of Medicinal Chemistry, School of Pharmacy, Fudan University, P.R. China