Related entries of code: 1nmk
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1ak4RCSB PDB    PDBbind165aa, >1ak4_B... at 100%
1w8lRCSB PDB    PDBbind165aa, >1w8l_A... at 100%
1w8mRCSB PDB    PDBbind165aa, >1w8m_A... at 100%
1yndRCSB PDB    PDBbind165aa, >1ynd_B... at 100%
2ms4RCSB PDB    PDBbind165aa, >2ms4_A... at 100%
2x2dRCSB PDB    PDBbind165aa, >2x2d_C... at 100%
4dgbRCSB PDB    PDBbind165aa, >4dgb_A... at 98%
4dgeRCSB PDB    PDBbind165aa, >4dge_B... at 98%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID1nmk
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namepeptidyl-prolyl cis-trans isomerase a
Ligand NameSFM
EC.Number E.C.5.2.1.8
Resolution 2.1(Å)
Affinity (Kd/Ki/IC50)IC50=5.7nM
Release Year2003
Protein/NA SequenceCheck fasta file
Primary ReferenceJ.Am.Chem.Soc. v125 pp. 3849-59, 2003
Ligand Properties
Formula C39H57N4O10
Molecular Weight 741.891
Exact Mass 741.407
No. of atoms 110
No. of bonds 112
Polar Surface Area 219.41
LOGP Value 2.89      (Computed with XLOGP3)
2.90      (Computed with Open Babel)
Drug likenessNo. of Hydrogen Bond Donors: 7
No. of Hydrogen Bond Acceptors: 9
No. of Rotatable Bonds: 12
No. of Nitrogen and Oxygen Atoms: 14
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): P62937  
Entrez Gene IDNCBI Entrez Gene ID: 5478  
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: wangrx@mail.sioc.ac.cn      Tel: +86-21-54925128      Webmaster: liuhai@mail.sioc.ac.cn
Copyright ©2007-2013    Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences