Related entries of code: 1f8a
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2itkRCSB PDB    PDBbind167aa, >2itk_A... at 100%
2xp3RCSB PDB    PDBbind167aa, >2xp3_A... at 100%
2xp4RCSB PDB    PDBbind167aa, >2xp4_A... at 100%
2xp5RCSB PDB    PDBbind167aa, >2xp5_A... at 100%
2xp6RCSB PDB    PDBbind167aa, >2xp6_A... at 99%
2xp7RCSB PDB    PDBbind167aa, >2xp7_A... at 100%
2xp8RCSB PDB    PDBbind167aa, >2xp8_A... at 100%
2xpaRCSB PDB    PDBbind167aa, >2xpa_A... at 100%
2xpbRCSB PDB    PDBbind167aa, >2xpb_A... at 100%
3i6cRCSB PDB    PDBbind123aa, >3i6c_B... at 95%
3ikdRCSB PDB    PDBbind123aa, >3ikd_B... at 95%
3ikgRCSB PDB    PDBbind123aa, >3ikg_B... at 95%
3jyjRCSB PDB    PDBbind123aa, >3jyj_B... at 95%
3kabRCSB PDB    PDBbind167aa, >3kab_A... at 100%
3kacRCSB PDB    PDBbind123aa, >3kac_B... at 96%
3kadRCSB PDB    PDBbind167aa, >3kad_A... at 99%
3kafRCSB PDB    PDBbind167aa, >3kaf_A... at 99%
3kagRCSB PDB    PDBbind167aa, >3kag_A... at 100%
3kahRCSB PDB    PDBbind167aa, >3kah_A... at 100%
3kaiRCSB PDB    PDBbind167aa, >3kai_A... at 100%
3kceRCSB PDB    PDBbind167aa, >3kce_A... at 100%
3ntpRCSB PDB    PDBbind167aa, >3ntp_A... at 100%
3odkRCSB PDB    PDBbind167aa, >3odk_A... at 100%
3oobRCSB PDB    PDBbind163aa, >3oob_A... at 100%
3tc5RCSB PDB    PDBbind166aa, >3tc5_A... at 98%
4tyoRCSB PDB    PDBbind123aa, >4tyo_B... at 95%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1bm2RCSB PDB    PDBbind7-mer
1bzhRCSB PDB    PDBbind7-mer
1fhrRCSB PDB    PDBbind7-mer
1j4kRCSB PDB    PDBbind7-mer
1k9qRCSB PDB    PDBbind7-mer
1n7tRCSB PDB    PDBbind7-mer
1nltRCSB PDB    PDBbind7-mer
1oh4RCSB PDB    PDBbind7-mer
1okwRCSB PDB    PDBbind7-mer
1pipRCSB PDB    PDBbind7-mer
1ptsRCSB PDB    PDBbind7-mer
1py1RCSB PDB    PDBbind7-mer
1q5lRCSB PDB    PDBbind7-mer
1qscRCSB PDB    PDBbind7-mer
1rzxRCSB PDB    PDBbind7-mer
1slgRCSB PDB    PDBbind7-mer
1tmbRCSB PDB    PDBbind7-mer
1umwRCSB PDB    PDBbind7-mer
1utcRCSB PDB    PDBbind7-mer
1zfpRCSB PDB    PDBbind7-mer
2aoeRCSB PDB    PDBbind7-mer
2er6RCSB PDB    PDBbind7-mer
2h6qRCSB PDB    PDBbind7-mer
2l7uRCSB PDB    PDBbind7-mer
2mipRCSB PDB    PDBbind7-mer
2nmbRCSB PDB    PDBbind7-mer
2pemRCSB PDB    PDBbind7-mer
2pv1RCSB PDB    PDBbind7-mer
2q3zRCSB PDB    PDBbind7-mer
2w6uRCSB PDB    PDBbind7-mer
2w78RCSB PDB    PDBbind7-mer
2zlfRCSB PDB    PDBbind7-mer
3ddaRCSB PDB    PDBbind7-mer
3ddbRCSB PDB    PDBbind7-mer
3fvhRCSB PDB    PDBbind7-mer
3iflRCSB PDB    PDBbind7-mer
3ifoRCSB PDB    PDBbind7-mer
3ifpRCSB PDB    PDBbind7-mer
3l81RCSB PDB    PDBbind7-mer
3rq7RCSB PDB    PDBbind7-mer
3rulRCSB PDB    PDBbind7-mer
3rumRCSB PDB    PDBbind7-mer
3runRCSB PDB    PDBbind7-mer
3stjRCSB PDB    PDBbind7-mer
3t6rRCSB PDB    PDBbind7-mer
3upvRCSB PDB    PDBbind7-mer
3uqrRCSB PDB    PDBbind7-mer
3vb6RCSB PDB    PDBbind7-mer
3vfjRCSB PDB    PDBbind7-mer
3wdcRCSB PDB    PDBbind7-mer
3wddRCSB PDB    PDBbind7-mer
3wdeRCSB PDB    PDBbind7-mer
4aifRCSB PDB    PDBbind7-mer
4dfwRCSB PDB    PDBbind7-mer
4dvfRCSB PDB    PDBbind7-mer
4eqfRCSB PDB    PDBbind7-mer
4ezwRCSB PDB    PDBbind7-mer
4ezxRCSB PDB    PDBbind7-mer
4ezyRCSB PDB    PDBbind7-mer
4ezzRCSB PDB    PDBbind7-mer
4fbxRCSB PDB    PDBbind7-mer
4fgxRCSB PDB    PDBbind7-mer
4gneRCSB PDB    PDBbind7-mer
4gplRCSB PDB    PDBbind7-mer
4igkRCSB PDB    PDBbind7-mer
4j73RCSB PDB    PDBbind7-mer
4lp9RCSB PDB    PDBbind7-mer
4mn3RCSB PDB    PDBbind7-mer
4o6wRCSB PDB    PDBbind7-mer
4onfRCSB PDB    PDBbind7-mer
4tkyRCSB PDB    PDBbind7-mer
4u0gRCSB PDB    PDBbind7-mer
4v1cRCSB PDB    PDBbind7-mer
4x3iRCSB PDB    PDBbind7-mer
4x3kRCSB PDB    PDBbind7-mer
4y32RCSB PDB    PDBbind7-mer
4y3bRCSB PDB    PDBbind7-mer
5cs2RCSB PDB    PDBbind7-mer
8hvpRCSB PDB    PDBbind7-mer

Entry Information
PDB ID1f8a
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namepeptidyl-prolyl cis-trans isomerase
Ligand Name7-mer
EC.Number E.C.5.2.1.8
Resolution 1.84(Å)
Affinity (Kd/Ki/IC50)Kd=10uM
Release Year2000
Protein/NA SequenceCheck fasta file
Primary ReferenceNat.Struct.Biol. v7 pp. 639-43, 2000
Ligand Properties
Formula C32H52N7O19P2
Molecular Weight 900.738
Exact Mass 900.279
No. of atoms 112
No. of bonds 114
Polar Surface Area 449.67
LOGP Value -8.08      (Computed with XLOGP3)
-5.29      (Computed with Open Babel)
Drug likenessNo. of Hydrogen Bond Donors: 8
No. of Hydrogen Bond Acceptors: 17
No. of Rotatable Bonds: 28
No. of Nitrogen and Oxygen Atoms: 26
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): Q13526  
Entrez Gene IDNCBI Entrez Gene ID: 5300  
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