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Related entries of code: 1ynd
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1ak4RCSB PDB    PDBbind165aa, >1ak4_B... at 100%
1nmkRCSB PDB    PDBbind165aa, >1nmk_B... at 100%
1w8lRCSB PDB    PDBbind165aa, >1w8l_A... at 100%
1w8mRCSB PDB    PDBbind165aa, >1w8m_A... 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 ID1ynd
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namepeptidyl-prolyl cis-trans isomerase a
Ligand NameSFA
EC.Number E.C.5.2.1.8
Resolution 1.6(Å)
Affinity (Kd/Ki/IC50)IC50=3.6nM
Release Year2005
Protein/NA SequenceCheck fasta file
Primary ReferenceJ.Biol.Chem. v280 pp. 21965-71, 2005
Ligand Properties
Formula C60H92N5O13
Molecular Weight 1,091.400
Exact Mass 1,090.670
No. of atoms 170
No. of bonds 174
Polar Surface Area 277.97
LOGP Value 7.32      (Computed with XLOGP3)
6.87      (Computed with Open Babel)
Drug likenessNo. of Hydrogen Bond Donors: 9
No. of Hydrogen Bond Acceptors: 11
No. of Rotatable Bonds: 20
No. of Nitrogen and Oxygen Atoms: 18
No. of Rings: 5
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

 
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