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Related entries of code: 1w8l
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1ak4RCSB PDB    PDBbind165aa, >1AK4:A|PDBID|CHAIN|... at 100%
1nmkRCSB PDB    PDBbind165aa, >1NMK:B|PDBID|CHAIN|... at 100%
1w8mRCSB PDB    PDBbind165aa, >1W8M:A|PDBID|CHAIN|... at 100%
1yndRCSB PDB    PDBbind165aa, >1YND:B|PDBID|CHAIN|... at 100%
2ms4RCSB PDB    PDBbind165aa, >2MS4:A|PDBID|CHAIN|... at 100%
2x2dRCSB PDB    PDBbind165aa, >2X2D:C|PDBID|CHAIN|... at 100%
4dgbRCSB PDB    PDBbind165aa, >4DGB:A|PDBID|CHAIN|... at 98%
4dgeRCSB PDB    PDBbind165aa, >4DGE:B|PDBID|CHAIN|... 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 ID1w8l
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namepeptidyl-prolyl cis-trans isomerase a
Ligand Name1P3
EC.Number E.C.
Resolution 1.8(Å)
Affinity (Kd/Ki/IC50)Ki=320mM
Release Year2004
Protein/NA SequenceCheck fasta file
Primary ReferenceActa Crystallogr.,Sect.Dv60;pp.479
Ligand Properties
Formula C8H15NO
Molecular Weight 141.211
Exact Mass 141.115
No. of atoms 25
No. of bonds 25
Polar Surface Area 20.31
LOGP Value 1.01      (Computed with XLOGP3)
1.20      (Computed with Open Babel)
Drug likenessNo. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 1
No. of Rotatable Bonds: 1
No. of Nitrogen and Oxygen Atoms: 2
No. of Rings: 1
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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