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Related entries of code: 1it6
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1jk7RCSB PDB    PDBbind323aa, >1JK7:A|PDBID|CHAIN|... at 100%
2bcdRCSB PDB    PDBbind323aa, >2BCD:A|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 ID1it6
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Nameserine/threonine protein phosphatase pp1-gamma
Ligand NameCYU
EC.Number E.C.3.1.3.16
Resolution 2(Å)
Affinity (Kd/Ki/IC50)Ki=4.1nM
Release Year2002
Protein/NA SequenceCheck fasta file
Primary Reference Structure v10 pp. 715-24, 2002
Ligand Properties
Formula C42H66N2O11P
Molecular Weight 805.954
Exact Mass 805.440
No. of atoms 122
No. of bonds 124
Polar Surface Area 221.71
LOGP Value 6.45      (Computed with XLOGP3)
6.86      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 8
No. of Rotatable Bonds: 20
No. of Nitrogen and Oxygen Atoms: 13
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): P36873  
Entrez Gene IDNCBI Entrez Gene ID: 5501  
ASDInformation of known allosteric effects of PDB entries

 
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