Browse entries in the PDBbind-CN Database

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Related entries of code: 1ya4
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1mx1RCSB PDB    PDBbind548aa, >1MX1_1|Chains... *
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
6ohuRCSB PDB    PDBbindCTX

Entry Information
PDB ID1ya4
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Nameces1 protein
Ligand NameCTX
EC.Number E.C.3.1.1.1
Resolution 3.2(Å)
Affinity (Kd/Ki/IC50)Ki=15.2uM
Release Year2005
Protein/NA SequenceCheck fasta file
Primary Reference J.Mol.Biol. v352 pp. 165-77, 2005
Ligand Properties
Formula C26H30NO
Molecular Weight 372.523
Exact Mass 372.233
No. of atoms 58
No. of bonds 60
Polar Surface Area 13.67
LOGP Value 7.14      (Computed with XLOGP3)
4.58      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 0
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 2
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): P23141  
Entrez Gene IDNCBI Entrez Gene ID: 1066  
ASDInformation of known allosteric effects of PDB entries

 
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