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Related entries of code: 2yay
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2yazRCSB PDB    PDBbind271aa, >2YAZ_1|Chains... at 100%
2yb0RCSB PDB    PDBbind271aa, >2YB0_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
2hquRCSB PDB    PDBbindDUP
2py4RCSB PDB    PDBbindDUP
3ehwRCSB PDB    PDBbindDUP
4gv8RCSB PDB    PDBbindDUP
5ectRCSB PDB    PDBbindDUP
5eddRCSB PDB    PDBbindDUP
5hvaRCSB PDB    PDBbindDUP
5hwuRCSB PDB    PDBbindDUP
5mydRCSB PDB    PDBbindDUP
5nyzRCSB PDB    PDBbindDUP
5nz2RCSB PDB    PDBbindDUP
Entry Information
PDB ID2yay
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameDUTPASE
Ligand NameDUP
EC.Number E.C.3.6.1.23
Resolution 1.86(Å)
Affinity (Kd/Ki/IC50)Kd=0.8uM
Release Year2011
Protein/NA SequenceCheck fasta file
Primary Reference (2011) J.Biol.Chem. Vol. 286: pp. 16470-16481
Ligand Properties
Formula C9H21N3O13P3
Molecular Weight 472.197
Exact Mass 472.029
No. of atoms 49
No. of bonds 50
Polar Surface Area 294.9
LOGP Value -5.57      (Computed with XLOGP3)
-1.85      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 10
No. of Rotatable Bonds: 9
No. of Nitrogen and Oxygen Atoms: 16
No. of Rings: 2
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): O15826  
Entrez Gene IDNCBI Entrez Gene ID: 5649078  
ASDInformation of known allosteric effects of PDB entries
 
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