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Related entries of code: 3px9
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1br5RCSB PDB    PDBbind267aa, >1BR5_1|Chain... at 100%
1br6RCSB PDB    PDBbind268aa, >1BR6_1|Chain... at 99%
1il3RCSB PDB    PDBbind267aa, >1IL3_1|Chain... at 100%
1il4RCSB PDB    PDBbind267aa, >1IL4_1|Chain... at 100%
1il5RCSB PDB    PDBbind267aa, >1IL5_1|Chains... at 100%
1il9RCSB PDB    PDBbind267aa, >1IL9_1|Chain... at 100%
2p8nRCSB PDB    PDBbind268aa, >2P8N_1|Chain... at 99%
3ej5RCSB PDB    PDBbind257aa, >3EJ5_1|Chain... at 99%
3hioRCSB PDB    PDBbind268aa, >3HIO_1|Chain... at 99%
3px8RCSB PDB    PDBbind258aa, >3PX8_1|Chain... at 100%
4esiRCSB PDB    PDBbind267aa, >4ESI_1|Chain... at 100%
4huoRCSB PDB    PDBbind267aa, >4HUO_1|Chain... at 100%
4hupRCSB PDB    PDBbind267aa, >4HUP_1|Chain... at 100%
4hv3RCSB PDB    PDBbind268aa, >4HV3_1|Chain... at 99%
4hv7RCSB PDB    PDBbind267aa, >4HV7_1|Chain... at 100%
4mx1RCSB PDB    PDBbind268aa, >4MX1_1|Chain... at 99%
4mx5RCSB PDB    PDBbind268aa, >4MX5_1|Chain... at 99%
5gu4RCSB PDB    PDBbind301aa, >5GU4_1|Chains... *
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID3px9
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NamePreproricin, RTA
Ligand NameJP3
EC.Number E.C.3.2.2.22
Resolution 1.89(Å)
Affinity (Kd/Ki/IC50)IC50=380uM
Release Year2011
Protein/NA SequenceCheck fasta file
Primary Reference (2011) Eur.J.Med.Chem. Vol. 46: pp. 3608-3615
Ligand Properties
Formula C12H11N6O3
Molecular Weight 287.254
Exact Mass 287.089
No. of atoms 32
No. of bonds 34
Polar Surface Area 142.26
LOGP Value 0.14      (Computed with XLOGP3)
-1.78      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 9
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): P02879  
Entrez Gene IDNCBI Entrez Gene ID: 8261245  
ASDInformation of known allosteric effects of PDB entries
 
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