Browse entries in the PDBbind-CN Database

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Related entries of code: 4ia0
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1udtRCSB PDB    PDBbind324aa, >1UDT_1|Chain... at 100%
1uduRCSB PDB    PDBbind324aa, >1UDU_1|Chains... at 100%
1uhoRCSB PDB    PDBbind324aa, >1UHO_1|Chain... at 100%
2chmRCSB PDB    PDBbind326aa, >2CHM_1|Chain... at 94%
2h42RCSB PDB    PDBbind326aa, >2H42_1|Chains... at 100%
2h44RCSB PDB    PDBbind326aa, >2H44_1|Chain... at 100%
2k31RCSB PDB    PDBbind176aa, >2K31_1|Chain... at 92%
3bjcRCSB PDB    PDBbind878aa, >3BJC_1|Chain... *
3hc8RCSB PDB    PDBbind324aa, >3HC8_1|Chain... at 94%
3hdzRCSB PDB    PDBbind324aa, >3HDZ_1|Chain... at 94%
3jwqRCSB PDB    PDBbind330aa, >3JWQ_1|Chains... at 92%
3shyRCSB PDB    PDBbind347aa, >3SHY_1|Chain... at 93%
3shzRCSB PDB    PDBbind347aa, >3SHZ_1|Chain... at 93%
3sieRCSB PDB    PDBbind347aa, >3SIE_1|Chains... at 93%
3tgeRCSB PDB    PDBbind326aa, >3TGE_1|Chain... at 94%
4g2wRCSB PDB    PDBbind347aa, >4G2W_1|Chain... at 93%
4g2yRCSB PDB    PDBbind347aa, >4G2Y_1|Chain... at 93%
4i9zRCSB PDB    PDBbind347aa, >4I9Z_1|Chain... at 93%
4md6RCSB PDB    PDBbind326aa, >4MD6_1|Chain... at 100%
4oewRCSB PDB    PDBbind347aa, >4OEW_1|Chain... at 93%
4oexRCSB PDB    PDBbind347aa, >4OEX_1|Chain... at 93%
5zz2RCSB PDB    PDBbind326aa, >5ZZ2_1|Chain... at 100%
6acbRCSB PDB    PDBbind326aa, >6ACB_1|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 ID4ia0
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NamecGMP-specific 3',5'-cyclic phosphodiesterase, PDE5A1 catalytic domain
Ligand Name5BB
EC.Number E.C.3.1.4.35
Resolution 2.17(Å)
Affinity (Kd/Ki/IC50)IC50=77nM
Release Year2014
Protein/NA SequenceCheck fasta file
Primary Reference (2013) Bioorg.Med.Chem.Lett. Vol. 23: pp. 4944-4947
Ligand Properties
Formula C25H38BrN4O4S
Molecular Weight 570.563
Exact Mass 569.180
No. of atoms 73
No. of bonds 75
Polar Surface Area 105.18
LOGP Value 5.00      (Computed with XLOGP3)
5.61      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 12
No. of Nitrogen and Oxygen Atoms: 8
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): O76074  
Entrez Gene IDNCBI Entrez Gene ID: 8654  
ASDInformation of known allosteric effects of PDB entries
 
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