Browse entries in the PDBbind-CN Database

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Related entries of code: 3qi4
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2hd1RCSB PDB    PDBbind326aa, >2HD1_1|Chains... at 99%
3jsiRCSB PDB    PDBbind329aa, >3JSI_1|Chains... at 98%
3jswRCSB PDB    PDBbind329aa, >3JSW_1|Chains... at 98%
3k3eRCSB PDB    PDBbind326aa, >3K3E_1|Chains... at 99%
3k3hRCSB PDB    PDBbind326aa, >3K3H_1|Chains... at 99%
3qi3RCSB PDB    PDBbind533aa, >3QI3_1|Chains... *
4e90RCSB PDB    PDBbind329aa, >4E90_1|Chains... at 98%
4g2jRCSB PDB    PDBbind329aa, >4G2J_1|Chains... at 98%
4g2lRCSB PDB    PDBbind329aa, >4G2L_1|Chains... at 98%
4gh6RCSB PDB    PDBbind326aa, >4GH6_1|Chains... at 99%
4qgeRCSB PDB    PDBbind533aa, >4QGE_1|Chains... at 99%
4y87RCSB PDB    PDBbind533aa, >4Y87_1|Chains... at 99%
4y8cRCSB PDB    PDBbind533aa, >4Y8C_1|Chains... at 99%
6a3nRCSB PDB    PDBbind322aa, >6A3N_1|Chains... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1sojRCSB PDB    PDBbindIBM
1zklRCSB PDB    PDBbindIBM
1zknRCSB PDB    PDBbindIBM
2hd1RCSB PDB    PDBbindIBM
2r8qRCSB PDB    PDBbindIBM
3ecnRCSB PDB    PDBbindIBM
3ituRCSB PDB    PDBbindIBM
3jwrRCSB PDB    PDBbindIBM
Entry Information
PDB ID3qi4
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameHigh affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, PDE9A (Q453E mutant)
Ligand NameIBM
EC.Number E.C.3.1.4.35
Resolution 2.5(Å)
Affinity (Kd/Ki/IC50)IC50=117.2uM
Release Year2011
Protein/NA SequenceCheck fasta file
Primary Reference (2011) Plos One Vol. 6: pp. e18092-e18092
Ligand Properties
Formula C10H14N4O2
Molecular Weight 222.244
Exact Mass 222.112
No. of atoms 30
No. of bonds 31
Polar Surface Area 72.68
LOGP Value 0.95      (Computed with XLOGP3)
0.08      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 2
No. of Nitrogen and Oxygen Atoms: 6
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): O76083  
Entrez Gene IDNCBI Entrez Gene ID: 5152  
ASDInformation of known allosteric effects of PDB entries
 
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