Browse entries in the PDBbind-CN Database

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Related entries of code: 4fai
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4fbeRCSB PDB    PDBbind330aa, >4FBE_1|Chains... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
3pb7RCSB PDB    PDBbindPBD
3pbbRCSB PDB    PDBbindPBD
4f9uRCSB PDB    PDBbindPBD
4f9vRCSB PDB    PDBbindPBD
4fbeRCSB PDB    PDBbindPBD
4mhyRCSB PDB    PDBbindPBD
4mhzRCSB PDB    PDBbindPBD
Entry Information
PDB ID4fai
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameCG5976, isoform B
Ligand NamePBD
EC.Number E.C.2.3.2.5; E.C.3.4
Resolution 1.65(Å)
Affinity (Kd/Ki/IC50)Ki=101.3nM
Release Year2012
Protein/NA SequenceCheck fasta file
Primary Reference (2012) Biochemistry Vol. 51: pp. 7383-7392
Ligand Properties
Formula C15H20N4O2S
Molecular Weight 320.410
Exact Mass 320.131
No. of atoms 42
No. of bonds 43
Polar Surface Area 92.43
LOGP Value 1.55      (Computed with XLOGP3)
2.74      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 1
No. of Rotatable Bonds: 9
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): Q86PD7  
Entrez Gene IDNCBI Entrez Gene ID: 40270  
ASDInformation of known allosteric effects of PDB entries
 
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