Browse entries in the PDBbind-CN Database

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Related entries of code: 3bho
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
No similar entries are found!
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
3looRCSB PDB    PDBbindB4P

Entry Information
PDB ID3bho
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameCF Im25
Ligand NameB4P
EC.Number E.C.-.-.-.-
Resolution 1.8(Å)
Affinity (Kd/Ki/IC50)Kd=2.44uM
Release Year2008
Protein/NA SequenceCheck fasta file
Primary Reference (2008) Nucleic Acids Res. Vol. 36: pp. 3474-3483
Ligand Properties
Formula C20H30N10O19P4
Molecular Weight 838.403
Exact Mass 838.064
No. of atoms 83
No. of bonds 88
Polar Surface Area 552.77
LOGP Value -7.34      (Computed with XLOGP3)
-2.88      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 8
No. of Hydrogen Bond Acceptors: 14
No. of Rotatable Bonds: 16
No. of Nitrogen and Oxygen Atoms: 29
No. of Rings: 6
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): O43809  
Entrez Gene IDNCBI Entrez Gene ID: 11051  
ASDInformation of known allosteric effects of PDB entries

 
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