Browse entries in the PDBbind-CN Database

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Related entries of code: 4yx9
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
5hk9RCSB PDB    PDBbind301aa, >5HK9_1|Chains... at 100%
5hkaRCSB PDB    PDBbind301aa, >5HKA_1|Chains... at 100%
5hkbRCSB PDB    PDBbind301aa, >5HKB_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1nq0RCSB PDB    PDBbind4HY
3jzbRCSB PDB    PDBbind4HY
3jzcRCSB PDB    PDBbind4HY
Entry Information
PDB ID4yx9
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameCFTR inhibitory factor
Ligand Name4HY
EC.Number E.C.-.-.-.-
Resolution 1.75(Å)
Affinity (Kd/Ki/IC50)Ki=4.5uM
Release Year2015
Protein/NA SequenceCheck fasta file
Primary Reference (2015) Angew.Chem.Int.Ed.Engl. Vol. 54: pp. 9881-9885
Ligand Properties
Formula C14H9I3O4
Molecular Weight 621.932
Exact Mass 621.764
No. of atoms 30
No. of bonds 31
Polar Surface Area 66.76
LOGP Value 5.95      (Computed with XLOGP3)
4.63      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 4
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): A0A0M3KL26  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries
 
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