Browse entries in the PDBbind-CN Database

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Related entries of code: 2jf4
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2jg0RCSB PDB    PDBbind535aa, >2JG0_1|Chain... at 100%
2jjbRCSB PDB    PDBbind535aa, >2JJB_1|Chains... at 100%
2wynRCSB PDB    PDBbind535aa, >2WYN_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
5z66RCSB PDB    PDBbindVDM

Entry Information
PDB ID2jf4
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Ligand NameVDM
EC.Number E.C.
Resolution 2.2(Å)
Affinity (Kd/Ki/IC50)Kd=7nM
Release Year2007
Protein/NA SequenceCheck fasta file
Primary Reference (2007) Angew.Chem.Int.Ed.Engl. Vol. 46: pp. 4115-4119
Ligand Properties
Formula C14H26NO8
Molecular Weight 336.358
Exact Mass 336.166
No. of atoms 49
No. of bonds 50
Polar Surface Area 178.45
LOGP Value -4.14      (Computed with XLOGP3)
-5.60      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 9
No. of Hydrogen Bond Acceptors: 8
No. of Rotatable Bonds: 12
No. of Nitrogen and Oxygen Atoms: 9
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): P13482  
Entrez Gene IDNCBI Entrez Gene ID: 61755120  945757  
ASDInformation of known allosteric effects of PDB entries

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