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Related entries of code: 2r4f
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2q1lRCSB PDB    PDBbind441aa, >2Q1L_1|Chains... *
2q6bRCSB PDB    PDBbind441aa, >2Q6B_1|Chains... at 100%
2q6cRCSB PDB    PDBbind441aa, >2Q6C_1|Chains... at 100%
3bglRCSB PDB    PDBbind441aa, >3BGL_1|Chains... at 100%
3cctRCSB PDB    PDBbind441aa, >3CCT_1|Chains... at 100%
3ccwRCSB PDB    PDBbind441aa, >3CCW_1|Chains... at 100%
3cczRCSB PDB    PDBbind441aa, >3CCZ_1|Chains... at 100%
3cd0RCSB PDB    PDBbind441aa, >3CD0_1|Chains... at 100%
3cd5RCSB PDB    PDBbind441aa, >3CD5_1|Chains... at 100%
3cd7RCSB PDB    PDBbind441aa, >3CD7_1|Chains... at 100%
3cdaRCSB PDB    PDBbind441aa, >3CDA_1|Chains... at 100%
3cdbRCSB PDB    PDBbind441aa, >3CDB_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID2r4f
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameHMG-CoA reductase
Ligand NameRIE
EC.Number E.C.1.1.1.34
Resolution 1.7(Å)
Affinity (Kd/Ki/IC50)IC50=1.5nM
Release Year2008
Protein/NA SequenceCheck fasta file
Primary Reference (2008) J.Med.Chem. Vol. 51: pp. 31-45
Ligand Properties
Formula C29H36FN3O5
Molecular Weight 525.612
Exact Mass 525.264
No. of atoms 74
No. of bonds 76
Polar Surface Area 115.89
LOGP Value 5.52      (Computed with XLOGP3)
4.49      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 14
No. of Nitrogen and Oxygen Atoms: 8
No. of Rings: 3
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): P04035  
Entrez Gene IDNCBI Entrez Gene ID: 3156  
ASDInformation of known allosteric effects of PDB entries
 
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