Browse entries in the PDBbind-CN Database

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Related entries of code: 3cdb
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%
2r4fRCSB PDB    PDBbind441aa, >2R4F_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%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID3cdb
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein Name3-hydroxy-3-methylglutaryl-coenzyme A reductase
Ligand Name9HI
EC.Number E.C.1.1.1.34
Resolution 2.3(Å)
Affinity (Kd/Ki/IC50)Kd=95.7nM
Release Year2008
Protein/NA SequenceCheck fasta file
Primary Reference (2008) J.Med.Chem. Vol. 51: pp. 3804-3813
Ligand Properties
Formula C33H35F2N3O7S
Molecular Weight 655.709
Exact Mass 655.216
No. of atoms 81
No. of bonds 84
Polar Surface Area 180.33
LOGP Value 5.07      (Computed with XLOGP3)
6.95      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 7
No. of Rotatable Bonds: 15
No. of Nitrogen and Oxygen Atoms: 10
No. of Rings: 4
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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