Browse entries in the PDBbind-CN Database

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Related entries of code: 3qt6
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3qt7RCSB PDB    PDBbind332aa, >3QT7_1|Chains... at 100%
4dptRCSB PDB    PDBbind332aa, >4DPT_1|Chains... at 100%
4dpuRCSB PDB    PDBbind332aa, >4DPU_1|Chains... at 99%
4dpyRCSB PDB    PDBbind332aa, >4DPY_1|Chains... at 99%
4du8RCSB PDB    PDBbind332aa, >4DU8_1|Chains... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
4dpyRCSB PDB    PDBbind2P0
4du8RCSB PDB    PDBbind2P0
Entry Information
PDB ID3qt6
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameMevalonate diphosphate decarboxylase
Ligand Name2P0
EC.Number E.C.4.1.1.33
Resolution 2.05(Å)
Affinity (Kd/Ki/IC50)Ki=4.3uM
Release Year2011
Protein/NA SequenceCheck fasta file
Primary Reference (2011) J.Biol.Chem. Vol. 286: pp. 23900-23910
Ligand Properties
Formula C7H15NO10P2
Molecular Weight 335.142
Exact Mass 335.017
No. of atoms 35
No. of bonds 35
Polar Surface Area 204.4
LOGP Value -2.36      (Computed with XLOGP3)
-1.65      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 8
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 11
No. of Rings: 1
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): Q9FD73  
Entrez Gene IDNCBI Entrez Gene ID: 50019476  
ASDInformation of known allosteric effects of PDB entries
 
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