Browse entries in the PDBbind-CN Database

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Related entries of code: 3acw
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2zcqRCSB PDB    PDBbind293aa, >2ZCQ_1|Chain... *
2zcrRCSB PDB    PDBbind293aa, >2ZCR_1|Chain... at 100%
2zcsRCSB PDB    PDBbind293aa, >2ZCS_1|Chain... at 100%
2zy1RCSB PDB    PDBbind293aa, >2ZY1_1|Chain... at 100%
3acxRCSB PDB    PDBbind293aa, >3ACX_1|Chain... at 100%
3tfnRCSB PDB    PDBbind293aa, >3TFN_1|Chain... at 100%
3tfpRCSB PDB    PDBbind293aa, >3TFP_1|Chain... at 100%
3tfvRCSB PDB    PDBbind293aa, >3TFV_1|Chain... at 100%
3vjeRCSB PDB    PDBbind293aa, >3VJE_1|Chains... at 99%
4e9uRCSB PDB    PDBbind287aa, >4E9U_1|Chain... at 100%
4ea1RCSB PDB    PDBbind287aa, >4EA1_1|Chain... at 100%
4ea2RCSB PDB    PDBbind287aa, >4EA2_1|Chain... at 100%
4f6vRCSB PDB    PDBbind292aa, >4F6V_1|Chain... at 100%
4f6xRCSB PDB    PDBbind292aa, >4F6X_1|Chain... 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 ID3acw
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameStaphylococcus aureus dehydrosqualene synthase (CrtM)
Ligand Name651
EC.Number E.C.2.5.1.-
Resolution 1.63(Å)
Affinity (Kd/Ki/IC50)Ki=17.5uM
Release Year2010
Protein/NA SequenceCheck fasta file
Primary Reference (2010) Proc.Natl.Acad.Sci.USA, vol. 107, no. 50, pp. 21337-21342
Ligand Properties
Formula C19H22NO
Molecular Weight 280.384
Exact Mass 280.170
No. of atoms 43
No. of bonds 46
Polar Surface Area 24.67
LOGP Value 3.08      (Computed with XLOGP3)
3.42      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 1
No. of Rotatable Bonds: 3
No. of Nitrogen and Oxygen Atoms: 2
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): A9JQL9  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries
 
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