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Related entries of code: 4wyo
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1uysRCSB PDB    PDBbind737aa, >1UYS_1|Chains... at 100%
1w2xRCSB PDB    PDBbind758aa, >1W2X_1|Chains... at 100%
3h0jRCSB PDB    PDBbind769aa, >3H0J_1|Chains... *
3h0qRCSB PDB    PDBbind769aa, >3H0Q_1|Chains... at 100%
3h0sRCSB PDB    PDBbind769aa, >3H0S_1|Chains... at 100%
3tv5RCSB PDB    PDBbind769aa, >3TV5_1|Chains... at 98%
3tvwRCSB PDB    PDBbind769aa, >3TVW_1|Chains... at 98%
4wz8RCSB PDB    PDBbind769aa, >4WZ8_1|Chains... at 98%
5ctbRCSB PDB    PDBbind769aa, >5CTB_1|Chains... at 98%
5ctcRCSB PDB    PDBbind769aa, >5CTC_1|Chains... at 98%
5cteRCSB PDB    PDBbind769aa, >5CTE_1|Chains... at 98%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID4wyo
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namehuman-yeast chimera acetyl coA carboxylase CT domain
Ligand Name3W2
EC.Number E.C.6.4.1.2
Resolution 2.89(Å)
Affinity (Kd/Ki/IC50)IC50=111nM
Release Year2015
Protein/NA SequenceCheck fasta file
Primary Reference (2014) J.Med.Chem. Vol. 57: pp. 10512-10526
Ligand Properties
Formula C22H25N5O3
Molecular Weight 407.466
Exact Mass 407.196
No. of atoms 55
No. of bonds 59
Polar Surface Area 93.11
LOGP Value 2.07      (Computed with XLOGP3)
3.09      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 3
No. of Nitrogen and Oxygen Atoms: 8
No. of Rings: 5
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): Q00955  
Entrez Gene IDNCBI Entrez Gene ID: 855750  
ASDInformation of known allosteric effects of PDB entries
 
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