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Related entries of code: 4wz8
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%
4wyoRCSB PDB    PDBbind769aa, >4WYO_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 ID4wz8
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameAcetyl-CoA carboxylase ACC CT Domain
Ligand Name3W7
EC.Number E.C.6.4.1.2
Resolution 2.23(Å)
Affinity (Kd/Ki/IC50)IC50=62nM
Release Year2014
Protein/NA SequenceCheck fasta file
Primary Reference (2014) J.Med.Chem. Vol. 57: pp. 10512-10526
Ligand Properties
Formula C22H25N5O2
Molecular Weight 391.466
Exact Mass 391.201
No. of atoms 54
No. of bonds 58
Polar Surface Area 83.88
LOGP Value 2.40      (Computed with XLOGP3)
3.33      (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: 7
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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