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Related entries of code: 3h0s
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%
3tv5RCSB PDB    PDBbind769aa, >3TV5_1|Chains... at 98%
3tvwRCSB PDB    PDBbind769aa, >3TVW_1|Chains... at 98%
4wyoRCSB PDB    PDBbind769aa, >4WYO_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 ID3h0s
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameAcetyl-CoA carboxylase
Ligand NameB38
EC.Number E.C.6.4.1.2
Resolution 2.43(Å)
Affinity (Kd/Ki/IC50)IC50=634nM
Release Year2010
Protein/NA SequenceCheck fasta file
Primary Reference (2010) Bioorg.Med.Chem.Lett. Vol. 20: pp. 2383-2388
Ligand Properties
Formula C22H21N3O3
Molecular Weight 375.420
Exact Mass 375.158
No. of atoms 49
No. of bonds 53
Polar Surface Area 75.29
LOGP Value 2.90      (Computed with XLOGP3)
3.45      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 2
No. of Nitrogen and Oxygen Atoms: 6
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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