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Related entries of code: 4nat
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4nahRCSB PDB    PDBbind160aa, >4NAH_1|Chains... *
4nauRCSB PDB    PDBbind160aa, >4NAU_1|Chains... 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 ID4nat
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NamePhosphopantetheine adenylyltransferase
Ligand Name2W5
EC.Number E.C.2.7.7.3
Resolution 1.72(Å)
Affinity (Kd/Ki/IC50)IC50=330nM
Release Year2014
Protein/NA SequenceCheck fasta file
Primary Reference (2013) Antimicrob.Agents Chemother. Vol. 57: pp. 6005-6015
Ligand Properties
Formula C20H23Cl2N3O3
Molecular Weight 424.321
Exact Mass 423.112
No. of atoms 51
No. of bonds 53
Polar Surface Area 73.34
LOGP Value 4.50      (Computed with XLOGP3)
4.78      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 7
No. of Nitrogen and Oxygen Atoms: 6
No. of Rings: 3
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): P63820  
Entrez Gene IDNCBI Entrez Gene ID: 58066981  
ASDInformation of known allosteric effects of PDB entries
 
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