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Related entries of code: 3pwk
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2gz2RCSB PDB    PDBbind366aa, >2GZ2_1|Chains... *
4r3wRCSB PDB    PDBbind366aa, >4R3W_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 ID3pwk
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameAspartate-semialdehyde dehydrogenase
Ligand NameL14
EC.Number E.C.1.2.1.11
Resolution 1.5(Å)
Affinity (Kd/Ki/IC50)Ki=0.45mM
Release Year2012
Protein/NA SequenceCheck fasta file
Primary Reference (2012) Chem.Biol.Drug Des. Vol. 79: pp. 128-136
Ligand Properties
Formula C8H12O4
Molecular Weight 172.178
Exact Mass 172.074
No. of atoms 24
No. of bonds 24
Polar Surface Area 74.6
LOGP Value 2.89      (Computed with XLOGP3)
0.96      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 0
No. of Nitrogen and Oxygen Atoms: 4
No. of Rings: 1
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 ACNo matched UniProt accession number (AC) found!
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries

 
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