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Structure paper

TitleStructural Characterization of Inhibitors with Selectivity against Members of a Homologous Enzyme Family.
Journal, issue, pagesChem. Biol. Drug Des., Vol. 79, Page 128-136, Year 2012
Publish dateDec 8, 2010 (structure data deposition date)
AuthorsPavlovsky, A.G. / Liu, X. / Faehnle, C.R. / Potente, N. / Viola, R.E.
External linksChem. Biol. Drug Des. / PubMed:22039970
MethodsX-ray diffraction
Resolution1.5 - 2.3 Å
Structure data

PDB-3pwk:
Crystal Structure of Aspartate beta-Semialdehide Dehydrogenase from Streptococcus pneumoniae with 2',5'-Adenosine diphosphate and D-2-aminoadipate
Method: X-RAY DIFFRACTION / Resolution: 1.5 Å

PDB-3pws:
Crystal Structure of Aspartate beta-Semialdehide Dehydrogenase from Streptococcus pneumoniae with 2',5'-Adenosine diphosphate and D-2-aminoadipate
Method: X-RAY DIFFRACTION / Resolution: 2 Å

PDB-3pyl:
Crystal structure of aspartate beta-semialdehide dehydrogenase from Streptococcus pneumoniae with D-2,3-diaminopropionate
Method: X-RAY DIFFRACTION / Resolution: 2.2 Å

PDB-3pyx:
Crystals Structure of Aspartate beta-Semialdehyde Dehydrogenase complex with NADP and 2-aminoterephthalate
Method: X-RAY DIFFRACTION / Resolution: 1.6 Å

PDB-3pzb:
Crystals Structure of Aspartate beta-Semialdehyde Dehydrogenase complex with NADP and D-2,3-Diaminopropionate
Method: X-RAY DIFFRACTION / Resolution: 2 Å

PDB-3pzr:
Crystals structure of aspartate beta-Semialdehyde dehydrogenase from Vibrio Cholerae with NADP and product of S-carbamoyl-L-cysteine
Method: X-RAY DIFFRACTION / Resolution: 1.75 Å

PDB-3q0e:
Crystals Structure of Aspartate beta-Semialdehyde Dehydrogenase from Vibrio Cholerae with product of S-allyl-L-cysteine sulfoxide
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

PDB-3q11:
Crystals Structure of Aspartate beta-Semialdehyde Dehydrogenase from Streptococcus pneumoniae with NADP and aspartyl beta-difluorophosphonate
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

PDB-3q1l:
Crystals Structure of Aspartate beta-Semialdehyde Dehydrogenase from Streptococcus pneumoniae with cysteamine bound covalently to Cys 128
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

Chemicals

ChemComp-25A:
5'-O-MONOPHOSPHORYLADENYLYL(2'->5')ADENYLYL(2'->5')ADENOSINE

ChemComp-L14:
trans-cyclohexane-1,4-dicarboxylic acid

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-NA:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-11C:
(2R)-2-aminohexanedioic acid

ChemComp-A2P:
ADENOSINE-2'-5'-DIPHOSPHATE

ChemComp-2RA:
3-amino-D-alanine

ChemComp-NAP:
NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE

ChemComp-12T:
2-aminobenzene-1,4-dicarboxylic acid

ChemComp-CYS:
CYSTEINE

ChemComp-SO4:
SULFATE ION

ChemComp-ACT:
ACETATE ION

ChemComp-P4F:
5,5-difluoro-4-oxo-5-phosphono-D-norvaline

ChemComp-DHL:
2-AMINO-ETHANETHIOL

Source
  • streptococcus pneumoniae (bacteria)
  • vibrio cholerae (bacteria)
KeywordsOXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR / Dehydrogenase / NADP Binding / OXIDOREDUCTASE-OXIDOREDUCTASE INHIBITOR complex / NADP / OXIDOREDUCTASE / Oxydoreductase

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