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Structure paper

TitleComputer-aided design of a cyclic di-AMP synthesizing enzyme CdaA inhibitor.
Journal, issue, pagesMicrolife, Vol. 4, Page uqad021-uqad021, Year 2023
Publish dateJan 4, 2023 (structure data deposition date)
AuthorsNeumann, P. / Kloskowski, P. / Ficner, R.
External linksMicrolife / PubMed:37223749
MethodsX-ray diffraction
Resolution1.2 - 1.97 Å
Structure data

PDB-8c4j:
CdaA-compound 4 complex
Method: X-RAY DIFFRACTION / Resolution: 1.83 Å

PDB-8c4m:
CdaA-Adenosine complex
Method: X-RAY DIFFRACTION / Resolution: 1.51 Å

PDB-8c4n:
CdaA-AMP complex
Method: X-RAY DIFFRACTION / Resolution: 1.75 Å

PDB-8c4o:
CdaA-ATP complex
Method: X-RAY DIFFRACTION / Resolution: 1.97 Å

PDB-8c4p:
CdaA-compound 7 complex
Method: X-RAY DIFFRACTION / Resolution: 1.2 Å

PDB-8c4q:
CdaA-Apo
Method: X-RAY DIFFRACTION / Resolution: 1.45 Å

PDB-8c4r:
CdaA-adenine complex
Method: X-RAY DIFFRACTION / Resolution: 1.55 Å

Chemicals

ChemComp-TI5:
5-methylpyrimidin-4-amine

ChemComp-CL:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-ADN:
ADENOSINE

ChemComp-AMP:
ADENOSINE MONOPHOSPHATE / AMP*YM

ChemComp-NA:
Unknown entry

ChemComp-MN:
Unknown entry

ChemComp-ATP:
ADENOSINE-5'-TRIPHOSPHATE / ATP, energy-carrying molecule*YM

ChemComp-MG:
Unknown entry

ChemComp-TJ9:
~{N}-[5-(2-azanyl-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-yl]ethanamide

ChemComp-ADE:
ADENINE

Source
  • listeria monocytogenes (bacteria)
KeywordsPROTEIN BINDING / Complex

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