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Author
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IF

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Structure paper

TitleMolecular-dynamics simulation methods for macromolecular crystallography.
Journal, issue, pagesActa Crystallogr D Struct Biol, Vol. 79, Page 50-65, Year 2023
Publish dateMar 31, 2022 (structure data deposition date)
AuthorsWych, D.C. / Aoto, P.C. / Vu, L. / Wolff, A.M. / Mobley, D.L. / Fraser, J.S. / Taylor, S.S. / Wall, M.E.
External linksActa Crystallogr D Struct Biol / PubMed:36601807
MethodsX-ray diffraction
Resolution1.63 - 2.4 Å
Structure data

PDB-7ujx:
Structure of cAMP-dependent protein kinase using a MD-MX procedure, produced using 2.4 Angstrom data
Method: X-RAY DIFFRACTION / Resolution: 2.4 Å

PDB-7v0g:
Structure of cAMP-dependent protein kinase using a MD-MX procedure, produced using 1.63 Angstrom data
Method: X-RAY DIFFRACTION / Resolution: 1.63 Å

Chemicals

ChemComp-ADP:
ADENOSINE-5'-DIPHOSPHATE / ADP, energy-carrying molecule*YM

ChemComp-PO4:
PHOSPHATE ION

ChemComp-MG:
Unknown entry

ChemComp-HOH:
WATER

Source
  • mus musculus (house mouse)
  • homo sapiens (human)
KeywordsTRANSFERASE/INHIBITOR / protein kinase activity / cAMP-dependent protein kinase activity / TRANSFERASE / TRANSFERASE-INHIBITOR complex

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