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Structure paper

TitleCombining structural and coevolution information to unveil allosteric sites.
Journal, issue, pagesChem Sci, Vol. 14, Page 7057-7067, Year 2023
Publish dateApr 5, 2023 (structure data deposition date)
AuthorsLa Sala, G. / Pfleger, C. / Kack, H. / Wissler, L. / Nevin, P. / Bohm, K. / Janet, J.P. / Schimpl, M. / Stubbs, C.J. / De Vivo, M. ...La Sala, G. / Pfleger, C. / Kack, H. / Wissler, L. / Nevin, P. / Bohm, K. / Janet, J.P. / Schimpl, M. / Stubbs, C.J. / De Vivo, M. / Tyrchan, C. / Hogner, A. / Gohlke, H. / Frolov, A.I.
External linksChem Sci / PubMed:37389247
MethodsX-ray diffraction
Resolution1.384 Å
Structure data

PDB-8oog:
Crystal structure of human MAT2a with S-Adenosylmethionine and a fragment bound in a novel pocket
Method: X-RAY DIFFRACTION / Resolution: 1.384 Å

Chemicals

ChemComp-SAM:
S-ADENOSYLMETHIONINE

ChemComp-VUO:
6-oxidanyl-1,3-benzoxathiol-2-one

ChemComp-DMS:
DIMETHYL SULFOXIDE / DMSO, precipitant*YM

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / methionine adenosyltransferase / s-adenosylmethionine synthetase / fragment screen / allosteric binder

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