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TitleSubstrate Induced Movement of the Metal Cofactor between Active and Resting State.
Journal, issue, pagesAngew. Chem. Int. Ed. Engl., Vol. 61, Page e202213338-e202213338, Year 2022
Publish dateFeb 25, 2021 (structure data deposition date)
AuthorsMarsden, S.R. / Wijma, H.J. / Mohr, M.K.F. / Justo, I. / Hagedoorn, P.L. / Laustsen, J. / Jeffries, C.M. / Svergun, D. / Mestrom, L. / McMillan, D.G.G. ...Marsden, S.R. / Wijma, H.J. / Mohr, M.K.F. / Justo, I. / Hagedoorn, P.L. / Laustsen, J. / Jeffries, C.M. / Svergun, D. / Mestrom, L. / McMillan, D.G.G. / Bento, I. / Hanefeld, U.
External linksAngew. Chem. Int. Ed. Engl. / PubMed:36214476
MethodsX-ray diffraction
Resolution1.2 - 2.3 Å
Structure data

PDB-7nnk:
Crystal structure of S116A mutant of hydroxy ketone aldolase (SwHKA) from Sphingomonas wittichii RW1 in complex with hydroxypyruvate
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

PDB-7nr1:
Crystal structure of holo-S116A mutant of Hydroxy ketone aldolase (SwHKA) from Sphingomonas wittichii RW1
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

PDB-7nuj:
Crystal structure of holo-SwHPA-Mg (hydroxy ketone aldolase) from Sphingomonas wittichii RW1
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

PDB-7o5i:
Crystal structure of apo-SwHKA (Hydroxy ketone aldolase) from Sphingomonas wittichii RW1
Method: X-RAY DIFFRACTION / Resolution: 1.35 Å

PDB-7o5r:
Crystal structure of holo-SwHPA-Mn (hydroxyketoacid aldolase) from Sphingomonas wittichii RW1
Method: X-RAY DIFFRACTION / Resolution: 1.65 Å

PDB-7o5v:
Crystal structure of holo-H44A mutant of Hydroxy ketone aldolase (SwHKA) from Sphingomonas wittichii RW1, in complex with Hydroxypyruvate
Method: X-RAY DIFFRACTION / Resolution: 1.95 Å

PDB-7o5w:
Crystal structure of holo-F210W mutant of Hydroxy ketone aldolase (SwHKA)from Sphingomonas wittichii RW1
Method: X-RAY DIFFRACTION / Resolution: 1.2 Å

PDB-7o87:
Crystal structure of holo-F210W mutant of Hydroxy ketone aldolase (SwHKA) from Sphingomonas wittichii RW1 in complex with hydroxypyruvate
Method: X-RAY DIFFRACTION / Resolution: 1.5 Å

PDB-7o9r:
Crystal structure of holo-H44A mutant of Hydroxy ketone aldolase (SwHKA) from Sphingomonas wittichii RW1
Method: X-RAY DIFFRACTION / Resolution: 1.85 Å

PDB-7obu:
Crystal structure of holo-F210W mutant of Hydroxy ketone aldolase (SwHKA) from Sphingomonas wittichii RW1, with the active site in the resting and the active state
Method: X-RAY DIFFRACTION / Resolution: 1.2 Å

PDB-8adq:
Crystal structure of holo-SwHPA-Mg (hydroxy ketone aldolase) from Sphingomonas wittichii RW1 in complex with hydroxypyruvate and D-Glyceraldehyde
Method: X-RAY DIFFRACTION / Resolution: 1.6 Å

Chemicals

ChemComp-3PY:
3-HYDROXYPYRUVIC ACID

ChemComp-MG:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-PEG:
DI(HYDROXYETHYL)ETHER

ChemComp-BR:
BROMIDE ION

ChemComp-K:
Unknown entry

ChemComp-MN:
Unknown entry

ChemComp-3GR:
D-Glyceraldehyde

Source
  • sphingomonas wittichii (strain rw1 / dsm 6014 / jcm 10273) (bacteria)
  • sphingomonas wittichii rw1 (bacteria)
  • rhizorhabdus wittichii rw1 (bacteria)
KeywordsLYASE / Class II Pyruvate Aldolase / Metal Dependent / Aldol Reaction / Hydroxypyruvate / Pyruvate / Aldolase / Class II / Metal dependent aldolase / Magnesium / carbon bond formation / apo / holo / Manganese / Hydroxupyruvate / mutant / Hydroxy-keto aldolase; aldol condensation; aldol cleavage; stereospecificity; TIM barrel fold

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