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TitleCatalytic Redundancies and Conformational Plasticity Drives Selectivity and Promiscuity in Quorum Quenching Lactonases.
Journal, issue, pagesJacs Au, Vol. 4, Page 3519-3536, Year 2024
Publish dateMar 8, 2024 (structure data deposition date)
AuthorsCorbella, M. / Bravo, J. / Demkiv, A.O. / Calixto, A.R. / Sompiyachoke, K. / Bergonzi, C. / Brownless, A.R. / Elias, M.H. / Kamerlin, S.C.L.
External linksJacs Au / PubMed:39328773
MethodsX-ray diffraction
Resolution1.85 - 2.35 Å
Structure data

PDB-9ayt:
Structure of the quorum quenching lactonase GcL bound to N-hexanoyl-L-homoserine lactone
Method: X-RAY DIFFRACTION / Resolution: 2.1 Å

PDB-9b2i:
Structure of the quorum quenching lactonase GcL G156P mutant
Method: X-RAY DIFFRACTION / Resolution: 2.35 Å

PDB-9b2j:
Structure of the quorum quenching lactonase GcL I237M mutant
Method: X-RAY DIFFRACTION / Resolution: 2.35 Å

PDB-9b2l:
Structure of the quorum quenching lactonase GcL D122N mutant - bimetallic center
Method: X-RAY DIFFRACTION / Resolution: 2.2 Å

PDB-9b2n:
Structure of the quorum quenching lactonase GcL D122N mutant - monometal center
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

PDB-9b2o:
Structure of the quorum quenching lactonase GcL bound to the hydrolysis product of N-octanoyl-L-homoserine lactone
Method: X-RAY DIFFRACTION / Resolution: 1.85 Å

PDB-9b2p:
Structure of the quorum quenching lactonase GcL D122N mutant - bimetallic metal center - C2 space group
Method: X-RAY DIFFRACTION / Resolution: 2.25 Å

Chemicals

ChemComp-CO:
Unknown entry

ChemComp-FE:
Unknown entry

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-ACT:
ACETATE ION

ChemComp-HL6:
N-[(3S)-2-oxotetrahydrofuran-3-yl]hexanamide

ChemComp-1PE:
PENTAETHYLENE GLYCOL / precipitant*YM

ChemComp-SO4:
SULFATE ION

ChemComp-HOH:
WATER

ChemComp-PGE:
TRIETHYLENE GLYCOL

ChemComp-GOL:
GLYCEROL

ChemComp-PEG:
DI(HYDROXYETHYL)ETHER

PDB-1ai3:
ORBITAL STEERING IN THE CATALYTIC POWER OF ENZYMES: SMALL STRUCTURAL CHANGES WITH LARGE CATALYTIC CONSEQUENCES

Source
  • parageobacillus caldoxylosilyticus (bacteria)
KeywordsHYDROLASE / quorum sensing / quorum quenching / lactonase / metalloenzyme / HYDROLASE/PRODUCT / HYDROLASE-PRODUCT complex

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