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Structure paper

TitleStructures of a non-ribosomal peptide synthetase condensation domain suggest the basis of substrate selectivity.
Journal, issue, pagesNat Commun, Vol. 12, Page 2511-2511, Year 2021
Publish dateNov 29, 2020 (structure data deposition date)
AuthorsIzore, T. / Candace Ho, Y.T. / Kaczmarski, J.A. / Gavriilidou, A. / Chow, K.H. / Steer, D.L. / Goode, R.J.A. / Schittenhelm, R.B. / Tailhades, J. / Tosin, M. ...Izore, T. / Candace Ho, Y.T. / Kaczmarski, J.A. / Gavriilidou, A. / Chow, K.H. / Steer, D.L. / Goode, R.J.A. / Schittenhelm, R.B. / Tailhades, J. / Tosin, M. / Challis, G.L. / Krenske, E.H. / Ziemert, N. / Jackson, C.J. / Cryle, M.J.
External linksNat Commun / PubMed:33947858
MethodsX-ray diffraction
Resolution1.9 - 2.3 Å
Structure data

PDB-7kvw:
Non-ribosomal didomain (holo-PCP-C) acceptor bound state
Method: X-RAY DIFFRACTION / Resolution: 2.18 Å

PDB-7kw0:
Non-ribosomal didomain (stabilised glycine-PCP-C) acceptor bound state
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

PDB-7kw2:
Non-ribosomal didomain (holo-PCP-C) acceptor bound state, R2577G
Method: X-RAY DIFFRACTION / Resolution: 2 Å

PDB-7kw3:
Non Ribosomal PCP domain
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

Chemicals

ChemComp-PNS:
4'-PHOSPHOPANTETHEINE

ChemComp-HOH:
WATER

ChemComp-XAG:
N-{2-[(2-aminoethyl)sulfanyl]ethyl}-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide

ChemComp-SO4:
SULFATE ION

Source
  • thermobifida fusca (bacteria)
KeywordsBIOSYNTHETIC PROTEIN / NRPS / C-domain / PCP-domain

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