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Structure paper

TitleStructural Basis of Substrate Recognition and Covalent Inhibition of Cdu1 from Chlamydia trachomatis.
Journal, issue, pagesChemMedChem, Vol. 13, Page 2014-2023, Year 2018
Publish dateDec 25, 2017 (structure data deposition date)
AuthorsRamirez, Y.A. / Adler, T.B. / Altmann, E. / Klemm, T. / Tiesmeyer, C. / Sauer, F. / Kathman, S.G. / Statsyuk, A.V. / Sotriffer, C. / Kisker, C.
External linksChemMedChem / PubMed:30028574
MethodsX-ray diffraction
Resolution1.6 - 2.3 Å
Structure data

PDB-6fdk:
Structure of Chlamydia trachomatis effector protein Cdu1 bound to ubiquitin
Method: X-RAY DIFFRACTION / Resolution: 1.6 Å

PDB-6fdq:
Structure of Chlamydia trachomatis effector protein Cdu1 bound to Compound 5
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

PDB-6fdu:
Structure of Chlamydia trachomatis effector protein Cdu1 bound to Compound 3
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

Chemicals

ChemComp-CL:
Unknown entry

ChemComp-AYE:
prop-2-en-1-amine

ChemComp-HOH:
WATER

ChemComp-2UQ:
N-benzyl-2-[(Z)-iminomethyl]pyrimidine-5-carboxamide

ChemComp-D5W:
(2~{S},3~{S})-2-[[(2~{S})-2-[3,5-bis(chloranyl)phenyl]-2-(dimethylamino)ethanoyl]amino]-~{N}-[[2-(iminomethyl)pyrimidin-4-yl]methyl]-3-methyl-pentanamide

Source
  • chlamydia trachomatis 434/bu (bacteria)
  • homo sapiens (human)
  • chlamydia trachomatis serovar l2 (strain 434/bu / atcc vr-902b) (bacteria)
KeywordsHYDROLASE / ChlaDUB1 / CE protease / DUB / Ubiquitin. / Ubiquitin / covalent inhibitor.

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