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Structure paper

TitleRational design and characterization of d-phe-pro-d-arg-derived direct thrombin inhibitors.
Journal, issue, pagesPlos One, Vol. 7, Page e34354-e34354, Year 2012
Publish dateOct 12, 2011 (structure data deposition date)
AuthorsFigueiredo, A.C. / Clement, C.C. / Zakia, S. / Gingold, J. / Philipp, M. / Pereira, P.J.
External linksPlos One / PubMed:22457833
MethodsX-ray diffraction
Resolution1.28 - 1.861 Å
Structure data

PDB-3u69:
Unliganded wild-type human thrombin
Method: X-RAY DIFFRACTION / Resolution: 1.55 Å

PDB-3u8o:
Human thrombin complexed with D-Phe-Pro-D-Arg-D-Thr
Method: X-RAY DIFFRACTION / Resolution: 1.28 Å

PDB-3u8r:
Human thrombin complexed with D-Phe-Pro-D-Arg-Ile
Method: X-RAY DIFFRACTION / Resolution: 1.47 Å

PDB-3u8t:
Human thrombin complexed with D-Phe-Pro-D-Arg-Cys
Method: X-RAY DIFFRACTION / Resolution: 1.861 Å

Chemicals

ChemComp-NAG:
2-acetamido-2-deoxy-beta-D-glucopyranose

ChemComp-BCN:
BICINE / pH buffer*YM

ChemComp-NA:
Unknown entry

ChemComp-IOD:
IODIDE ION

ChemComp-CL:
Unknown entry

ChemComp-MRD:
(4R)-2-METHYLPENTANE-2,4-DIOL / precipitant*YM

ChemComp-MPD:
(4S)-2-METHYL-2,4-PENTANEDIOL / precipitant*YM

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
  • synthetic construct (others)
KeywordsHYDROLASE / HYDROLASE/HYDROLASE INHIBITOR / HYDROLASE-HYDROLASE INHIBITOR complex

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