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Structure paper

TitleFragment screening of Thrombin using a 96 member fragment library
Journal, issue, pagesTo Be Published
Publish dateNov 12, 2018 (structure data deposition date)
AuthorsAbazi, N. / Heine, A. / Klebe, G.
External linksSearch PubMed
MethodsX-ray diffraction
Resolution1.4 Å
Structure data

PDB-6i51:
Thrombin in complex with fragment J02
Method: X-RAY DIFFRACTION / Resolution: 1.4 Å

Chemicals

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

ChemComp-DMS:
DIMETHYL SULFOXIDE / DMSO, precipitant*YM

ChemComp-PO4:
PHOSPHATE ION

ChemComp-NA:
Unknown entry

ChemComp-F05:
1H-isoindol-3-amine

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
  • hirudo medicinalis (medicinal leech)
KeywordsHYDROLASE / COAGULATION / BLOOD CLOTTING / CONVERTION OF FIBRINOGEN TO FIBRIN / BLOOD CLOTTING INHIBITOR / THROMBIN INHIBITOR / PREORGANIZATION / GLYCOSYLATION / BLOOD

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