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Structure paper

TitleExploring thrombin S3 pocket
Journal, issue, pagesTo be Published
Publish dateJan 10, 2008 (structure data deposition date)
AuthorsBrandt, T. / Baum, B. / Hangauer, D. / Heine, A. / Klebe, G.
External linksSearch PubMed
MethodsX-ray diffraction
Resolution1.75 - 2.1 Å
Structure data

PDB-2zfq:
Exploring thrombin S3 pocket
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

PDB-2zfr:
Exploring thrombin S3 pocket
Method: X-RAY DIFFRACTION / Resolution: 1.85 Å

PDB-2zg0:
Exploring thrombin S3 pocket
Method: X-RAY DIFFRACTION / Resolution: 1.75 Å

PDB-2zhe:
Exploring thrombin S3 pocket
Method: X-RAY DIFFRACTION / Resolution: 2.1 Å

PDB-2zhf:
Exploring thrombin S3 pocket
Method: X-RAY DIFFRACTION / Resolution: 1.98 Å

PDB-2zhw:
Exploring thrombin S3 pocket
Method: X-RAY DIFFRACTION / Resolution: 2.02 Å

Chemicals

ChemComp-NA:
Unknown entry

ChemComp-45U:
(S)-N-(4-carbamimidoylbenzyl)-1-(2-(cyclopentyloxy)ethanoyl)pyrrolidine-2-carboxamide

ChemComp-BEN:
BENZAMIDINE

ChemComp-GOL:
GLYCEROL

ChemComp-HOH:
WATER

ChemComp-46U:
(S)-N-(4-carbamimidoylbenzyl)-1-(2-(cyclohexyloxy)ethanoyl)pyrrolidine-2-carboxamide

ChemComp-50U:
(S)-N-(4-carbamimidoylbenzyl)-1-(3-cyclohexylpropanoyl)pyrrolidine-2-carboxamide

ChemComp-13U:
N-cyclooctylglycyl-N-(4-carbamimidoylbenzyl)-L-prolinamide

ChemComp-49U:
(S)-N-(4-carbamimidoylbenzyl)-1-(3-cyclopentylpropanoyl)pyrrolidine-2-carboxamide

ChemComp-12U:
N-cycloheptylglycyl-N-(4-carbamimidoylbenzyl)-L-prolinamide

Source
  • homo sapiens (human)
  • hirudo medicinalis (medicinal leech)
KeywordsHYDROLASE/HYDROLASE INHIBITOR / Blood coagulation/Hydrolase inhibitors / Acute phase / Cleavage on pair of basic residues / Disease mutation / Gamma-carboxyglutamic acid / Glycoprotein / Kringle / Protease / Secreted / Serine protease / Zymogen / Protease inhibitor / Serine protease inhibitor / Sulfation / HYDROLASE-HYDROLASE INHIBITOR COMPLEX / Blood clotting/Hydrolase inhibitors / Blood coagulation / Hydrolase inhibitors

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