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Structure paper

TitleThe Determination of Protonation States in Proteins.
Journal, issue, pagesActa Crystallogr. ,Sect. D, Vol. 63, Page 906-, Year 2007
Publish dateMar 1, 2007 (structure data deposition date)
AuthorsAhmed, H.U. / Blakeley, M.P. / Cianci, M. / Cruickshank, D.W.J. / Hubbard, J.A. / Helliwell, J.R.
External linksActa Crystallogr. ,Sect. D / PubMed:17642517
MethodsX-ray diffraction / neutron diffraction
Resolution0.94 - 2.2 Å
Structure data

PDB-2uu8:
X-ray structure of Ni, Ca concanavalin A at Ultra-high resolution (0. 94A)
Method: X-RAY DIFFRACTION / Resolution: 0.94 Å

PDB-2uuf:
Thrombin-hirugen binary complex at 1.26A resolution
Method: X-RAY DIFFRACTION / Resolution: 1.26 Å

PDB-2uuj:
Thrombin-hirugen-gw473178 ternary complex at 1.32A resolution
Method: X-RAY DIFFRACTION / Resolution: 1.32 Å

PDB-2uuk:
Thrombin-hirugen-gw420128 ternary complex at 1.39A resolution
Method: X-RAY DIFFRACTION / Resolution: 1.39 Å

PDB-2yz4:
The neutron structure of concanavalin A at 2.2 Angstroms
Method: NEUTRON DIFFRACTION / Resolution: 2.2 Å

Chemicals

ChemComp-NI:
NICKEL (II) ION

ChemComp-CA:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-NA:
Unknown entry

ChemComp-896:
N-ETHYL-N-ISOPROPYL-3-METHYL-5-{[(2S)-2-(PYRIDIN-4-YLAMINO)PROPYL]OXY}BENZAMIDE

ChemComp-897:
N-[3-(TERT-BUTYLAMINO)-3-OXOPROPYL]-N-ISOPROPYL-3-METHYL-5-{[(2S)-2-(PYRIDIN-4-YLAMINO)PROPYL]OXY}BENZAMIDE

ChemComp-MN:
Unknown entry

ChemComp-DOD:
DEUTERATED WATER

Source
  • canavalia ensiformis (jack bean)
  • homo sapiens (human)
  • hirudo medicinalis (medicinal leech)
KeywordsLECTIN / CALCIUM / MANGANESE / METAL-BINDING / NI / HYDROLASE/HYDROLASE INHIBITOR / SERINE PROTEASE INHIBITOR / GAMMA-CARBOXYGLUTAMIC ACID / GLYCOPROTEIN / SERINE PROTEASE / THROMBIN / PROTEASE / SULFATION / ACUTE PHASE / HIGH RESOLUTION / DISEASE MUTATION / SERINE PROTEINASE / BLOOD COAGULATION / PROTEASE INHIBITOR / BLOOD CLOTTING / CLEAVAGE ON PAIR OF BASIC RESIDUES / HIRUGEN / KRINGLE / ZYMOGEN / SECRETED / HYDROLASE-HYDROLASE INHIBITOR COMPLEX / NON-COVALENT ACTIVE SITE INHIBITOR / SUGAR BINDING PROTEIN / PROTONATION STATES

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