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Structure paper

TitleStructure analysis reveals the flexibility of the ADAMTS-5 active site.
Journal, issue, pagesProtein Sci., Vol. 20, Page 735-744, Year 2011
Publish dateJan 26, 2010 (structure data deposition date)
AuthorsShieh, H.S. / Tomasselli, A.G. / Mathis, K.J. / Schnute, M.E. / Woodard, S.S. / Caspers, N. / Williams, J.M. / Kiefer, J.R. / Munie, G. / Wittwer, A. ...Shieh, H.S. / Tomasselli, A.G. / Mathis, K.J. / Schnute, M.E. / Woodard, S.S. / Caspers, N. / Williams, J.M. / Kiefer, J.R. / Munie, G. / Wittwer, A. / Malfait, A.M. / Tortorella, M.D.
External linksProtein Sci. / PubMed:21370305
MethodsX-ray diffraction
Resolution1.6 - 2 Å
Structure data

PDB-3ljt:
Crystal Structure of the Catalytic Domain of ADAMTS-5 in Complex with an Amino-2-indanol compound
Method: X-RAY DIFFRACTION / Resolution: 1.6 Å

PDB-3ljz:
Crystal Structure of Human MMP-13 complexed with an Amino-2-indanol compound
Method: X-RAY DIFFRACTION / Resolution: 2 Å

Chemicals

ChemComp-LA3:
(2R)-2-[4-(1,3-benzodioxol-5-yl)benzyl]-N~4~-hydroxy-N~1~-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]butanediamide

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-ZN:
Unknown entry

ChemComp-CA:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-SO4:
SULFATE ION

ChemComp-EPE:
4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID / pH buffer*YM

Source
  • homo sapiens (human)
KeywordsHYDROLASE / alpha/beta structure / central five stranded beta-sheet / Cleavage on pair of basic residues / Disulfide bond / Extracellular matrix / Glycoprotein / Metal-binding / Metalloprotease / Protease / Secreted / Zymogen / HYDROLASE/HYDROLASE INHIBITOR / MMP-13 inhibitor; zinc chelating agent; S1' pocket / Collagen degradation / Disease mutation / HYDROLASE-HYDROLASE INHIBITOR complex

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