3aig
From Proteopedia
| Line 4: | Line 4: | ||
|PDB= 3aig |SIZE=350|CAPTION= <scene name='initialview01'>3aig</scene>, resolution 2.8Å | |PDB= 3aig |SIZE=350|CAPTION= <scene name='initialview01'>3aig</scene>, resolution 2.8Å | ||
|SITE= | |SITE= | ||
| - | |LIGAND= <scene name='pdbligand= | + | |LIGAND= <scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=FLE:FUROYL-LEUCINE'>FLE</scene>, <scene name='pdbligand=PGA:2-PHOSPHOGLYCOLIC+ACID'>PGA</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=TCR:CYCLOMETHYLTRYPTOPHAN'>TCR</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene> |
| - | |ACTIVITY= [http://en.wikipedia.org/wiki/Adamalysin Adamalysin], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.24.46 3.4.24.46] | + | |ACTIVITY= <span class='plainlinks'>[http://en.wikipedia.org/wiki/Adamalysin Adamalysin], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.24.46 3.4.24.46] </span> |
|GENE= | |GENE= | ||
| + | |DOMAIN= | ||
| + | |RELATEDENTRY= | ||
| + | |RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3aig FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3aig OCA], [http://www.ebi.ac.uk/pdbsum/3aig PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=3aig RCSB]</span> | ||
}} | }} | ||
| Line 27: | Line 30: | ||
[[Category: Meyer, E F.]] | [[Category: Meyer, E F.]] | ||
[[Category: Politi, V.]] | [[Category: Politi, V.]] | ||
| - | [[Category: CA]] | ||
| - | [[Category: FLE]] | ||
| - | [[Category: SO4]] | ||
| - | [[Category: ZN]] | ||
[[Category: metalloprotease]] | [[Category: metalloprotease]] | ||
[[Category: snake venom metalloendopetidase]] | [[Category: snake venom metalloendopetidase]] | ||
[[Category: zinc protease]] | [[Category: zinc protease]] | ||
| - | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on | + | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 05:22:16 2008'' |
Revision as of 02:22, 31 March 2008
| |||||||
| , resolution 2.8Å | |||||||
|---|---|---|---|---|---|---|---|
| Ligands: | , , , , , | ||||||
| Activity: | Adamalysin, with EC number 3.4.24.46 | ||||||
| Resources: | FirstGlance, OCA, PDBsum, RCSB | ||||||
| Coordinates: | save as pdb, mmCIF, xml | ||||||
ADAMALYSIN II WITH PEPTIDOMIMETIC INHIBITOR POL656
Overview
Crotalus adamanteus snake venom adamalysin II is the structural prototype of the adamalysin or ADAM family comprising proteolytic domains of snake venom metalloproteinases, multimodular mammalian reproductive tract proteins, and tumor necrosis factor alpha convertase, TACE, involved in the release of the inflammatory cytokine, TNFalpha. The structure of adamalysin II in noncovalent complex with two small-molecule right-hand side peptidomimetic inhibitors (Pol 647 and Pol 656) has been solved using X-ray diffraction data up to 2.6 and 2.8 A resolution. The inhibitors bind to the S'-side of the proteinase, inserting between two protein segments, establishing a mixed parallel-antiparallel three-stranded beta-sheet and coordinate the central zinc ion in a bidentate manner via their two C-terminal oxygen atoms. The proteinase-inhibitor complexes are described in detail and are compared with other known structures. An adamalysin-based model of the active site of TACE reveals that these small molecules would probably fit into the active site cleft of this latter metalloproteinase, providing a starting model for the rational design of TACE inhibitors.
About this Structure
3AIG is a Single protein structure of sequence from Crotalus adamanteus. Full crystallographic information is available from OCA.
Reference
Structures of adamalysin II with peptidic inhibitors. Implications for the design of tumor necrosis factor alpha convertase inhibitors., Gomis-Ruth FX, Meyer EF, Kress LF, Politi V, Protein Sci. 1998 Feb;7(2):283-92. PMID:9521103
Page seeded by OCA on Mon Mar 31 05:22:16 2008
