2dko
From Proteopedia
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|PDB= 2dko |SIZE=350|CAPTION= <scene name='initialview01'>2dko</scene>, resolution 1.06Å | |PDB= 2dko |SIZE=350|CAPTION= <scene name='initialview01'>2dko</scene>, resolution 1.06Å | ||
|SITE= | |SITE= | ||
| - | |LIGAND= | + | |LIGAND= <scene name='pdbligand=AKL:3-AMINO-5-CHLORO-4-OXOPENTANOIC+ACID'>AKL</scene> |
|ACTIVITY= | |ACTIVITY= | ||
|GENE= | |GENE= | ||
| + | |DOMAIN= | ||
| + | |RELATEDENTRY= | ||
| + | |RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2dko FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2dko OCA], [http://www.ebi.ac.uk/pdbsum/2dko PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=2dko RCSB]</span> | ||
}} | }} | ||
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[[Category: tetrahedral intermediate]] | [[Category: tetrahedral intermediate]] | ||
| - | ''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 02:35:53 2008'' |
Revision as of 23:35, 30 March 2008
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| , resolution 1.06Å | |||||||
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| Ligands: | |||||||
| Resources: | FirstGlance, OCA, PDBsum, RCSB | ||||||
| Coordinates: | save as pdb, mmCIF, xml | ||||||
Extended substrate recognition in caspase-3 revealed by high resolution X-ray structure analysis
Overview
Caspases are cysteine proteases involved in the signalling cascades of programmed cell death in which caspase-3 plays a central role, since it propagates death signals from intrinsic and extrinsic stimuli to downstream targets. The atomic resolution (1.06 Angstroms) crystal structure of the caspase-3 DEVD-cmk complex reveals the structural basis for substrate selectivity in the S4 pocket. A low-barrier hydrogen bond is observed between the side-chains of the P4 inhibitor aspartic acid and Asp179 of the N-terminal tail of the symmetry related p12 subunit. Site-directed mutagenesis of Asp179 confirmed the significance of this residue in substrate recognition. In the 1.06 Angstroms crystal structure, a radiation damage induced rearrangement of the inhibitor methylketone moiety was observed. The carbon atom that in a substrate would represent the scissile peptide bond carbonyl carbon clearly shows a tetrahedral coordination and resembles the postulated tetrahedral intermediate of the acylation reaction.
About this Structure
2DKO is a Protein complex structure of sequences from Homo sapiens. Full crystallographic information is available from OCA.
Reference
Extended substrate recognition in caspase-3 revealed by high resolution X-ray structure analysis., Ganesan R, Mittl PR, Jelakovic S, Grutter MG, J Mol Biol. 2006 Jun 23;359(5):1378-88. Epub 2006 May 11. PMID:16787777
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