2cjx

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|PDB= 2cjx |SIZE=350|CAPTION= <scene name='initialview01'>2cjx</scene>, resolution 1.70&Aring;
|PDB= 2cjx |SIZE=350|CAPTION= <scene name='initialview01'>2cjx</scene>, resolution 1.70&Aring;
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|LIGAND= <scene name='pdbligand=ASK:DEHYDROXYMETHYLASPARTIC+ACID'>ASK</scene>
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|ACTIVITY=
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|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2cjx FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2cjx OCA], [http://www.ebi.ac.uk/pdbsum/2cjx PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=2cjx RCSB]</span>
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[[Category: zymogen]]
[[Category: zymogen]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 16:16:20 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 02:22:40 2008''

Revision as of 23:22, 30 March 2008

Image:2cjx.gif


PDB ID 2cjx

Drag the structure with the mouse to rotate
, resolution 1.70Å
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

2CJX 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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