1jk3

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[[Image:1jk3.jpg|left|200px]]
[[Image:1jk3.jpg|left|200px]]
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{{Structure
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|PDB= 1jk3 |SIZE=350|CAPTION= <scene name='initialview01'>1jk3</scene>, resolution 1.09&Aring;
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The line below this paragraph, containing "STRUCTURE_1jk3", creates the "Structure Box" on the page.
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|SITE=
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You may change the PDB parameter (which sets the PDB file loaded into the applet)
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|LIGAND= <scene name='pdbligand=BAT:4-(N-HYDROXYAMINO)-2R-ISOBUTYL-2S-(2-THIENYLTHIOMETHYL)SUCCINYL-L-PHENYLALANINE-N-METHYLAMIDE'>BAT</scene>, <scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene>
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or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
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|ACTIVITY= <span class='plainlinks'>[http://en.wikipedia.org/wiki/Macrophage_elastase Macrophage elastase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.24.65 3.4.24.65] </span>
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|GENE=
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|DOMAIN=
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{{STRUCTURE_1jk3| PDB=1jk3 | SCENE= }}
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|RELATEDENTRY=
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|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1jk3 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1jk3 OCA], [http://www.ebi.ac.uk/pdbsum/1jk3 PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=1jk3 RCSB]</span>
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'''Crystal structure of human MMP-12 (Macrophage Elastase) at true atomic resolution'''
'''Crystal structure of human MMP-12 (Macrophage Elastase) at true atomic resolution'''
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[[Category: Maskos, K.]]
[[Category: Maskos, K.]]
[[Category: Tschesche, H.]]
[[Category: Tschesche, H.]]
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[[Category: batimastat]]
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[[Category: Batimastat]]
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[[Category: bb94]]
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[[Category: Bb94]]
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[[Category: complex (elastase/inhibitor)]]
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[[Category: Elastase]]
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[[Category: elastase]]
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[[Category: Hydroxamic acid]]
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[[Category: hydroxamic acid]]
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[[Category: Matrix metalloproteinase]]
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[[Category: matrix metalloproteinase]]
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[[Category: Metallo elastase]]
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[[Category: metallo elastase]]
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[[Category: Mmp12]]
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[[Category: mmp12]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Fri May 2 21:19:07 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun Mar 30 21:34:48 2008''
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Revision as of 18:19, 2 May 2008

Image:1jk3.jpg


PDB ID 1jk3

Drag the structure with the mouse to rotate
1jk3, resolution 1.09Å ()
Ligands: , ,
Activity: Macrophage elastase, with EC number 3.4.24.65
Resources: FirstGlance, OCA, PDBsum, RCSB
Coordinates: save as pdb, mmCIF, xml



Crystal structure of human MMP-12 (Macrophage Elastase) at true atomic resolution


Overview

The macrophage elastase enzyme (MMP-12) expressed mainly in alveolar macrophages has been identified in the mouse lung as the main destructive agent associated with cigarette smoking, which gives rise to emphysema, both directly via elastin degradation and indirectly by disturbing the proteinase/antiproteinase balance via inactivation of the alpha1-proteinase inhibitor (alpha1-PI), the antagonist of the leukocyte elastase. The catalytic domain of human recombinant MMP-12 has been crystallized in complex with the broad-specificity inhibitor batimastat (BB-94). The crystal structure analysis of this complex, determined using X-ray data to 1.1 A and refined to an R-value of 0.165, reveals an overall fold similar to that of other MMPs. However, the S-shaped double loop connecting strands III and IV is fixed closer to the beta-sheet and projects its His172 side-chain further into the rather hydrophobic active-site cleft, defining the S3 and the S1-pockets and separating them from each other to a larger extent than is observed in other MMPs. The S2-site is planar, while the characteristic S1'-subsite is a continuous tube rather than a pocket, in which the MMP-12-specific Thr215 replaces a Val residue otherwise highly conserved in almost all other MMPs. This alteration might allow MMP-12 to accept P1' Arg residues, making it unique among MMPs. The active-site cleft of MMP-12 is well equipped to bind and efficiently cleave the AlaMetPhe-LeuGluAla sequence in the reactive-site loop of alpha1-PI, as occurs experimentally. Similarities in contouring and particularly a common surface hydrophobicity both inside and distant from the active-site cleft explain why MMP-12 shares many substrates with matrilysin (MMP-7). The MMP-12 structure is an excellent template for the structure-based design of specific inhibitors for emphysema therapy and for the construction of mutants to clarify the role of this MMP.

About this Structure

1JK3 is a Single protein structure of sequence from Homo sapiens. Full crystallographic information is available from OCA.

Reference

Substrate specificity determinants of human macrophage elastase (MMP-12) based on the 1.1 A crystal structure., Lang R, Kocourek A, Braun M, Tschesche H, Huber R, Bode W, Maskos K, J Mol Biol. 2001 Sep 28;312(4):731-42. PMID:11575928 Page seeded by OCA on Fri May 2 21:19:07 2008

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