3ayk: Difference between revisions
New page: left|200px<br /> <applet load="3ayk" size="450" color="white" frame="true" align="right" spinBox="true" caption="3ayk" /> '''CATALYTIC FRAGMENT OF HUMAN FIBROBLAST COLL... |
No edit summary |
||
| Line 1: | Line 1: | ||
[[Image:3ayk. | [[Image:3ayk.jpg|left|200px]]<br /><applet load="3ayk" size="350" color="white" frame="true" align="right" spinBox="true" | ||
<applet load="3ayk" size=" | |||
caption="3ayk" /> | caption="3ayk" /> | ||
'''CATALYTIC FRAGMENT OF HUMAN FIBROBLAST COLLAGENASE COMPLEXED WITH CGS-27023A, NMR, MINIMIZED AVERAGE STRUCTURE'''<br /> | '''CATALYTIC FRAGMENT OF HUMAN FIBROBLAST COLLAGENASE COMPLEXED WITH CGS-27023A, NMR, MINIMIZED AVERAGE STRUCTURE'''<br /> | ||
| Line 11: | Line 10: | ||
==About this Structure== | ==About this Structure== | ||
3AYK is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens] with ZN, CA and CGS as [http://en.wikipedia.org/wiki/ligands ligands]. Active as [http://en.wikipedia.org/wiki/Interstitial_collagenase Interstitial collagenase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.24.7 3.4.24.7] Full crystallographic information is available from [http:// | 3AYK is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens] with <scene name='pdbligand=ZN:'>ZN</scene>, <scene name='pdbligand=CA:'>CA</scene> and <scene name='pdbligand=CGS:'>CGS</scene> as [http://en.wikipedia.org/wiki/ligands ligands]. Active as [http://en.wikipedia.org/wiki/Interstitial_collagenase Interstitial collagenase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.24.7 3.4.24.7] Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3AYK OCA]. | ||
==Reference== | ==Reference== | ||
| Line 28: | Line 27: | ||
[[Category: metalloprotease]] | [[Category: metalloprotease]] | ||
''Page seeded by [http:// | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Fri Feb 15 17:42:53 2008'' | ||
Revision as of 18:42, 15 February 2008
|
CATALYTIC FRAGMENT OF HUMAN FIBROBLAST COLLAGENASE COMPLEXED WITH CGS-27023A, NMR, MINIMIZED AVERAGE STRUCTURE
OverviewOverview
The solution structure of the catalytic fragment of human fibroblast, collagenase (MMP-1) complexed with a sulfonamide derivative of a, hydroxamic acid compound (CGS-27023A) has been determined using, two-dimensional and three-dimensional heteronuclear NMR spectroscopy. The, solution structure of the complex was calculated by means of hybrid, distance geometry-simulated annealing using a combination of experimental, NMR restraints obtained from the previous refinement of the inhibitor-free, MMP-1 (1) and recent restraints for the MMP-1:CGS-27023A complex. The, hydroxamic acid moiety of CGS-27023A was found to chelate to the "right", of the catalytic zinc where the p-methoxyphenyl sits in the S1', active-site pocket, the isopropyl group is in contact with H83 and N80, and the pyridine ring is solvent exposed. The sulfonyl oxygens are in, hydrogen-bonding distance to the backbone NHs of L81 and A82. This is, similar to the conformation determined by NMR of the inhibitor bound to, stromelysin (2, 3). A total of 48 distance restraints were observed, between MMP-1 and CGS-27023A from 3D 13C-edited/12C-filtered NOESY and 3D, 15N-edited NOESY experiments. An additional 18 intramolecular restraints, were observed for CGS-27023A from a 2D 12C-filtered NOESY experiment. A, minimal set of NMR experiments in combination with the free MMP-1, assignments were used to assign the MMP-1 (1)H, 13C, and 15N resonances in, the MMP-1:CGS-27023A complex. The assignments of CGS-27023A in the complex, were obtained from 2D 12C-filtered NOESY and 2D 12C-filtered TOCSY, experiments.
DiseaseDisease
Known diseases associated with this structure: COPD, rate of decline of lung function in OMIM:[120353]
About this StructureAbout this Structure
3AYK is a Single protein structure of sequence from Homo sapiens with , and as ligands. Active as Interstitial collagenase, with EC number 3.4.24.7 Full crystallographic information is available from OCA.
ReferenceReference
NMR solution structure of the catalytic fragment of human fibroblast collagenase complexed with a sulfonamide derivative of a hydroxamic acid compound., Moy FJ, Chanda PK, Chen JM, Cosmi S, Edris W, Skotnicki JS, Wilhelm J, Powers R, Biochemistry. 1999 Jun 1;38(22):7085-96. PMID:10353819
Page seeded by OCA on Fri Feb 15 17:42:53 2008