1f0n

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[[Image:1f0n.gif|left|200px]]
[[Image:1f0n.gif|left|200px]]
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{{Structure
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|PDB= 1f0n |SIZE=350|CAPTION= <scene name='initialview01'>1f0n</scene>, resolution 1.80&Aring;
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The line below this paragraph, containing "STRUCTURE_1f0n", creates the "Structure Box" on the page.
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|SITE=
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|LIGAND= <scene name='pdbligand=MES:2-(N-MORPHOLINO)-ETHANESULFONIC+ACID'>MES</scene>, <scene name='pdbligand=MPD:(4S)-2-METHYL-2,4-PENTANEDIOL'>MPD</scene>
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|DOMAIN=<span class='plainlinks'>[http://www.ncbi.nlm.nih.gov/Structure/cdd/cddsrv.cgi?uid=COG0627 COG0627], [http://www.ncbi.nlm.nih.gov/Structure/cdd/cddsrv.cgi?uid=pfam00756 Esterase]</span>
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{{STRUCTURE_1f0n| PDB=1f0n | SCENE= }}
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|RELATEDENTRY=[[1f0p|1F0P]], [[1dqz|1DQZ]], [[1dqy|1DQY]]
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|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1f0n FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1f0n OCA], [http://www.ebi.ac.uk/pdbsum/1f0n PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=1f0n RCSB]</span>
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}}
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'''MYCOBACTERIUM TUBERCULOSIS ANTIGEN 85B'''
'''MYCOBACTERIUM TUBERCULOSIS ANTIGEN 85B'''
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[[Category: TBSGC, TB Structural Genomics Consortium.]]
[[Category: TBSGC, TB Structural Genomics Consortium.]]
[[Category: 30kda secretory protein]]
[[Category: 30kda secretory protein]]
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[[Category: antigen 85b]]
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[[Category: Antigen 85b]]
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[[Category: mycolyl transferase]]
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[[Category: Mycolyl transferase]]
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[[Category: protein structure initiative]]
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[[Category: Protein structure initiative]]
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[[Category: psi]]
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[[Category: Psi]]
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[[Category: structural genomic]]
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[[Category: Structural genomic]]
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[[Category: tb structural genomics consortium]]
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[[Category: Tb structural genomics consortium]]
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[[Category: tbsgc]]
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[[Category: Tbsgc]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Fri May 2 15:45:02 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun Mar 30 20:13:29 2008''
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Revision as of 12:45, 2 May 2008

Image:1f0n.gif

Template:STRUCTURE 1f0n

MYCOBACTERIUM TUBERCULOSIS ANTIGEN 85B


Overview

The Mycobacterium tuberculosis 30 kDa major secretory protein (antigen 85B) is the most abundant protein exported by M. tuberculosis, as well as a potent immunoprotective antigen and a leading drug target. A mycolyl transferase of 285 residues, it is closely related to two other mycolyl transferases, each of molecular mass 32 kDa: antigen 85A and antigen 85C. All three catalyze transfer of the fatty acid mycolate from one trehalose monomycolate to another, resulting in trehalose dimycolate and free trehalose, thus helping to build the bacterial cell wall. We have determined two crystal structures of M. tuberculosis antigen 85B (ag85B), initially by molecular replacement using antigen 85C as a probe. The apo ag85B model is refined against 1.8 A data, to an R-factor of 0.196 (R(free) is 0.276), and includes all residues except the N-terminal Phe. The active site immobilizes a molecule of the cryoprotectant 2-methyl-2,4-pentanediol. Crystal growth with addition of trehalose resulted in a second ag85B crystal structure (1.9 A resolution; R-factor is 0.195; R(free) is 0.285). Trehalose binds in two sites at opposite ends of the active-site cleft. In our proposed mechanism model, the trehalose at the active site Ser126 represents the trehalose liberated by temporary esterification of Ser126, while the other trehalose represents the incoming trehalose monomycolate just prior to swinging over to the first trehalose site to displace the mycolate from its serine ester. Our proposed interfacial mechanism minimizes aqueous exposure of the apolar mycolates. Based on the trehalose-bound structure, we suggest a new class of antituberculous drugs, made by connecting two trehalose molecules by an amphipathic linker.

About this Structure

1F0N is a Single protein structure of sequence from Mycobacterium tuberculosis. Full crystallographic information is available from OCA.

Reference

An interfacial mechanism and a class of inhibitors inferred from two crystal structures of the Mycobacterium tuberculosis 30 kDa major secretory protein (Antigen 85B), a mycolyl transferase., Anderson DH, Harth G, Horwitz MA, Eisenberg D, J Mol Biol. 2001 Mar 23;307(2):671-81. PMID:11254389 Page seeded by OCA on Fri May 2 15:45:02 2008

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