1n4g

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[[Image:1n4g.gif|left|200px]]<br /><applet load="1n4g" size="350" color="white" frame="true" align="right" spinBox="true"
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[[Image:1n4g.gif|left|200px]]
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caption="1n4g, resolution 1.80&Aring;" />
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'''Structure of CYP121, a Mycobacterial P450, in Complex with Iodopyrazole'''<br />
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{{Structure
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|PDB= 1n4g |SIZE=350|CAPTION= <scene name='initialview01'>1n4g</scene>, resolution 1.80&Aring;
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|SITE=
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|LIGAND= <scene name='pdbligand=HEM:PROTOPORPHYRIN+IX+CONTAINING+FE'>HEM</scene> and <scene name='pdbligand=PYZ:4-IODOPYRAZOLE'>PYZ</scene>
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|ACTIVITY=
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|GENE= CYP121 OR RV2276 OR MT2336 OR MTCY339.34C ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=1773 Mycobacterium tuberculosis])
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}}
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'''Structure of CYP121, a Mycobacterial P450, in Complex with Iodopyrazole'''
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==Overview==
==Overview==
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==About this Structure==
==About this Structure==
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1N4G is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Mycobacterium_tuberculosis Mycobacterium tuberculosis] with <scene name='pdbligand=HEM:'>HEM</scene> and <scene name='pdbligand=PYZ:'>PYZ</scene> as [http://en.wikipedia.org/wiki/ligands ligands]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1N4G OCA].
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1N4G is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Mycobacterium_tuberculosis Mycobacterium tuberculosis]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1N4G OCA].
==Reference==
==Reference==
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Atomic structure of Mycobacterium tuberculosis CYP121 to 1.06 A reveals novel features of cytochrome P450., Leys D, Mowat CG, McLean KJ, Richmond A, Chapman SK, Walkinshaw MD, Munro AW, J Biol Chem. 2003 Feb 14;278(7):5141-7. Epub 2002 Nov 14. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=12435731 12435731]
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Atomic structure of Mycobacterium tuberculosis CYP121 to 1.06 A reveals novel features of cytochrome P450., Leys D, Mowat CG, McLean KJ, Richmond A, Chapman SK, Walkinshaw MD, Munro AW, J Biol Chem. 2003 Feb 14;278(7):5141-7. Epub 2002 Nov 14. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/12435731 12435731]
[[Category: Mycobacterium tuberculosis]]
[[Category: Mycobacterium tuberculosis]]
[[Category: Single protein]]
[[Category: Single protein]]
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[[Category: protein structure initiative]]
[[Category: protein structure initiative]]
[[Category: psi]]
[[Category: psi]]
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[[Category: structural genomics]]
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[[Category: structural genomic]]
[[Category: tb structural genomics consortium]]
[[Category: tb structural genomics consortium]]
[[Category: tbsgc]]
[[Category: tbsgc]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 14:02:07 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 12:52:04 2008''

Revision as of 10:52, 20 March 2008

Image:1n4g.gif


PDB ID 1n4g

Drag the structure with the mouse to rotate
, resolution 1.80Å
Ligands: and
Gene: CYP121 OR RV2276 OR MT2336 OR MTCY339.34C (Mycobacterium tuberculosis)
Coordinates: save as pdb, mmCIF, xml



Structure of CYP121, a Mycobacterial P450, in Complex with Iodopyrazole


Overview

The first structure of a P450 to an atomic resolution of 1.06 A has been solved for CYP121 from Mycobacterium tuberculosis. A comparison with P450 EryF (CYP107A1) reveals a remarkable overall similarity in fold with major differences residing in active site structural elements. The high resolution obtained allows visualization of several unusual aspects. The heme cofactor is bound in two distinct conformations while being notably kinked in one pyrrole group due to close interaction with the proline residue (Pro(346)) immediately following the heme iron-ligating cysteine (Cys(345)). The active site is remarkably rigid in comparison with the remainder of the structure, notwithstanding the large cavity volume of 1350 A(3). The region immediately surrounding the distal water ligand is remarkable in several aspects. Unlike other bacterial P450s, the I helix shows no deformation, similar to mammalian CYP2C5. In addition, the positively charged Arg(386) is located immediately above the heme plane, dominating the local structure. Putative proton relay pathways from protein surface to heme (converging at Ser(279)) are identified. Most interestingly, the electron density indicates weak binding of a dioxygen molecule to the P450. This structure provides a basis for rational design of putative antimycobacterial agents.

About this Structure

1N4G is a Single protein structure of sequence from Mycobacterium tuberculosis. Full crystallographic information is available from OCA.

Reference

Atomic structure of Mycobacterium tuberculosis CYP121 to 1.06 A reveals novel features of cytochrome P450., Leys D, Mowat CG, McLean KJ, Richmond A, Chapman SK, Walkinshaw MD, Munro AW, J Biol Chem. 2003 Feb 14;278(7):5141-7. Epub 2002 Nov 14. PMID:12435731

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