1n40: Difference between revisions

← Older edit Newer edit →

Revision as of 06:57, 26 March 2008

File:1n40.gif

, resolution 1.06Å

Ligands:

, ,

Gene:

CYP121 OR RV2276 OR MT2336 OR MTCY339.34C (Mycobacterium tuberculosis)

Domains:

CypX

Resources:

FirstGlance, OCA, PDBsum, JenaLib, RCSB

Coordinates:

save as pdb, mmCIF, xml

Atomic structure of CYP121, a mycobacterial P450

OverviewOverview

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 StructureAbout this Structure

1N40 is a Single protein structure of sequence from Mycobacterium tuberculosis. Full crystallographic information is available from OCA.

ReferenceReference

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

Page seeded by OCA on Wed Mar 26 05:57:47 2008

Proteopedia Page Contributors and Editors (what is this?)Proteopedia Page Contributors and Editors (what is this?)

OCA

@@ Line 4: / Line 4: @@
 |PDB= 1n40 |SIZE=350|CAPTION= <scene name='initialview01'>1n40</scene>, resolution 1.06&Aring;
 |SITE=
-|LIGAND= <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=HEM:PROTOPORPHYRIN+IX+CONTAINING+FE'>HEM</scene> and <scene name='pdbligand=OXY:OXYGEN MOLECULE'>OXY</scene>
+|LIGAND= <scene name='pdbligand=HEM:PROTOPORPHYRIN+IX+CONTAINING+FE'>HEM</scene>, <scene name='pdbligand=OXY:OXYGEN+MOLECULE'>OXY</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>
 |ACTIVITY=
 |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])
+|DOMAIN=<span class='plainlinks'>[http://www.ncbi.nlm.nih.gov/Structure/cdd/cddsrv.cgi?uid=COG2124 CypX]</span>
+|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1n40 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1n40 OCA], [http://www.ebi.ac.uk/pdbsum/1n40 PDBsum], [http://www.fli-leibniz.de/cgi-bin/ImgLib.pl?CODE=1kfv JenaLib], [http://www.rcsb.org/pdb/explore.do?structureId=1n40 RCSB]</span>
 }}
@@ Line 30: / Line 32: @@
 [[Category: TBSGC, TB Structural Genomics Consortium.]]
 [[Category: Walkinshaw, M D.]]
-[[Category: HEM]]
-[[Category: OXY]]
-[[Category: SO4]]
 [[Category: heme binding]]
 [[Category: oxygen binding]]
@@ Line 42: / Line 41: @@
 [[Category: tbsgc]]
-''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 12:51:49 2008''
+''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Wed Mar 26 05:57:47 2008''