1mvn
From Proteopedia
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|PDB= 1mvn |SIZE=350|CAPTION= <scene name='initialview01'>1mvn</scene>, resolution 2.21Å | |PDB= 1mvn |SIZE=350|CAPTION= <scene name='initialview01'>1mvn</scene>, resolution 2.21Å | ||
|SITE= | |SITE= | ||
| - | |LIGAND= <scene name='pdbligand=PCO:2,4-DIHYDROXY-N-[2-(2-MERCAPTO-VINYLCARBAMOYL)-ETHYL]-3,3-DIMETHYL-BUTYRAMIDE'>PCO</scene> | + | |LIGAND= <scene name='pdbligand=FMN:FLAVIN+MONONUCLEOTIDE'>FMN</scene>, <scene name='pdbligand=PCO:2,4-DIHYDROXY-N-[2-(2-MERCAPTO-VINYLCARBAMOYL)-ETHYL]-3,3-DIMETHYL-BUTYRAMIDE'>PCO</scene> |
| - | + | |ACTIVITY= <span class='plainlinks'>[http://en.wikipedia.org/wiki/Phosphopantothenoylcysteine_decarboxylase Phosphopantothenoylcysteine decarboxylase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=4.1.1.36 4.1.1.36] </span> | |
|GENE= | |GENE= | ||
| + | |DOMAIN= | ||
| + | |RELATEDENTRY=[[1e20|1E20]], [[1mvl|1MVL]] | ||
| + | |RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1mvn FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1mvn OCA], [http://www.ebi.ac.uk/pdbsum/1mvn PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=1mvn RCSB]</span> | ||
}} | }} | ||
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[[Category: Kupke, T.]] | [[Category: Kupke, T.]] | ||
[[Category: Steinbacher, S.]] | [[Category: Steinbacher, S.]] | ||
| - | [[Category: FMN]] | ||
| - | [[Category: PCO]] | ||
[[Category: active site mutant c175]] | [[Category: active site mutant c175]] | ||
[[Category: complexed with ene-thiol reaction intermediate]] | [[Category: complexed with ene-thiol reaction intermediate]] | ||
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[[Category: ppc decarboxylase]] | [[Category: ppc decarboxylase]] | ||
| - | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on | + | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun Mar 30 22:21:44 2008'' |
Revision as of 19:21, 30 March 2008
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| , resolution 2.21Å | |||||||
|---|---|---|---|---|---|---|---|
| Ligands: | , | ||||||
| Activity: | Phosphopantothenoylcysteine decarboxylase, with EC number 4.1.1.36 | ||||||
| Related: | 1E20, 1MVL
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| Resources: | FirstGlance, OCA, PDBsum, RCSB | ||||||
| Coordinates: | save as pdb, mmCIF, xml | ||||||
PPC decarboxylase mutant C175S complexed with pantothenoylaminoethenethiol
Overview
The Arabidopsis thaliana protein AtHAL3a decarboxylates 4'-phosphopantothenoylcysteine to 4'-phosphopantetheine, a step in coenzyme A biosynthesis. Surprisingly, this decarboxylation reaction is carried out as an FMN-dependent redox reaction. In the first half-reaction, the side-chain of the cysteine residue of 4'-phosphopantothenoylcysteine is oxidised and the thioaldehyde intermediate decarboxylates spontaneously to the 4'-phosphopantothenoyl-aminoethenethiol intermediate. In the second half-reaction this compound is reduced to 4'-phosphopantetheine and the FMNH(2) cofactor is re-oxidised. The active site mutant C175S is unable to perform this reductive half-reaction. Here, we present the crystal structure of the AtHAL3a mutant C175S in complex with the reaction intermediate pantothenoyl-aminoethenethiol and FMNH(2). The geometry of binding suggests that reduction of the C(alpha)=C(beta) double bond of the intermediate can be performed by direct hydride-transfer from N5 of FMNH(2) to C(beta) of the aminoethenethiol-moiety supported by a protonation of C(alpha) by Cys175. The binding mode of the substrate is very similar to that previously observed for a pentapeptide to the homologous enzyme EpiD that introduces the aminoethenethiol-moiety as final reaction product at the C terminus of peptidyl-cysteine residues. This finding further supports our view that these homologous enzymes form a protein family of homo-oligomeric flavin-containing cysteine decarboxylases, which we have termed HFCD family.
About this Structure
1MVN is a Single protein structure of sequence from Arabidopsis thaliana. Full crystallographic information is available from OCA.
Reference
Crystal structure of the plant PPC decarboxylase AtHAL3a complexed with an ene-thiol reaction intermediate., Steinbacher S, Hernandez-Acosta P, Bieseler B, Blaesse M, Huber R, Culianez-Macia FA, Kupke T, J Mol Biol. 2003 Mar 14;327(1):193-202. PMID:12614618
Page seeded by OCA on Sun Mar 30 22:21:44 2008
Categories: Arabidopsis thaliana | Phosphopantothenoylcysteine decarboxylase | Single protein | Bieseler, B. | Blaesse, M. | Culianez-Macia, F A. | Hernandez-Acosta, P. | Huber, R. | Kupke, T. | Steinbacher, S. | Active site mutant c175 | Complexed with ene-thiol reaction intermediate | Flavoprotein | Ppc decarboxylase
