1J9G

Low Temperature (100K) Crystal Structure of Flavodoxin D. vulgaris S64C Mutant, monomer oxidised, at 2.4 Angstrom Resolution

Summary for 1J9G

• Entry DOI: 10.2210/pdb1j9g/pdb
• Related: 1j8q 1j9e
• Descriptor: Flavodoxin, FLAVIN MONONUCLEOTIDE (3 entities in total)
• Functional Keywords: alpha-helices, beta-sheet, electron transport
• Biological source: Desulfovibrio vulgaris
• Total number of polymer chains: 1
• Total formula weight: 16150.52

Authors

Artali, R.,Bombieri, G.,Meneghetti, F.,Gilardi, G.,Sadeghi, S.J.,Cavazzini, D.,Rossi, G.L. (deposition date: 2001-05-25, release date: 2001-09-05, Last modification date: 2024-02-07)

Primary citation

Artali, R.,Bombieri, G.,Meneghetti, F.,Gilardi, G.,Sadeghi, S.J.,Cavazzini, D.,Rossi, G.L.
Comparison of the refined crystal structures of wild-type (1.34 A) flavodoxin from Desulfovibrio vulgaris and the S35C mutant (1.44 A) at 100 K.
Acta Crystallogr.,Sect.D, 58:1787-1792, 2002

PubMed Abstract: Engineered flavodoxins in which a surface residue has been replaced by an exposed cysteine are useful modules to link multi-domain redox proteins obtained by gene fusion to electrode surfaces. In the present work, the crystal structure of the S35C mutant of Desulfovibrio vulgaris flavodoxin in the oxidized state has been determined and compared with a refined structure of the wild type (wt). The structure of wt flavodoxin (space group P4(3)2(1)2, unit-cell parameters a = 50.52, b = 50.52, c = 138.59 A) at 1.34 A resolution has been refined to R = 0.16 and R(free) = 0.18. The structure of the S35C mutant (space group P4(3)2(1)2, unit-cell parameters a = 50.55, b = 50.55, c = 138.39 A) at 1.44 A resolution has been refined to R = 0.13 and R(free) = 0.16. Data sets were collected with synchrotron radiation at 100 K. In the S35C mutant, the Cys35 thiol group points towards a hydrophobic region, whilst in the wt the Ser35 hydroxyl group points towards a more polar region. The solvent exposure of Cys35 is 43 A(2), of which 8 A(2) is for the sulfur. This is comparable to the exposure of 48 A(2) found for the wt Ser35, where that of the hydroxyl oxygen is also 8 A(2).

PubMed: 12351822
DOI: 10.1107/S0907444902012234

Experimental method

X-RAY DIFFRACTION (2.4 Å)