Iron in PDB 1vm9: The X-Ray Structure of the CYS84ALA CYS85ALA Double Mutant of the [2FE-2S] Ferredoxin Subunit of Toluene-4-Monooxygenase From Pseudomonas Mendocina KR1

The structure of The X-Ray Structure of the CYS84ALA CYS85ALA Double Mutant of the [2FE-2S] Ferredoxin Subunit of Toluene-4-Monooxygenase From Pseudomonas Mendocina KR1, PDB code: 1vm9 was solved by G.E.Wesenberg, D.W.Smith, G.N.Phillips Jr., C.A.Bingman, S.T.M.Allard, L.A.Moe, B.G.Fox, Center For Eukaryotic Structural Genomics (Cesg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	33.93 / 1.48
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	44.510, 52.400, 83.556, 90.00, 90.00, 90.00
R / Rfree (%)	15.5 / 17.6

The structure of The X-Ray Structure of the CYS84ALA CYS85ALA Double Mutant of the [2FE-2S] Ferredoxin Subunit of Toluene-4-Monooxygenase From Pseudomonas Mendocina KR1 also contains other interesting chemical elements:

Magnesium

(Mg)

2 atoms

The binding sites of Iron atom in the The X-Ray Structure of the CYS84ALA CYS85ALA Double Mutant of the [2FE-2S] Ferredoxin Subunit of Toluene-4-Monooxygenase From Pseudomonas Mendocina KR1 (pdb code 1vm9). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the The X-Ray Structure of the CYS84ALA CYS85ALA Double Mutant of the [2FE-2S] Ferredoxin Subunit of Toluene-4-Monooxygenase From Pseudomonas Mendocina KR1, PDB code: 1vm9:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the The X-Ray Structure of the CYS84ALA CYS85ALA Double Mutant of the [2FE-2S] Ferredoxin Subunit of Toluene-4-Monooxygenase From Pseudomonas Mendocina KR1


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of The X-Ray Structure of the CYS84ALA CYS85ALA Double Mutant of the [2FE-2S] Ferredoxin Subunit of Toluene-4-Monooxygenase From Pseudomonas Mendocina KR1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe900 b:15.5 occ:1.00 FE1 A:FES900 0.0 15.5 1.0 S2 A:FES900 2.2 16.0 1.0 S1 A:FES900 2.2 17.3 1.0 SG A:CYS45 2.3 13.6 1.0 SG A:CYS64 2.3 15.5 1.0 FE2 A:FES900 2.7 18.1 1.0 CB A:CYS64 3.1 13.6 1.0 CB A:CYS45 3.1 12.4 1.0 CB A:HIS47 4.0 14.6 1.0 ND1 A:HIS47 4.4 21.6 1.0 N A:HIS67 4.4 17.5 1.0 CB A:ALA66 4.5 17.2 1.0 ND1 A:HIS67 4.5 15.4 1.0 CA A:CYS64 4.6 13.3 1.0 CA A:CYS45 4.6 12.4 1.0 CG A:HIS47 4.7 16.3 1.0 N A:GLN48 4.7 16.4 1.0 N A:ALA66 4.9 16.2 1.0 CB A:ILE50 4.9 15.4 1.0 O A:GLN48 4.9 17.2 1.0 N A:HIS47 4.9 14.9 1.0 CA A:HIS47 5.0 15.4 1.0 C A:CYS64 5.0 17.0 1.0

Iron binding site 2 out of 2 in the The X-Ray Structure of the CYS84ALA CYS85ALA Double Mutant of the [2FE-2S] Ferredoxin Subunit of Toluene-4-Monooxygenase From Pseudomonas Mendocina KR1


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of The X-Ray Structure of the CYS84ALA CYS85ALA Double Mutant of the [2FE-2S] Ferredoxin Subunit of Toluene-4-Monooxygenase From Pseudomonas Mendocina KR1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe900 b:18.1 occ:1.00 FE2 A:FES900 0.0 18.1 1.0 ND1 A:HIS67 2.1 15.4 1.0 ND1 A:HIS47 2.1 21.6 1.0 S1 A:FES900 2.2 17.3 1.0 S2 A:FES900 2.2 16.0 1.0 FE1 A:FES900 2.7 15.5 1.0 CE1 A:HIS67 3.0 19.5 1.0 CG A:HIS47 3.1 16.3 1.0 CE1 A:HIS47 3.1 20.0 1.0 CG A:HIS67 3.1 18.3 1.0 CB A:HIS47 3.4 14.6 1.0 CB A:HIS67 3.5 15.1 1.0 N A:HIS67 3.8 17.5 1.0 NE2 A:HIS67 4.1 21.5 1.0 CA A:HIS67 4.1 15.2 1.0 CB A:ALA66 4.2 17.2 1.0 CD2 A:HIS67 4.2 21.9 1.0 NE2 A:HIS47 4.2 21.0 1.0 CD2 A:HIS47 4.2 20.0 1.0 SG A:CYS45 4.3 13.6 1.0 N A:GLN48 4.4 16.4 1.0 SG A:CYS64 4.5 15.5 1.0 C A:ALA66 4.6 20.3 1.0 CA A:HIS47 4.6 15.4 1.0 NE1 A:TRP69 4.7 14.1 1.0 CD1 A:TRP69 4.7 13.5 1.0 C A:HIS47 4.8 16.0 1.0 C A:HIS67 4.8 16.3 1.0 CG A:GLN48 4.9 21.7 1.0 CA A:ALA66 4.9 17.1 1.0 CB A:GLN48 4.9 21.1 1.0 CE2 A:TRP69 5.0 14.8 1.0 OE1 A:GLN48 5.0 28.9 1.0

L.A.Moe, C.A.Bingman, G.E.Wesenberg, G.N.Phillips, B.G.Fox. Structure of T4MOC, the Rieske-Type Ferredoxin Component of Toluene 4-Monooxygenase. Acta Crystallogr.,Sect.D V. 62 476 2006.
ISSN: ISSN 0907-4449
PubMed: 16627939
DOI: 10.1107/S0907444906006056