Iron in PDB 1dfx: Desulfoferrodoxin From Desulfovibrio Desulfuricans, Atcc 27774

The structure of Desulfoferrodoxin From Desulfovibrio Desulfuricans, Atcc 27774, PDB code: 1dfx was solved by A.V.Coelho, P.M.Matias, M.A.Carrondo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 1.90
Space group	H 3 2
Cell size a, b, c (Å), α, β, γ (°)	112.500, 112.500, 63.200, 90.00, 90.00, 120.00
R / Rfree (%)	20 / 23

The structure of Desulfoferrodoxin From Desulfovibrio Desulfuricans, Atcc 27774 also contains other interesting chemical elements:

Calcium

(Ca)

1 atom

The binding sites of Iron atom in the Desulfoferrodoxin From Desulfovibrio Desulfuricans, Atcc 27774 (pdb code 1dfx). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Desulfoferrodoxin From Desulfovibrio Desulfuricans, Atcc 27774, PDB code: 1dfx:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Desulfoferrodoxin From Desulfovibrio Desulfuricans, Atcc 27774


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Desulfoferrodoxin From Desulfovibrio Desulfuricans, Atcc 27774 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe131 b:31.8 occ:1.00 SG A:CYS9 2.3 31.8 1.0 SG A:CYS12 2.3 32.3 1.0 SG A:CYS28 2.3 29.3 1.0 SG A:CYS29 2.3 37.6 1.0 CB A:CYS9 3.1 20.3 1.0 CB A:CYS29 3.2 32.0 1.0 CB A:CYS28 3.4 25.7 1.0 CB A:CYS12 3.4 23.0 1.0 N A:CYS29 3.6 31.0 1.0 C A:CYS28 3.6 26.6 1.0 N A:CYS12 3.8 27.1 1.0 CA A:CYS29 4.0 32.7 1.0 O A:CYS28 4.0 25.6 1.0 CA A:CYS28 4.0 25.7 1.0 CA A:CYS12 4.2 23.7 1.0 OD1 A:ASN14 4.5 28.9 1.0 CA A:CYS9 4.6 23.9 1.0 CB A:HIS11 4.7 32.5 1.0 C A:HIS11 4.8 26.6 1.0 C A:CYS12 4.9 25.3 1.0 CB A:ASN14 5.0 24.0 1.0 N A:GLY13 5.0 26.7 1.0 CG A:ASN14 5.0 22.8 1.0

Iron binding site 2 out of 2 in the Desulfoferrodoxin From Desulfovibrio Desulfuricans, Atcc 27774


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Desulfoferrodoxin From Desulfovibrio Desulfuricans, Atcc 27774 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe132 b:39.1 occ:1.00 NE2 A:HIS68 2.1 31.0 1.0 ND1 A:HIS118 2.1 40.8 1.0 NE2 A:HIS48 2.2 36.8 1.0 NE2 A:HIS74 2.2 42.8 1.0 SG A:CYS115 2.3 36.6 1.0 CE1 A:HIS68 2.9 28.7 1.0 CE1 A:HIS118 3.0 38.2 1.0 CE1 A:HIS74 3.1 42.9 1.0 CE1 A:HIS48 3.1 38.0 1.0 CG A:HIS118 3.2 43.3 1.0 CD2 A:HIS68 3.2 28.5 1.0 CD2 A:HIS48 3.2 37.1 1.0 CD2 A:HIS74 3.3 44.2 1.0 CB A:CYS115 3.5 31.3 1.0 CB A:HIS118 3.6 41.3 1.0 ND1 A:HIS68 4.0 30.1 1.0 NE2 A:HIS118 4.1 43.5 1.0 CG A:HIS68 4.2 28.2 1.0 ND1 A:HIS74 4.3 42.0 1.0 CD2 A:HIS118 4.3 45.0 1.0 ND1 A:HIS48 4.3 36.5 1.0 N A:HIS118 4.3 34.0 1.0 CG A:HIS48 4.3 36.6 1.0 CG A:HIS74 4.4 42.0 1.0 CA A:HIS118 4.5 36.9 1.0 CA A:CYS115 4.9 31.3 1.0 CB A:LEU117 5.0 34.2 1.0

A.V.Coelho, P.Matias, V.Fulop, A.Thompson, A.Gonzalez, M.A.Carrondo. Desulfoferrodoxin Structure Determined By Mad Phasing and Refinement to 1.9 Angstroms Resolution Reveals A Unique Combination of A Tetrahedral FES4 Centre with A Square Pyramidal FESN4 Centre J.Biol.Inorg.Chem. V. 2 680 1997.
ISSN: ISSN 0949-8257