Iron in PDB 8qto: Crystal Structure of Holo-L28H-Fnr of A. Fischeri

The structure of Crystal Structure of Holo-L28H-Fnr of A. Fischeri, PDB code: 8qto was solved by A.Volbeda, J.C.Fontecilla-Camps, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.77 / 2.40
Space group	I 4 2 2
Cell size a, b, c (Å), α, β, γ (°)	75.2, 75.2, 217.47, 90, 90, 90
R / Rfree (%)	19.8 / 22.7

The binding sites of Iron atom in the Crystal Structure of Holo-L28H-Fnr of A. Fischeri (pdb code 8qto). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Crystal Structure of Holo-L28H-Fnr of A. Fischeri, PDB code: 8qto:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Crystal Structure of Holo-L28H-Fnr of A. Fischeri


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structure of Holo-L28H-Fnr of A. Fischeri within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe301 b:91.4 occ:1.00 FE1 A:SF4301 0.0 91.4 1.0 S4 A:SF4301 2.3 93.7 1.0 S3 A:SF4301 2.3 98.1 1.0 S2 A:SF4301 2.3 85.3 1.0 SG A:CYS20 2.3 103.0 1.0 FE2 A:SF4301 2.7 88.9 1.0 FE3 A:SF4301 2.7 85.7 1.0 FE4 A:SF4301 2.7 99.3 1.0 CB A:CYS20 3.2 101.3 1.0 CA A:CYS20 3.6 102.5 1.0 NH1 A:ARG48 3.8 94.1 1.0 S1 A:SF4301 3.9 88.1 1.0 N A:CYS20 4.2 107.6 1.0 CG A:PRO31 4.4 107.3 1.0 CD A:PRO31 4.5 101.3 1.0 SG A:CYS23 4.6 92.3 1.0 CD1 A:ILE46 4.7 92.6 1.0 SG A:CYS122 4.7 83.4 1.0 CB A:CYS23 4.7 120.5 1.0 SG A:CYS29 4.8 79.7 1.0 C A:CYS20 4.9 115.4 1.0 C A:HIS19 4.9 118.6 1.0

Iron binding site 2 out of 4 in the Crystal Structure of Holo-L28H-Fnr of A. Fischeri


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystal Structure of Holo-L28H-Fnr of A. Fischeri within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe301 b:88.9 occ:1.00 FE2 A:SF4301 0.0 88.9 1.0 S4 A:SF4301 2.3 93.7 1.0 S3 A:SF4301 2.3 98.1 1.0 S1 A:SF4301 2.3 88.1 1.0 SG A:CYS23 2.3 92.3 1.0 FE4 A:SF4301 2.7 99.3 1.0 FE1 A:SF4301 2.7 91.4 1.0 FE3 A:SF4301 2.7 85.7 1.0 CB A:CYS23 3.3 120.5 1.0 CD A:ARG72 3.8 103.5 1.0 S2 A:SF4301 3.9 85.3 1.0 CG1 A:ILE25 4.0 99.0 1.0 CD1 A:ILE25 4.3 88.6 1.0 NE A:ARG72 4.4 122.5 1.0 CA A:CYS23 4.7 115.3 1.0 SG A:CYS122 4.8 83.4 1.0 CA A:CYS20 4.8 102.5 1.0 SG A:CYS29 4.8 79.7 1.0 SG A:CYS20 4.9 103.0 1.0 CB A:CYS29 5.0 82.0 1.0

Iron binding site 3 out of 4 in the Crystal Structure of Holo-L28H-Fnr of A. Fischeri


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Crystal Structure of Holo-L28H-Fnr of A. Fischeri within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe301 b:85.7 occ:1.00 FE3 A:SF4301 0.0 85.7 1.0 S4 A:SF4301 2.3 93.7 1.0 S1 A:SF4301 2.3 88.1 1.0 S2 A:SF4301 2.3 85.3 1.0 SG A:CYS29 2.3 79.7 1.0 FE4 A:SF4301 2.7 99.3 1.0 FE2 A:SF4301 2.7 88.9 1.0 FE1 A:SF4301 2.7 91.4 1.0 CB A:CYS29 3.2 82.0 1.0 S3 A:SF4301 3.9 98.1 1.0 CB A:ALA70 4.1 71.0 1.0 CD A:PRO31 4.4 101.3 1.0 CA A:CYS29 4.6 80.8 1.0 N A:ILE30 4.6 93.6 1.0 SG A:CYS23 4.7 92.3 1.0 CG1 A:ILE25 4.8 99.0 1.0 SG A:CYS122 4.8 83.4 1.0 CG2 A:ILE30 4.9 90.2 1.0 SG A:CYS20 4.9 103.0 1.0 CD1 A:ILE25 4.9 88.6 1.0

Iron binding site 4 out of 4 in the Crystal Structure of Holo-L28H-Fnr of A. Fischeri


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Crystal Structure of Holo-L28H-Fnr of A. Fischeri within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe301 b:99.3 occ:1.00 FE4 A:SF4301 0.0 99.3 1.0 SG A:CYS122 2.3 83.4 1.0 S1 A:SF4301 2.3 88.1 1.0 S3 A:SF4301 2.3 98.1 1.0 S2 A:SF4301 2.3 85.3 1.0 FE2 A:SF4301 2.7 88.9 1.0 FE3 A:SF4301 2.7 85.7 1.0 FE1 A:SF4301 2.7 91.4 1.0 CB A:CYS122 3.3 81.0 1.0 NH1 A:ARG48 3.8 94.1 1.0 S4 A:SF4301 3.9 93.7 1.0 CD A:ARG72 4.4 103.5 1.0 SG A:CYS20 4.6 103.0 1.0 NE A:ARG48 4.6 113.8 1.0 CB A:ALA70 4.6 71.0 1.0 CB A:ARG72 4.6 85.9 1.0 CZ A:ARG48 4.7 110.0 1.0 CA A:CYS122 4.7 80.9 1.0 SG A:CYS29 4.9 79.7 1.0 SG A:CYS23 4.9 92.3 1.0 CG2 A:ILE18 5.0 108.4 1.0 CA A:ARG72 5.0 90.4 1.0

J.C.Crack, P.Amara, E.De Rosny, C.Darnault, M.R.Stapleton, J.Green, A.Volbeda, J.C.Fontecilla-Camps, N.E.Le Brun. Probing the Reactivity of [4FE-4S] Fumarate and Nitrate Reduction (Fnr) Regulator with O2 and No: Increased O2 Resistance and Relative Specificity For No of the [4FE-4S] L28H Fnr Cluster Inorganics (Basel) V. 11 2023.
ISSN: ESSN 2304-6740
DOI: 10.3390/INORGANICS11120450