Iron in PDB 1qog: Ferredoxin Mutation S47A

The structure of Ferredoxin Mutation S47A, PDB code: 1qog was solved by H.M.Holden, M.M.Benning, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25.00 / 1.80
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	37.730, 38.230, 148.160, 90.00, 90.00, 90.00
R / Rfree (%)	18.2 / n/a

The binding sites of Iron atom in the Ferredoxin Mutation S47A (pdb code 1qog). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Ferredoxin Mutation S47A, PDB code: 1qog:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Ferredoxin Mutation S47A


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Ferredoxin Mutation S47A within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe100 b:21.7 occ:1.00 FE1 A:FES100 0.0 21.7 1.0 S1 A:FES100 2.2 18.7 1.0 S2 A:FES100 2.2 20.9 1.0 SG A:CYS41 2.2 21.0 1.0 SG A:CYS46 2.3 22.6 1.0 FE2 A:FES100 2.7 21.8 1.0 CB A:CYS46 3.2 17.6 1.0 CB A:CYS41 3.5 14.8 1.0 N A:CYS46 3.5 21.3 1.0 N A:CYS41 3.6 18.8 1.0 CA A:CYS46 3.6 19.6 1.0 N A:ARG42 3.7 18.5 1.0 CA A:CYS41 3.9 20.9 1.0 C A:CYS46 4.0 17.6 1.0 C A:CYS41 4.2 32.8 1.0 O A:CYS46 4.2 21.5 1.0 N A:ALA43 4.2 23.3 1.0 N A:ALA45 4.3 22.6 1.0 N A:GLY44 4.3 22.2 1.0 SG A:CYS79 4.4 19.1 1.0 C A:ALA45 4.4 30.4 1.0 CA A:ARG42 4.5 22.9 1.0 SG A:CYS49 4.6 20.2 1.0 C A:SER40 4.6 25.4 1.0 N A:ALA47 4.7 22.6 1.0 N A:SER40 4.7 18.2 1.0 N A:THR48 4.8 19.7 1.0 CB A:SER40 4.8 25.1 1.0 CA A:GLY44 4.9 24.6 1.0 C A:ARG42 4.9 21.7 1.0 CA A:ALA45 5.0 22.5 1.0 N A:CYS49 5.0 18.6 1.0

Iron binding site 2 out of 4 in the Ferredoxin Mutation S47A


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Ferredoxin Mutation S47A within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe100 b:21.8 occ:1.00 FE2 A:FES100 0.0 21.8 1.0 S1 A:FES100 2.1 18.7 1.0 S2 A:FES100 2.2 20.9 1.0 SG A:CYS79 2.3 19.1 1.0 SG A:CYS49 2.4 20.2 1.0 FE1 A:FES100 2.7 21.7 1.0 CB A:CYS79 3.2 13.4 1.0 CB A:CYS49 3.3 17.0 1.0 N A:GLY44 4.2 22.2 1.0 N A:CYS49 4.3 18.6 1.0 N A:CYS79 4.3 22.8 1.0 SG A:CYS41 4.3 21.0 1.0 CA A:CYS79 4.3 23.1 1.0 N A:ARG42 4.3 18.5 1.0 CA A:ARG42 4.4 22.9 1.0 CA A:CYS49 4.4 19.2 1.0 N A:ALA43 4.5 23.3 1.0 SG A:CYS46 4.5 22.6 1.0 CB A:LEU77 4.5 32.0 1.0 CA A:GLY44 4.6 24.6 1.0 C A:ARG42 4.8 21.7 1.0 O A:CYS46 4.9 21.5 1.0

Iron binding site 3 out of 4 in the Ferredoxin Mutation S47A


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Ferredoxin Mutation S47A within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe100 b:24.8 occ:1.00 FE1 B:FES100 0.0 24.8 1.0 S1 B:FES100 2.2 21.6 1.0 S2 B:FES100 2.2 21.8 1.0 SG B:CYS46 2.2 25.2 1.0 SG B:CYS41 2.2 22.0 1.0 FE2 B:FES100 2.7 23.1 1.0 CB B:CYS46 3.3 25.0 1.0 CB B:CYS41 3.4 28.8 1.0 N B:CYS46 3.6 21.6 1.0 N B:CYS41 3.6 23.3 1.0 CA B:CYS46 3.8 19.1 1.0 N B:ARG42 3.8 19.4 1.0 CA B:CYS41 3.9 28.2 1.0 C B:CYS46 4.1 20.8 1.0 O B:CYS46 4.2 23.0 1.0 N B:ALA45 4.2 24.4 1.0 C B:CYS41 4.3 21.9 1.0 SG B:CYS79 4.3 21.7 1.0 N B:GLY44 4.3 22.5 1.0 C B:ALA45 4.4 24.4 1.0 N B:ALA43 4.4 24.4 1.0 SG B:CYS49 4.5 21.0 1.0 N B:SER40 4.6 27.1 1.0 C B:SER40 4.7 39.9 1.0 CA B:ARG42 4.7 22.6 1.0 N B:ALA47 4.8 15.6 1.0 N B:THR48 4.8 24.6 1.0 CA B:GLY44 4.8 29.1 1.0 CA B:ALA45 4.9 22.4 1.0 C B:GLY44 4.9 25.5 1.0 N B:CYS49 4.9 18.4 1.0 CA B:SER40 4.9 21.7 1.0 CB B:THR48 5.0 25.6 1.0

Iron binding site 4 out of 4 in the Ferredoxin Mutation S47A


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Ferredoxin Mutation S47A within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe100 b:23.1 occ:1.00 FE2 B:FES100 0.0 23.1 1.0 S2 B:FES100 2.2 21.8 1.0 SG B:CYS49 2.2 21.0 1.0 S1 B:FES100 2.2 21.6 1.0 SG B:CYS79 2.2 21.7 1.0 FE1 B:FES100 2.7 24.8 1.0 CB B:CYS79 3.2 19.2 1.0 CB B:CYS49 3.3 11.4 1.0 N B:CYS49 4.1 18.4 1.0 N B:CYS79 4.2 17.7 1.0 N B:GLY44 4.2 22.5 1.0 CA B:CYS79 4.3 18.8 1.0 SG B:CYS41 4.3 22.0 1.0 CA B:CYS49 4.4 15.4 1.0 N B:ARG42 4.4 19.4 1.0 SG B:CYS46 4.5 25.2 1.0 CA B:ARG42 4.5 22.6 1.0 CA B:GLY44 4.6 29.1 1.0 CB B:LEU77 4.6 19.1 1.0 N B:ALA43 4.7 24.4 1.0 C B:ARG42 4.9 34.0 1.0 O B:CYS46 4.9 23.0 1.0

J.K.Hurley, A.M.Weber-Main, M.T.Stankovich, M.M.Benning, J.B.Thoden, J.L.Vanhooke, H.M.Holden, Y.K.Chae, B.Xia, H.Cheng, J.L.Markley, M.Martinez-Julvez, C.Gomez-Moreno, J.L.Schmeits, G.Tollin. Structure-Function Relationships in Anabaena Ferredoxin: Correlations Between X-Ray Crystal Structures, Reduction Potentials, and Rate Constants of Electron Transfer to Ferredoxin:Nadp+ Reductase For Site-Specific Ferredoxin Mutants. Biochemistry V. 36 11100 1997.
ISSN: ISSN 0006-2960
PubMed: 9287153
DOI: 10.1021/BI9709001