Iron in PDB 1qob: Ferredoxin Mutation D62K

The structure of Ferredoxin Mutation D62K, PDB code: 1qob 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 (%)	17.8 / n/a

The binding sites of Iron atom in the Ferredoxin Mutation D62K (pdb code 1qob). 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 D62K, PDB code: 1qob:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Ferredoxin Mutation D62K


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Ferredoxin Mutation D62K within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe100 b:19.3 occ:1.00 FE1 A:FES100 0.0 19.3 1.0 S1 A:FES100 2.2 19.5 1.0 S2 A:FES100 2.2 21.3 1.0 SG A:CYS46 2.3 20.7 1.0 SG A:CYS41 2.3 21.0 1.0 FE2 A:FES100 2.7 19.2 1.0 CB A:CYS46 3.3 22.4 1.0 N A:CYS46 3.5 17.8 1.0 CB A:CYS41 3.5 18.9 1.0 N A:CYS41 3.6 14.9 1.0 N A:ARG42 3.7 19.8 1.0 CA A:CYS46 3.7 16.1 1.0 CA A:CYS41 3.9 17.1 1.0 C A:CYS46 4.0 26.5 1.0 O A:CYS46 4.1 20.6 1.0 N A:ALA45 4.2 24.5 1.0 C A:CYS41 4.2 37.9 1.0 SG A:CYS79 4.3 19.5 1.0 N A:ALA43 4.3 14.2 1.0 N A:GLY44 4.3 17.6 1.0 C A:ALA45 4.4 30.9 1.0 SG A:CYS49 4.5 18.3 1.0 CA A:ARG42 4.6 17.2 1.0 N A:SER40 4.6 21.1 1.0 N A:SER47 4.6 16.4 1.0 C A:SER40 4.7 11.0 1.0 N A:THR48 4.7 15.8 1.0 CA A:GLY44 4.8 14.3 1.0 CA A:ALA45 4.9 23.2 1.0 CB A:SER40 4.9 24.8 1.0 C A:GLY44 4.9 22.1 1.0 N A:CYS49 5.0 17.4 1.0

Iron binding site 2 out of 4 in the Ferredoxin Mutation D62K


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Ferredoxin Mutation D62K within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe100 b:19.2 occ:1.00 FE2 A:FES100 0.0 19.2 1.0 S1 A:FES100 2.2 19.5 1.0 S2 A:FES100 2.2 21.3 1.0 SG A:CYS79 2.3 19.5 1.0 SG A:CYS49 2.3 18.3 1.0 FE1 A:FES100 2.7 19.3 1.0 CB A:CYS79 3.2 17.6 1.0 CB A:CYS49 3.2 13.2 1.0 N A:CYS79 4.2 18.6 1.0 N A:CYS49 4.2 17.4 1.0 N A:GLY44 4.3 17.6 1.0 CA A:CYS79 4.3 13.7 1.0 N A:ARG42 4.3 19.8 1.0 CA A:CYS49 4.4 20.5 1.0 SG A:CYS41 4.4 21.0 1.0 CA A:ARG42 4.5 17.2 1.0 SG A:CYS46 4.5 20.7 1.0 CB A:LEU77 4.6 22.8 1.0 N A:ALA43 4.6 14.2 1.0 CA A:GLY44 4.6 14.3 1.0 C A:ARG42 4.9 16.7 1.0 O A:CYS46 4.9 20.6 1.0

Iron binding site 3 out of 4 in the Ferredoxin Mutation D62K


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Ferredoxin Mutation D62K within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe100 b:21.5 occ:1.00 FE1 B:FES100 0.0 21.5 1.0 SG B:CYS46 2.1 20.5 1.0 S2 B:FES100 2.2 19.2 1.0 S1 B:FES100 2.2 18.1 1.0 SG B:CYS41 2.2 20.2 1.0 FE2 B:FES100 2.7 20.0 1.0 CB B:CYS46 3.3 18.4 1.0 CB B:CYS41 3.4 26.0 1.0 N B:CYS46 3.5 25.7 1.0 N B:CYS41 3.6 22.2 1.0 CA B:CYS46 3.7 21.3 1.0 N B:ARG42 3.7 15.9 1.0 CA B:CYS41 3.9 22.0 1.0 C B:CYS46 4.0 18.9 1.0 O B:CYS46 4.1 20.7 1.0 C B:CYS41 4.2 21.8 1.0 N B:ALA45 4.2 16.4 1.0 SG B:CYS79 4.3 19.2 1.0 N B:GLY44 4.4 17.6 1.0 C B:ALA45 4.4 23.4 1.0 N B:ALA43 4.4 21.3 1.0 SG B:CYS49 4.5 21.7 1.0 N B:SER40 4.6 20.7 1.0 CA B:ARG42 4.7 17.1 1.0 C B:SER40 4.7 29.1 1.0 N B:SER47 4.7 16.0 1.0 N B:THR48 4.8 20.8 1.0 CA B:GLY44 4.8 21.2 1.0 C B:GLY44 4.8 21.9 1.0 CA B:ALA45 4.9 12.7 1.0 N B:CYS49 4.9 18.0 1.0 CB B:SER40 4.9 18.9 1.0 CA B:SER40 5.0 15.9 1.0

Iron binding site 4 out of 4 in the Ferredoxin Mutation D62K


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Ferredoxin Mutation D62K within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe100 b:20.0 occ:1.00 FE2 B:FES100 0.0 20.0 1.0 S2 B:FES100 2.1 19.2 1.0 S1 B:FES100 2.2 18.1 1.0 SG B:CYS49 2.2 21.7 1.0 SG B:CYS79 2.2 19.2 1.0 FE1 B:FES100 2.7 21.5 1.0 CB B:CYS79 3.2 14.7 1.0 CB B:CYS49 3.4 17.9 1.0 N B:CYS79 4.2 16.7 1.0 N B:CYS49 4.2 18.0 1.0 CA B:CYS79 4.2 20.0 1.0 N B:GLY44 4.2 17.6 1.0 SG B:CYS41 4.3 20.2 1.0 N B:ARG42 4.3 15.9 1.0 CA B:CYS49 4.4 14.4 1.0 CB B:LEU77 4.5 14.9 1.0 SG B:CYS46 4.5 20.5 1.0 CA B:ARG42 4.5 17.1 1.0 CA B:GLY44 4.5 21.2 1.0 N B:ALA43 4.7 21.3 1.0 O B:CYS46 4.9 20.7 1.0 C B:ARG42 4.9 28.1 1.0 CA B:LEU77 5.0 16.9 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