Iron in PDB 1j7a: Structure of the Anabaena Ferredoxin D68K Mutant

The structure of Structure of the Anabaena Ferredoxin D68K Mutant, PDB code: 1j7a was solved by 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.Tollen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 1.80
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	38.300, 38.300, 136.200, 90.00, 90.00, 120.00
R / Rfree (%)	17.4 / n/a

The binding sites of Iron atom in the Structure of the Anabaena Ferredoxin D68K Mutant (pdb code 1j7a). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Structure of the Anabaena Ferredoxin D68K Mutant, PDB code: 1j7a:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Structure of the Anabaena Ferredoxin D68K Mutant


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Structure of the Anabaena Ferredoxin D68K Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe100 b:19.9 occ:1.00 FE1 A:FES100 0.0 19.9 1.0 S1 A:FES100 2.2 17.8 1.0 S2 A:FES100 2.2 18.2 1.0 SG A:CYS46 2.3 20.1 1.0 SG A:CYS41 2.3 18.8 1.0 FE2 A:FES100 2.7 19.3 1.0 O A:HOH249 2.8 80.6 1.0 CB A:CYS46 3.3 18.5 1.0 CB A:CYS41 3.5 21.8 1.0 N A:CYS46 3.5 21.7 1.0 N A:CYS41 3.7 19.6 1.0 N A:ARG42 3.8 25.8 1.0 CA A:CYS46 3.8 21.0 1.0 CA A:CYS41 3.9 14.6 1.0 C A:CYS46 4.0 21.5 1.0 O A:CYS46 4.0 18.2 1.0 C A:CYS41 4.3 30.8 1.0 N A:ALA45 4.3 20.8 1.0 SG A:CYS79 4.3 18.1 1.0 N A:GLY44 4.4 21.2 1.0 C A:ALA45 4.4 29.1 1.0 N A:ALA43 4.4 14.3 1.0 SG A:CYS49 4.5 17.4 1.0 N A:SER47 4.6 14.8 1.0 CA A:ARG42 4.7 19.3 1.0 N A:SER40 4.7 14.6 1.0 N A:THR48 4.7 18.6 1.0 C A:SER40 4.8 25.6 1.0 CA A:ALA45 4.9 24.8 1.0 CA A:GLY44 4.9 21.7 1.0 C A:GLY44 5.0 32.1 1.0 N A:CYS49 5.0 15.1 1.0 CB A:THR48 5.0 17.1 1.0

Iron binding site 2 out of 2 in the Structure of the Anabaena Ferredoxin D68K Mutant


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Structure of the Anabaena Ferredoxin D68K Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe100 b:19.3 occ:1.00 FE2 A:FES100 0.0 19.3 1.0 S1 A:FES100 2.2 17.8 1.0 S2 A:FES100 2.2 18.2 1.0 SG A:CYS79 2.3 18.1 1.0 SG A:CYS49 2.3 17.4 1.0 FE1 A:FES100 2.7 19.9 1.0 CB A:CYS79 3.2 13.5 1.0 O A:HOH249 3.2 80.6 1.0 CB A:CYS49 3.4 11.0 1.0 N A:GLY44 4.2 21.2 1.0 N A:CYS79 4.2 18.6 1.0 CA A:CYS79 4.3 17.6 1.0 N A:CYS49 4.3 15.1 1.0 SG A:CYS41 4.3 18.8 1.0 N A:ARG42 4.4 25.8 1.0 CA A:CYS49 4.4 16.5 1.0 CB A:LEU77 4.5 19.7 1.0 CA A:ARG42 4.5 19.3 1.0 SG A:CYS46 4.6 20.1 1.0 CA A:GLY44 4.6 21.7 1.0 N A:ALA43 4.7 14.3 1.0 O A:CYS46 4.9 18.2 1.0 C A:ARG42 4.9 20.6 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