Iron in PDB 1g6b: Crystal Structure of P47S Mutant of Ferredoxin I

The structure of Crystal Structure of P47S Mutant of Ferredoxin I, PDB code: 1g6b was solved by C.D.Stout, B.K.Burgess, C.A.Bonagura, Y.S.Jung, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	24.00 / 1.90
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	54.970, 54.970, 92.110, 90.00, 90.00, 90.00
R / Rfree (%)	24 / 26.6

The binding sites of Iron atom in the Crystal Structure of P47S Mutant of Ferredoxin I (pdb code 1g6b). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 7 binding sites of Iron where determined in the Crystal Structure of P47S Mutant of Ferredoxin I, PDB code: 1g6b:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7;

Iron binding site 1 out of 7 in the Crystal Structure of P47S Mutant of Ferredoxin I


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 P47S Mutant of Ferredoxin I within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe107 b:15.9 occ:1.00 FE1 A:SF4107 0.0 15.9 1.0 S2 A:SF4107 2.3 15.9 1.0 SG A:CYS39 2.3 15.1 1.0 S3 A:SF4107 2.3 15.6 1.0 S4 A:SF4107 2.4 15.7 1.0 FE4 A:SF4107 2.7 16.6 1.0 FE3 A:SF4107 2.7 16.1 1.0 FE2 A:SF4107 2.8 15.9 1.0 CB A:CYS39 3.4 14.5 1.0 CA A:CYS39 3.8 15.4 1.0 S1 A:SF4107 3.9 15.4 1.0 SG A:CYS24 4.0 14.3 1.0 N A:ASP41 4.0 13.6 1.0 N A:ILE40 4.1 14.6 1.0 C A:CYS39 4.3 15.3 1.0 CB A:PHE2 4.5 12.5 1.0 CA A:ASP41 4.5 13.4 1.0 CG2 A:ILE34 4.6 12.5 1.0 N A:CYS42 4.6 12.9 1.0 CD1 A:PHE2 4.7 11.7 1.0 N A:PHE2 4.8 12.7 1.0 CG A:PHE2 4.9 12.1 1.0 SG A:CYS45 4.9 15.2 1.0 SG A:CYS20 4.9 16.2 1.0 SG A:CYS42 4.9 14.5 1.0 C A:ILE40 5.0 13.6 1.0

Iron binding site 2 out of 7 in the Crystal Structure of P47S Mutant of Ferredoxin I


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 P47S Mutant of Ferredoxin I within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe107 b:15.9 occ:1.00 FE2 A:SF4107 0.0 15.9 1.0 S3 A:SF4107 2.3 15.6 1.0 SG A:CYS42 2.3 14.5 1.0 S1 A:SF4107 2.3 15.4 1.0 S4 A:SF4107 2.3 15.7 1.0 FE3 A:SF4107 2.8 16.1 1.0 FE1 A:SF4107 2.8 15.9 1.0 FE4 A:SF4107 2.8 16.6 1.0 N A:CYS42 3.5 12.9 1.0 CB A:CYS42 3.6 12.8 1.0 N A:ALA43 3.7 13.7 1.0 S2 A:SF4107 3.9 15.9 1.0 CA A:CYS42 3.9 13.2 1.0 C A:CYS42 4.1 13.5 1.0 N A:LEU44 4.1 14.4 1.0 CD A:PRO21 4.2 16.3 1.0 CA A:ALA43 4.6 14.0 1.0 C A:ASP41 4.6 13.5 1.0 N A:ASP41 4.7 13.6 1.0 C A:ALA43 4.8 14.5 1.0 N A:CYS45 4.8 15.0 1.0 SG A:CYS45 4.8 15.2 1.0 SG A:CYS20 4.8 16.2 1.0 SG A:CYS39 4.8 15.1 1.0 CB A:LEU44 4.8 14.9 1.0 CG A:PRO21 4.8 15.6 1.0 CA A:ASP41 4.9 13.4 1.0 CG1 A:ILE40 4.9 13.6 1.0

Iron binding site 3 out of 7 in the Crystal Structure of P47S Mutant of Ferredoxin I


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 P47S Mutant of Ferredoxin I within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe107 b:16.1 occ:1.00 FE3 A:SF4107 0.0 16.1 1.0 S2 A:SF4107 2.3 15.9 1.0 S4 A:SF4107 2.3 15.7 1.0 S1 A:SF4107 2.3 15.4 1.0 SG A:CYS45 2.3 15.2 1.0 FE1 A:SF4107 2.7 15.9 1.0 FE4 A:SF4107 2.7 16.6 1.0 FE2 A:SF4107 2.8 15.9 1.0 CB A:CYS45 3.3 14.2 1.0 S3 A:SF4107 3.9 15.6 1.0 N A:CYS45 4.0 15.0 1.0 CA A:CYS45 4.2 15.4 1.0 CZ A:PHE25 4.4 15.0 1.0 CE1 A:PHE25 4.5 15.4 1.0 CB A:PHE2 4.5 12.5 1.0 CD1 A:ILE34 4.5 11.8 1.0 CG A:PHE2 4.7 12.1 1.0 SG A:CYS42 4.7 14.5 1.0 SG A:CYS39 4.8 15.1 1.0 N A:LEU44 4.8 14.4 1.0 SG A:CYS20 4.9 16.2 1.0 N A:ALA43 4.9 13.7 1.0

Iron binding site 4 out of 7 in the Crystal Structure of P47S Mutant of Ferredoxin I


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 P47S Mutant of Ferredoxin I within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe107 b:16.6 occ:1.00 FE4 A:SF4107 0.0 16.6 1.0 S2 A:SF4107 2.2 15.9 1.0 S1 A:SF4107 2.3 15.4 1.0 S3 A:SF4107 2.3 15.6 1.0 SG A:CYS20 2.3 16.2 1.0 FE1 A:SF4107 2.7 15.9 1.0 FE3 A:SF4107 2.7 16.1 1.0 FE2 A:SF4107 2.8 15.9 1.0 CB A:CYS20 3.4 16.5 1.0 SG A:CYS24 3.6 14.3 1.0 CA A:CYS20 3.9 17.5 1.0 S4 A:SF4107 3.9 15.7 1.0 CE1 A:PHE25 4.1 15.4 1.0 CD A:PRO21 4.3 16.3 1.0 CG2 A:VAL22 4.6 14.8 1.0 C A:CYS20 4.7 17.4 1.0 SG A:CYS42 4.7 14.5 1.0 CD1 A:PHE25 4.8 15.9 1.0 N A:PRO21 4.8 17.0 1.0 CZ A:PHE25 4.8 15.0 1.0 SG A:CYS45 4.8 15.2 1.0 SG A:CYS39 4.9 15.1 1.0 N A:CYS20 5.0 18.4 1.0

Iron binding site 5 out of 7 in the Crystal Structure of P47S Mutant of Ferredoxin I


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Crystal Structure of P47S Mutant of Ferredoxin I within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe108 b:15.4 occ:1.00 FE1 A:F3S108 0.0 15.4 1.0 S2 A:F3S108 2.2 15.3 1.0 S1 A:F3S108 2.3 15.3 1.0 S3 A:F3S108 2.3 14.7 1.0 SG A:CYS16 2.4 14.2 1.0 FE4 A:F3S108 2.7 15.4 1.0 FE3 A:F3S108 2.7 15.6 1.0 CB A:CYS16 3.2 15.0 1.0 S4 A:F3S108 3.9 14.9 1.0 N A:THR14 4.0 14.5 1.0 CA A:THR14 4.0 15.0 1.0 N A:CYS16 4.1 15.9 1.0 CD2 A:LEU32 4.2 13.1 1.0 CA A:CYS16 4.3 15.8 1.0 C A:THR14 4.5 15.1 1.0 N A:ASP15 4.5 15.8 1.0 CD1 A:ILE54 4.7 15.0 1.0 SG A:CYS49 4.7 16.8 1.0 SG A:CYS8 4.9 13.8 1.0 CB A:LEU32 4.9 12.3 1.0 N A:TYR13 4.9 14.5 1.0 CB A:CYS49 4.9 16.1 1.0

Iron binding site 6 out of 7 in the Crystal Structure of P47S Mutant of Ferredoxin I


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Crystal Structure of P47S Mutant of Ferredoxin I within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe108 b:15.6 occ:1.00 FE3 A:F3S108 0.0 15.6 1.0 S4 A:F3S108 2.3 14.9 1.0 S1 A:F3S108 2.3 15.3 1.0 S3 A:F3S108 2.3 14.7 1.0 SG A:CYS8 2.3 13.8 1.0 FE4 A:F3S108 2.7 15.4 1.0 FE1 A:F3S108 2.7 15.4 1.0 CB A:CYS8 3.2 12.1 1.0 S2 A:F3S108 3.9 15.3 1.0 CA A:CYS8 3.9 12.1 1.0 CA A:LYS12 3.9 14.4 1.0 CG1 A:VAL4 4.3 10.4 1.0 N A:LYS12 4.4 14.8 1.0 N A:TYR13 4.4 14.5 1.0 O A:CYS8 4.5 13.1 1.0 C A:LYS12 4.6 14.2 1.0 CB A:LEU32 4.6 12.3 1.0 C A:CYS8 4.6 12.5 1.0 SG A:CYS49 4.7 16.8 1.0 SG A:CYS16 4.9 14.2 1.0 N A:LEU32 4.9 12.0 1.0 N A:THR14 4.9 14.5 1.0 CB A:LYS12 5.0 14.0 1.0

Iron binding site 7 out of 7 in the Crystal Structure of P47S Mutant of Ferredoxin I


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of Crystal Structure of P47S Mutant of Ferredoxin I within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe108 b:15.4 occ:1.00 FE4 A:F3S108 0.0 15.4 1.0 S2 A:F3S108 2.3 15.3 1.0 S3 A:F3S108 2.3 14.7 1.0 S4 A:F3S108 2.3 14.9 1.0 SG A:CYS49 2.3 16.8 1.0 FE1 A:F3S108 2.7 15.4 1.0 FE3 A:F3S108 2.7 15.6 1.0 CB A:CYS49 3.3 16.1 1.0 CA A:CYS49 3.8 17.0 1.0 S1 A:F3S108 3.9 15.3 1.0 CD A:PRO50 4.4 15.6 1.0 C A:CYS49 4.4 16.4 1.0 CB A:ALA51 4.6 15.3 1.0 N A:PRO50 4.6 15.9 1.0 CD2 A:TYR13 4.7 17.8 1.0 N A:ALA51 4.8 15.8 1.0 CB A:TYR13 4.8 15.5 1.0 SG A:CYS8 4.8 13.8 1.0 SG A:CYS16 4.8 14.2 1.0 CB A:CYS8 4.8 12.1 1.0 CB A:CYS16 4.8 15.0 1.0 CB A:ALA53 4.9 15.3 1.0 N A:TYR13 4.9 14.5 1.0

K.Chen, Y.S.Jung, C.A.Bonagura, G.J.Tilley, G.S.Prasad, V.Sridhar, F.A.Armstrong, C.D.Stout, B.K.Burgess. Azotobacter Vinelandii Ferredoxin I: A Sequence and Structure Comparison Approach to Alteration of [4FE-4S]2+/+ Reduction Potential. J.Biol.Chem. V. 277 5603 2002.
ISSN: ISSN 0021-9258
PubMed: 11704670
DOI: 10.1074/JBC.M108916200