Iron in PDB 1pc5: Crystal Structure of the P50G Mutant of Ferredoxin I at 1.8 A Resolution

The structure of Crystal Structure of the P50G Mutant of Ferredoxin I at 1.8 A Resolution, PDB code: 1pc5 was solved by R.Camba, Y.S.Jung, K.Chen, L.M.Hunsicker-Wang, B.K.Burgess, C.D.Stout, J.Hirst, F.A.Armstrong, 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 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	55.166, 55.166, 91.862, 90.00, 90.00, 90.00
R / Rfree (%)	18.3 / 25.3

The binding sites of Iron atom in the Crystal Structure of the P50G Mutant of Ferredoxin I at 1.8 A Resolution (pdb code 1pc5). 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 the P50G Mutant of Ferredoxin I at 1.8 A Resolution, PDB code: 1pc5:
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 the P50G Mutant of Ferredoxin I at 1.8 A Resolution


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 the P50G Mutant of Ferredoxin I at 1.8 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe107 b:21.0 occ:1.00 FE1 A:SF4107 0.0 21.0 1.0 S2 A:SF4107 2.2 20.8 1.0 S3 A:SF4107 2.3 21.9 1.0 S4 A:SF4107 2.3 22.0 1.0 SG A:CYS39 2.3 23.1 1.0 FE4 A:SF4107 2.7 23.3 1.0 FE3 A:SF4107 2.7 20.7 1.0 FE2 A:SF4107 2.7 20.7 1.0 CB A:CYS39 3.4 25.4 1.0 S1 A:SF4107 3.8 22.6 1.0 CA A:CYS39 3.8 21.1 1.0 N A:ILE40 3.9 21.6 1.0 SG A:CYS24 4.0 24.2 1.0 N A:ASP41 4.1 23.4 1.0 C A:CYS39 4.2 29.1 1.0 CB A:PHE2 4.6 16.7 1.0 CA A:ASP41 4.6 23.9 1.0 N A:CYS42 4.7 20.1 1.0 CG2 A:ILE34 4.7 18.7 1.0 SG A:CYS45 4.7 22.4 1.0 N A:PHE2 4.8 19.6 1.0 SG A:CYS20 4.9 25.1 1.0 SG A:CYS42 4.9 24.4 1.0 CD1 A:PHE2 4.9 26.1 1.0

Iron binding site 2 out of 7 in the Crystal Structure of the P50G Mutant of Ferredoxin I at 1.8 A Resolution


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 the P50G Mutant of Ferredoxin I at 1.8 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe107 b:20.7 occ:1.00 FE2 A:SF4107 0.0 20.7 1.0 SG A:CYS42 2.3 24.4 1.0 S4 A:SF4107 2.3 22.0 1.0 S3 A:SF4107 2.3 21.9 1.0 S1 A:SF4107 2.3 22.6 1.0 FE4 A:SF4107 2.7 23.3 1.0 FE1 A:SF4107 2.7 21.0 1.0 FE3 A:SF4107 2.7 20.7 1.0 N A:CYS42 3.5 20.1 1.0 CB A:CYS42 3.6 29.2 1.0 N A:ALA43 3.8 20.9 1.0 S2 A:SF4107 3.9 20.8 1.0 CA A:CYS42 3.9 20.2 1.0 CD A:PRO21 4.1 24.1 1.0 C A:CYS42 4.2 23.7 1.0 N A:LEU44 4.2 22.5 1.0 C A:ASP41 4.6 26.0 1.0 SG A:CYS45 4.6 22.4 1.0 N A:ASP41 4.6 23.4 1.0 CA A:ALA43 4.7 17.4 1.0 SG A:CYS20 4.7 25.1 1.0 SG A:CYS39 4.7 23.1 1.0 CG1 A:ILE40 4.8 19.2 1.0 N A:CYS45 4.8 22.7 1.0 CG A:PRO21 4.8 25.0 1.0 C A:ALA43 4.9 21.0 1.0 CA A:ASP41 4.9 23.9 1.0 N A:ILE40 5.0 21.6 1.0

Iron binding site 3 out of 7 in the Crystal Structure of the P50G Mutant of Ferredoxin I at 1.8 A Resolution


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 the P50G Mutant of Ferredoxin I at 1.8 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe107 b:20.7 occ:1.00 FE3 A:SF4107 0.0 20.7 1.0 S4 A:SF4107 2.2 22.0 1.0 SG A:CYS45 2.2 22.4 1.0 S1 A:SF4107 2.2 22.6 1.0 S2 A:SF4107 2.3 20.8 1.0 FE1 A:SF4107 2.7 21.0 1.0 FE2 A:SF4107 2.7 20.7 1.0 FE4 A:SF4107 2.7 23.3 1.0 CB A:CYS45 3.3 21.2 1.0 S3 A:SF4107 3.9 21.9 1.0 N A:CYS45 4.0 22.7 1.0 CA A:CYS45 4.3 24.8 1.0 CE1 A:PHE25 4.3 29.0 1.0 CZ A:PHE25 4.3 20.8 1.0 CB A:PHE2 4.5 16.7 1.0 CD1 A:ILE34 4.6 13.3 1.0 SG A:CYS42 4.6 24.4 1.0 SG A:CYS39 4.7 23.1 1.0 N A:LEU44 4.8 22.5 1.0 CG A:PHE2 4.8 20.3 1.0 SG A:CYS20 4.9 25.1 1.0 N A:ALA43 4.9 20.9 1.0

Iron binding site 4 out of 7 in the Crystal Structure of the P50G Mutant of Ferredoxin I at 1.8 A Resolution


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 the P50G Mutant of Ferredoxin I at 1.8 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe107 b:23.3 occ:1.00 FE4 A:SF4107 0.0 23.3 1.0 S1 A:SF4107 2.2 22.6 1.0 S3 A:SF4107 2.2 21.9 1.0 SG A:CYS20 2.3 25.1 1.0 S2 A:SF4107 2.4 20.8 1.0 FE1 A:SF4107 2.7 21.0 1.0 FE2 A:SF4107 2.7 20.7 1.0 FE3 A:SF4107 2.7 20.7 1.0 CB A:CYS20 3.4 24.3 1.0 SG A:CYS24 3.5 24.2 1.0 S4 A:SF4107 3.8 22.0 1.0 CA A:CYS20 3.9 20.7 1.0 CE1 A:PHE25 4.1 29.0 1.0 CD A:PRO21 4.2 24.1 1.0 CG2 A:VAL22 4.3 26.5 1.0 SG A:CYS42 4.6 24.4 1.0 C A:CYS20 4.6 27.0 1.0 N A:PRO21 4.7 20.6 1.0 SG A:CYS45 4.7 22.4 1.0 CD1 A:PHE25 4.7 24.7 1.0 SG A:CYS39 4.9 23.1 1.0 CZ A:PHE25 4.9 20.8 1.0

Iron binding site 5 out of 7 in the Crystal Structure of the P50G Mutant of Ferredoxin I at 1.8 A Resolution


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 the P50G Mutant of Ferredoxin I at 1.8 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe108 b:20.7 occ:1.00 FE1 A:F3S108 0.0 20.7 1.0 SG A:CYS16 2.2 24.4 1.0 S1 A:F3S108 2.2 22.1 1.0 S2 A:F3S108 2.2 22.2 1.0 S3 A:F3S108 2.3 20.4 1.0 FE3 A:F3S108 2.7 20.0 1.0 FE4 A:F3S108 2.8 20.0 1.0 CB A:CYS16 3.2 27.6 1.0 S4 A:F3S108 3.8 21.0 1.0 N A:CYS16 3.9 26.6 1.0 N A:THR14 4.0 20.1 1.0 CA A:THR14 4.1 27.4 1.0 CA A:CYS16 4.2 25.1 1.0 C A:THR14 4.5 22.3 1.0 N A:ASP15 4.5 20.8 1.0 CD2 A:LEU32 4.5 33.9 1.0 SG A:CYS49 4.6 24.2 1.0 CD1 A:ILE54 4.6 17.6 1.0 SG A:CYS8 4.8 20.6 1.0 CB A:CYS49 4.9 17.2 1.0 N A:TYR13 5.0 20.3 1.0 CB A:LEU32 5.0 23.7 1.0

Iron binding site 6 out of 7 in the Crystal Structure of the P50G Mutant of Ferredoxin I at 1.8 A Resolution


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 the P50G Mutant of Ferredoxin I at 1.8 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe108 b:20.0 occ:1.00 FE3 A:F3S108 0.0 20.0 1.0 S4 A:F3S108 2.2 21.0 1.0 SG A:CYS49 2.2 24.2 1.0 S3 A:F3S108 2.3 20.4 1.0 S1 A:F3S108 2.3 22.1 1.0 FE4 A:F3S108 2.7 20.0 1.0 FE1 A:F3S108 2.7 20.7 1.0 CB A:CYS49 3.2 17.2 1.0 S2 A:F3S108 3.8 22.2 1.0 CA A:CYS49 3.9 17.8 1.0 C A:CYS49 4.5 17.0 1.0 CD2 A:TYR13 4.6 20.7 1.0 CB A:ALA53 4.6 16.5 1.0 SG A:CYS16 4.6 24.4 1.0 SG A:CYS8 4.7 20.6 1.0 N A:ALA51 4.8 25.5 1.0 N A:GLY50 4.8 21.1 1.0 CB A:ALA51 4.8 20.3 1.0 CB A:CYS8 4.8 20.5 1.0 CB A:TYR13 4.8 20.1 1.0 N A:TYR13 4.9 20.3 1.0 CB A:CYS16 4.9 27.6 1.0 CD1 A:ILE54 4.9 17.6 1.0 CG1 A:ILE54 5.0 18.4 1.0

Iron binding site 7 out of 7 in the Crystal Structure of the P50G Mutant of Ferredoxin I at 1.8 A Resolution


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 the P50G Mutant of Ferredoxin I at 1.8 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe108 b:20.0 occ:1.00 FE4 A:F3S108 0.0 20.0 1.0 S4 A:F3S108 2.2 21.0 1.0 SG A:CYS8 2.2 20.6 1.0 S3 A:F3S108 2.2 20.4 1.0 S2 A:F3S108 2.3 22.2 1.0 FE3 A:F3S108 2.7 20.0 1.0 FE1 A:F3S108 2.8 20.7 1.0 CB A:CYS8 3.1 20.5 1.0 CA A:CYS8 3.9 15.0 1.0 S1 A:F3S108 3.9 22.1 1.0 CA A:LYS12 4.0 27.6 1.0 CG1 A:VAL4 4.3 17.5 1.0 N A:TYR13 4.3 20.3 1.0 N A:LYS12 4.4 21.2 1.0 O A:CYS8 4.5 20.7 1.0 SG A:CYS49 4.6 24.2 1.0 C A:LYS12 4.6 26.6 1.0 C A:CYS8 4.6 26.0 1.0 CB A:LEU32 4.7 23.7 1.0 SG A:CYS16 4.7 24.4 1.0 N A:THR14 5.0 20.1 1.0 N A:LEU32 5.0 18.4 1.0

R.Camba, Y.S.Jung, L.M.Hunsicker-Wang, B.K.Burgess, C.D.Stout, J.Hirst, F.A.Armstrong. Mechanisms of Redox-Coupled Proton Transfer in Proteins: Role of the Proximal Proline in Reactions of the [3FE-4S] Cluster in Azotobacter Vinelandii Ferredoxin I Biochemistry V. 42 10589 2003.
ISSN: ISSN 0006-2960
PubMed: 12962482
DOI: 10.1021/BI035021V