Iron in PDB 1gao: Crystal Structure of the L44S Mutant of Ferredoxin I

The structure of Crystal Structure of the L44S Mutant of Ferredoxin I, PDB code: 1gao was solved by C.D.Stout, B.K.Burgess, G.S.Prasad, V.Sridhar, Y.S.Jung, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 2.20
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	130.800, 85.600, 67.200, 90.00, 117.90, 90.00
R / Rfree (%)	24.3 / 28.6

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 28;

Binding sites:

The binding sites of Iron atom in the Crystal Structure of the L44S Mutant of Ferredoxin I (pdb code 1gao). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 28 binding sites of Iron where determined in the Crystal Structure of the L44S Mutant of Ferredoxin I, PDB code: 1gao:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iron binding site 1 out of 28 in the Crystal Structure of the L44S 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 the L44S Mutant of Ferredoxin I within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe107 b:39.4 occ:1.00 FE1 A:SF4107 0.0 39.4 1.0 S4 A:SF4107 2.3 38.8 1.0 SG A:CYS39 2.3 47.4 1.0 S2 A:SF4107 2.3 38.6 1.0 S3 A:SF4107 2.3 39.4 1.0 FE3 A:SF4107 2.7 40.0 1.0 FE2 A:SF4107 2.7 40.5 1.0 FE4 A:SF4107 2.8 35.3 1.0 CB A:CYS39 3.4 46.9 1.0 CA A:CYS39 3.8 46.8 1.0 S1 A:SF4107 3.9 38.8 1.0 SG A:CYS24 3.9 39.1 1.0 N A:ILE40 4.1 49.6 1.0 CB A:PHE2 4.2 40.2 1.0 N A:ASP41 4.2 49.0 1.0 CG2 A:ILE34 4.4 39.9 1.0 C A:CYS39 4.4 49.6 1.0 CG A:PHE2 4.7 43.7 1.0 N A:CYS42 4.7 45.0 1.0 CA A:ASP41 4.7 46.3 1.0 SG A:CYS45 4.7 42.4 1.0 CD1 A:PHE2 4.7 45.1 1.0 SG A:CYS42 4.9 42.0 1.0 SG A:CYS20 4.9 34.6 1.0 C A:ILE40 5.0 49.5 1.0

Iron binding site 2 out of 28 in the Crystal Structure of the L44S 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 the L44S Mutant of Ferredoxin I within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe107 b:40.5 occ:1.00 FE2 A:SF4107 0.0 40.5 1.0 SG A:CYS42 2.3 42.0 1.0 S1 A:SF4107 2.3 38.8 1.0 S3 A:SF4107 2.3 39.4 1.0 S4 A:SF4107 2.3 38.8 1.0 FE3 A:SF4107 2.7 40.0 1.0 FE1 A:SF4107 2.7 39.4 1.0 FE4 A:SF4107 2.7 35.3 1.0 CB A:CYS42 3.6 43.2 1.0 N A:ALA43 3.7 47.4 1.0 N A:CYS42 3.8 45.0 1.0 CD A:PRO21 3.8 42.6 1.0 S2 A:SF4107 3.9 38.6 1.0 CA A:CYS42 4.0 45.2 1.0 N A:SER44 4.1 43.7 1.0 C A:CYS42 4.2 46.5 1.0 CG A:PRO21 4.2 40.6 1.0 CA A:ALA43 4.5 46.6 1.0 CB A:SER44 4.6 44.2 1.0 SG A:CYS45 4.7 42.4 1.0 SG A:CYS20 4.7 34.6 1.0 C A:ALA43 4.7 44.5 1.0 N A:CYS45 4.7 46.3 1.0 SG A:CYS39 4.8 47.4 1.0 CA A:CYS20 4.8 42.1 1.0 C A:ASP41 4.8 46.2 1.0 CA A:SER44 4.9 45.0 1.0 CG1 A:ILE40 5.0 44.1 1.0 OG A:SER44 5.0 47.0 1.0

Iron binding site 3 out of 28 in the Crystal Structure of the L44S 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 the L44S Mutant of Ferredoxin I within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe107 b:40.0 occ:1.00 FE3 A:SF4107 0.0 40.0 1.0 S4 A:SF4107 2.3 38.8 1.0 S1 A:SF4107 2.3 38.8 1.0 SG A:CYS45 2.3 42.4 1.0 S2 A:SF4107 2.3 38.6 1.0 FE2 A:SF4107 2.7 40.5 1.0 FE1 A:SF4107 2.7 39.4 1.0 FE4 A:SF4107 2.7 35.3 1.0 CB A:CYS45 3.1 45.4 1.0 S3 A:SF4107 3.9 39.4 1.0 N A:CYS45 3.9 46.3 1.0 CA A:CYS45 4.1 45.6 1.0 CE1 A:PHE25 4.4 24.9 1.0 CB A:PHE2 4.5 40.2 1.0 CD1 A:ILE34 4.5 34.9 1.0 CZ A:PHE25 4.6 30.4 1.0 N A:SER44 4.6 43.7 1.0 SG A:CYS42 4.7 42.0 1.0 SG A:CYS39 4.7 47.4 1.0 CA A:ALA43 4.7 46.6 1.0 N A:ALA43 4.7 47.4 1.0 CG A:PHE2 4.8 43.7 1.0 SG A:CYS20 4.8 34.6 1.0 C A:ALA43 4.9 44.5 1.0 CB A:CYS20 5.0 38.1 1.0

Iron binding site 4 out of 28 in the Crystal Structure of the L44S 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 the L44S Mutant of Ferredoxin I within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe107 b:35.3 occ:1.00 FE4 A:SF4107 0.0 35.3 1.0 S2 A:SF4107 2.3 38.6 1.0 S1 A:SF4107 2.3 38.8 1.0 S3 A:SF4107 2.3 39.4 1.0 SG A:CYS20 2.3 34.6 1.0 FE3 A:SF4107 2.7 40.0 1.0 FE2 A:SF4107 2.7 40.5 1.0 FE1 A:SF4107 2.8 39.4 1.0 CB A:CYS20 3.1 38.1 1.0 SG A:CYS24 3.3 39.1 1.0 CA A:CYS20 3.7 42.1 1.0 S4 A:SF4107 3.9 38.8 1.0 CD A:PRO21 4.0 42.6 1.0 CE1 A:PHE25 4.3 24.9 1.0 CG2 A:VAL22 4.4 33.5 1.0 C A:CYS20 4.5 44.2 1.0 N A:PRO21 4.5 45.4 1.0 SG A:CYS42 4.7 42.0 1.0 CD1 A:PHE25 4.8 27.2 1.0 N A:CYS20 4.8 43.4 1.0 CG A:PRO21 4.9 40.6 1.0 SG A:CYS45 4.9 42.4 1.0 SG A:CYS39 4.9 47.4 1.0 CB A:CYS24 5.0 37.0 1.0 CB A:CYS45 5.0 45.4 1.0

Iron binding site 5 out of 28 in the Crystal Structure of the L44S 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 the L44S Mutant of Ferredoxin I within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe108 b:30.5 occ:1.00 FE1 A:F3S108 0.0 30.5 1.0 S2 A:F3S108 2.2 32.8 1.0 S1 A:F3S108 2.2 31.1 1.0 SG A:CYS16 2.3 37.5 1.0 S3 A:F3S108 2.3 30.8 1.0 FE3 A:F3S108 2.7 33.2 1.0 FE4 A:F3S108 2.7 33.0 1.0 CB A:CYS16 3.2 42.6 1.0 N A:THR14 3.7 36.5 1.0 CA A:THR14 3.8 36.5 1.0 S4 A:F3S108 3.8 34.6 1.0 N A:CYS16 4.0 46.1 1.0 CD2 A:LEU32 4.2 25.6 1.0 N A:ASP15 4.2 39.1 1.0 CA A:CYS16 4.3 45.2 1.0 C A:THR14 4.3 39.3 1.0 CD1 A:ILE54 4.6 25.0 1.0 N A:TYR13 4.7 34.2 1.0 CB A:LEU32 4.8 27.8 1.0 SG A:CYS8 4.8 33.6 1.0 C A:TYR13 4.8 35.0 1.0 SG A:CYS49 4.8 36.8 1.0

Iron binding site 6 out of 28 in the Crystal Structure of the L44S 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 the L44S Mutant of Ferredoxin I within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe108 b:33.2 occ:1.00 FE3 A:F3S108 0.0 33.2 1.0 S1 A:F3S108 2.3 31.1 1.0 S4 A:F3S108 2.3 34.6 1.0 SG A:CYS8 2.3 33.6 1.0 S3 A:F3S108 2.3 30.8 1.0 FE4 A:F3S108 2.7 33.0 1.0 FE1 A:F3S108 2.7 30.5 1.0 CB A:CYS8 3.1 29.3 1.0 S2 A:F3S108 3.9 32.8 1.0 CA A:CYS8 3.9 33.0 1.0 CA A:LYS12 4.0 33.4 1.0 CG1 A:VAL4 4.2 26.9 1.0 N A:TYR13 4.2 34.2 1.0 N A:LYS12 4.4 32.1 1.0 CB A:LEU32 4.5 27.8 1.0 O A:CYS8 4.6 34.4 1.0 C A:LYS12 4.6 35.8 1.0 SG A:CYS49 4.7 36.8 1.0 C A:CYS8 4.7 33.8 1.0 N A:THR14 4.8 36.5 1.0 SG A:CYS16 4.8 37.5 1.0

Iron binding site 7 out of 28 in the Crystal Structure of the L44S 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 the L44S Mutant of Ferredoxin I within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe108 b:33.0 occ:1.00 FE4 A:F3S108 0.0 33.0 1.0 SG A:CYS49 2.3 36.8 1.0 S3 A:F3S108 2.3 30.8 1.0 S4 A:F3S108 2.3 34.6 1.0 S2 A:F3S108 2.3 32.8 1.0 FE3 A:F3S108 2.7 33.2 1.0 FE1 A:F3S108 2.7 30.5 1.0 CB A:CYS49 3.2 34.2 1.0 CA A:CYS49 3.7 36.8 1.0 S1 A:F3S108 3.9 31.1 1.0 CB A:ALA51 4.1 35.9 1.0 C A:CYS49 4.4 36.3 1.0 CD A:PRO50 4.4 33.8 1.0 N A:ALA51 4.5 37.6 1.0 CD1 A:ILE54 4.7 25.0 1.0 N A:PRO50 4.7 34.7 1.0 CB A:TYR13 4.7 33.4 1.0 CD2 A:TYR13 4.7 36.1 1.0 SG A:CYS8 4.7 33.6 1.0 CB A:CYS8 4.8 29.3 1.0 SG A:CYS16 4.8 37.5 1.0 CG1 A:ILE54 4.9 27.3 1.0 CB A:CYS16 4.9 42.6 1.0 CA A:ALA51 4.9 36.2 1.0 N A:TYR13 4.9 34.2 1.0 CB A:ALA53 4.9 28.4 1.0 N A:CYS49 5.0 41.2 1.0

Iron binding site 8 out of 28 in the Crystal Structure of the L44S Mutant of Ferredoxin I


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of Crystal Structure of the L44S Mutant of Ferredoxin I within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe307 b:30.1 occ:1.00 FE1 B:SF4307 0.0 30.1 1.0 S3 B:SF4307 2.3 31.4 1.0 S4 B:SF4307 2.3 33.2 1.0 S2 B:SF4307 2.3 31.4 1.0 SG B:CYS239 2.3 29.9 1.0 FE4 B:SF4307 2.7 35.9 1.0 FE2 B:SF4307 2.7 35.4 1.0 FE3 B:SF4307 2.7 30.4 1.0 CB B:CYS239 3.5 31.9 1.0 CA B:CYS239 3.8 38.6 1.0 S1 B:SF4307 3.9 31.7 1.0 N B:ILE240 3.9 32.9 1.0 SG B:CYS224 3.9 33.0 1.0 N B:ASP241 4.0 37.6 1.0 C B:CYS239 4.2 36.3 1.0 CB B:PHE202 4.4 33.3 1.0 CA B:ASP241 4.5 38.1 1.0 CG2 B:ILE234 4.6 22.3 1.0 N B:CYS242 4.6 40.5 1.0 CG B:PHE202 4.8 35.5 1.0 CD1 B:PHE202 4.8 35.9 1.0 SG B:CYS245 4.8 36.9 1.0 C B:ILE240 4.9 38.2 1.0 SG B:CYS242 4.9 37.1 1.0 CA B:ILE240 4.9 36.8 1.0 SG B:CYS220 4.9 34.1 1.0 N B:PHE202 4.9 36.1 1.0

Iron binding site 9 out of 28 in the Crystal Structure of the L44S Mutant of Ferredoxin I


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 9 of Crystal Structure of the L44S Mutant of Ferredoxin I within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe307 b:35.4 occ:1.00 FE2 B:SF4307 0.0 35.4 1.0 S4 B:SF4307 2.3 33.2 1.0 S3 B:SF4307 2.3 31.4 1.0 SG B:CYS242 2.3 37.1 1.0 S1 B:SF4307 2.3 31.7 1.0 FE3 B:SF4307 2.7 30.4 1.0 FE4 B:SF4307 2.7 35.9 1.0 FE1 B:SF4307 2.7 30.1 1.0 N B:CYS242 3.6 40.5 1.0 CB B:CYS242 3.7 42.6 1.0 N B:ALA243 3.8 47.2 1.0 S2 B:SF4307 3.9 31.4 1.0 CA B:CYS242 4.0 44.5 1.0 C B:CYS242 4.1 46.5 1.0 N B:SER244 4.4 47.3 1.0 CD B:PRO221 4.4 41.0 1.0 CG1 B:ILE240 4.5 38.2 1.0 C B:ASP241 4.6 39.5 1.0 OG B:SER244 4.6 50.3 1.0 N B:ASP241 4.6 37.6 1.0 CA B:ALA243 4.6 46.4 1.0 SG B:CYS220 4.6 34.1 1.0 SG B:CYS245 4.8 36.9 1.0 CG B:PRO221 4.8 41.6 1.0 SG B:CYS239 4.8 29.9 1.0 O B:CYS242 4.9 45.2 1.0 N B:CYS245 4.9 48.1 1.0 CA B:ASP241 4.9 38.1 1.0 C B:ALA243 5.0 46.8 1.0

Iron binding site 10 out of 28 in the Crystal Structure of the L44S Mutant of Ferredoxin I


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 10 of Crystal Structure of the L44S Mutant of Ferredoxin I within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe307 b:30.4 occ:1.00 FE3 B:SF4307 0.0 30.4 1.0 S1 B:SF4307 2.2 31.7 1.0 S4 B:SF4307 2.3 33.2 1.0 SG B:CYS245 2.3 36.9 1.0 S2 B:SF4307 2.3 31.4 1.0 FE2 B:SF4307 2.7 35.4 1.0 FE4 B:SF4307 2.7 35.9 1.0 FE1 B:SF4307 2.7 30.1 1.0 CB B:CYS245 3.1 38.6 1.0 S3 B:SF4307 3.9 31.4 1.0 N B:CYS245 3.9 48.1 1.0 CA B:CYS245 4.2 47.5 1.0 CE1 B:PHE225 4.3 37.4 1.0 CZ B:PHE225 4.3 39.8 1.0 CB B:PHE202 4.6 33.3 1.0 N B:SER244 4.7 47.3 1.0 CD1 B:ILE234 4.7 22.3 1.0 SG B:CYS220 4.7 34.1 1.0 SG B:CYS242 4.7 37.1 1.0 SG B:CYS239 4.8 29.9 1.0 CG B:PHE202 4.8 35.5 1.0 N B:ALA243 4.9 47.2 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