Iron in PDB 1b0t: D15K/K84D Mutant of Azotobacter Vinelandii Fdi

The structure of D15K/K84D Mutant of Azotobacter Vinelandii Fdi, PDB code: 1b0t was solved by V.Sridhar, C.D.Stout, K.Chen, M.A.Kemper, B.K.Burgess, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	8.00 / 2.10
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	55.630, 55.630, 95.910, 90.00, 90.00, 90.00
R / Rfree (%)	20.9 / n/a

The binding sites of Iron atom in the D15K/K84D Mutant of Azotobacter Vinelandii Fdi (pdb code 1b0t). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 7 binding sites of Iron where determined in the D15K/K84D Mutant of Azotobacter Vinelandii Fdi, PDB code: 1b0t:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7;

Iron binding site 1 out of 7 in the D15K/K84D Mutant of Azotobacter Vinelandii Fdi


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of D15K/K84D Mutant of Azotobacter Vinelandii Fdi within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe107 b:12.3 occ:1.00 FE1 A:SF4107 0.0 12.3 1.0 S2 A:SF4107 2.3 12.9 1.0 SG A:CYS39 2.3 10.6 1.0 S4 A:SF4107 2.3 12.0 1.0 S3 A:SF4107 2.3 13.0 1.0 FE3 A:SF4107 2.7 14.1 1.0 FE4 A:SF4107 2.8 17.0 1.0 FE2 A:SF4107 2.8 14.1 1.0 CB A:CYS39 3.3 5.7 1.0 CA A:CYS39 3.7 7.8 1.0 S1 A:SF4107 3.9 12.3 1.0 N A:ILE40 4.0 10.3 1.0 N A:ASP41 4.0 12.6 1.0 SG A:CYS24 4.1 11.3 1.0 C A:CYS39 4.3 9.2 1.0 CB A:PHE2 4.5 6.6 1.0 CA A:ASP41 4.6 13.4 1.0 CG2 A:ILE34 4.6 2.1 1.0 SG A:CYS45 4.8 10.3 1.0 N A:CYS42 4.8 12.8 1.0 CD1 A:PHE2 4.8 9.4 1.0 SG A:CYS20 4.8 10.6 1.0 N A:PHE2 4.9 8.8 1.0 C A:ILE40 4.9 12.9 1.0 CG A:PHE2 4.9 8.4 1.0 SG A:CYS42 5.0 13.9 1.0

Iron binding site 2 out of 7 in the D15K/K84D Mutant of Azotobacter Vinelandii Fdi


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of D15K/K84D Mutant of Azotobacter Vinelandii Fdi within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe107 b:14.1 occ:1.00 FE2 A:SF4107 0.0 14.1 1.0 S3 A:SF4107 2.3 13.0 1.0 S1 A:SF4107 2.3 12.3 1.0 S4 A:SF4107 2.3 12.0 1.0 SG A:CYS42 2.3 13.9 1.0 FE3 A:SF4107 2.7 14.1 1.0 FE4 A:SF4107 2.7 17.0 1.0 FE1 A:SF4107 2.8 12.3 1.0 CB A:CYS42 3.5 12.2 1.0 N A:CYS42 3.6 12.8 1.0 N A:ALA43 3.8 15.0 1.0 S2 A:SF4107 3.9 12.9 1.0 CA A:CYS42 4.0 12.8 1.0 N A:LEU44 4.2 11.7 1.0 CD A:PRO21 4.2 9.8 1.0 C A:CYS42 4.2 14.2 1.0 CA A:ALA43 4.6 12.7 1.0 C A:ASP41 4.6 13.2 1.0 N A:ASP41 4.7 12.6 1.0 SG A:CYS39 4.7 10.6 1.0 CG1 A:ILE40 4.7 11.9 1.0 SG A:CYS45 4.7 10.3 1.0 SG A:CYS20 4.7 10.6 1.0 CG A:PRO21 4.8 11.1 1.0 CB A:LEU44 4.8 9.0 1.0 C A:ALA43 4.9 13.0 1.0 CA A:ASP41 4.9 13.4 1.0 N A:CYS45 4.9 13.3 1.0

Iron binding site 3 out of 7 in the D15K/K84D Mutant of Azotobacter Vinelandii Fdi


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of D15K/K84D Mutant of Azotobacter Vinelandii Fdi within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe107 b:14.1 occ:1.00 FE3 A:SF4107 0.0 14.1 1.0 S4 A:SF4107 2.3 12.0 1.0 SG A:CYS45 2.3 10.3 1.0 S1 A:SF4107 2.3 12.3 1.0 S2 A:SF4107 2.3 12.9 1.0 FE1 A:SF4107 2.7 12.3 1.0 FE2 A:SF4107 2.7 14.1 1.0 FE4 A:SF4107 2.8 17.0 1.0 CB A:CYS45 3.3 13.3 1.0 S3 A:SF4107 3.9 13.0 1.0 N A:CYS45 4.1 13.3 1.0 CA A:CYS45 4.3 13.5 1.0 CE1 A:PHE25 4.4 8.3 1.0 CB A:PHE2 4.4 6.6 1.0 CZ A:PHE25 4.5 8.8 1.0 CD1 A:ILE34 4.7 2.0 1.0 SG A:CYS42 4.7 13.9 1.0 CG A:PHE2 4.7 8.4 1.0 SG A:CYS39 4.7 10.6 1.0 N A:LEU44 4.8 11.7 1.0 SG A:CYS20 4.9 10.6 1.0 N A:ALA43 4.9 15.0 1.0

Iron binding site 4 out of 7 in the D15K/K84D Mutant of Azotobacter Vinelandii Fdi


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of D15K/K84D Mutant of Azotobacter Vinelandii Fdi within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe107 b:17.0 occ:1.00 FE4 A:SF4107 0.0 17.0 1.0 S3 A:SF4107 2.3 13.0 1.0 S1 A:SF4107 2.3 12.3 1.0 SG A:CYS20 2.3 10.6 1.0 S2 A:SF4107 2.3 12.9 1.0 FE2 A:SF4107 2.7 14.1 1.0 FE1 A:SF4107 2.8 12.3 1.0 FE3 A:SF4107 2.8 14.1 1.0 CB A:CYS20 3.4 10.9 1.0 SG A:CYS24 3.7 11.3 1.0 CA A:CYS20 3.7 11.8 1.0 S4 A:SF4107 3.9 12.0 1.0 CE1 A:PHE25 4.1 8.3 1.0 CD A:PRO21 4.3 9.8 1.0 C A:CYS20 4.5 12.1 1.0 CG2 A:VAL22 4.5 9.2 1.0 N A:PRO21 4.6 11.4 1.0 SG A:CYS42 4.7 13.9 1.0 SG A:CYS45 4.8 10.3 1.0 CD1 A:PHE25 4.8 7.3 1.0 N A:CYS20 4.9 14.2 1.0 SG A:CYS39 4.9 10.6 1.0 CZ A:PHE25 5.0 8.8 1.0

Iron binding site 5 out of 7 in the D15K/K84D Mutant of Azotobacter Vinelandii Fdi


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of D15K/K84D Mutant of Azotobacter Vinelandii Fdi within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe108 b:13.7 occ:1.00 FE1 A:F3S108 0.0 13.7 1.0 S2 A:F3S108 2.3 14.2 1.0 SG A:CYS16 2.3 15.0 1.0 S3 A:F3S108 2.3 13.1 1.0 S1 A:F3S108 2.3 10.8 1.0 FE4 A:F3S108 2.7 12.5 1.0 FE3 A:F3S108 2.8 13.8 1.0 CB A:CYS16 3.3 14.5 1.0 S4 A:F3S108 3.9 13.6 1.0 N A:CYS16 4.0 15.2 1.0 N A:THR14 4.1 12.1 1.0 CA A:THR14 4.1 13.1 1.0 CA A:CYS16 4.3 13.7 1.0 CD2 A:LEU32 4.4 8.0 1.0 C A:THR14 4.5 13.3 1.0 N A:LYS15 4.6 16.2 1.0 CD1 A:ILE54 4.6 9.8 1.0 SG A:CYS49 4.8 13.1 1.0 CE2 A:PHE25 4.8 6.8 1.0 SG A:CYS8 4.8 11.1 1.0 CB A:LEU32 4.9 8.7 1.0

Iron binding site 6 out of 7 in the D15K/K84D Mutant of Azotobacter Vinelandii Fdi


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of D15K/K84D Mutant of Azotobacter Vinelandii Fdi within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe108 b:13.8 occ:1.00 FE3 A:F3S108 0.0 13.8 1.0 SG A:CYS8 2.3 11.1 1.0 S4 A:F3S108 2.3 13.6 1.0 S1 A:F3S108 2.3 10.8 1.0 S3 A:F3S108 2.3 13.1 1.0 FE4 A:F3S108 2.7 12.5 1.0 FE1 A:F3S108 2.8 13.7 1.0 CB A:CYS8 3.2 8.3 1.0 S2 A:F3S108 3.9 14.2 1.0 CA A:CYS8 3.9 9.8 1.0 CA A:LYS12 4.1 10.3 1.0 N A:TYR13 4.4 11.0 1.0 N A:LYS12 4.4 9.3 1.0 CG1 A:VAL4 4.4 2.0 1.0 CB A:LEU32 4.6 8.7 1.0 O A:CYS8 4.6 9.0 1.0 C A:CYS8 4.7 10.0 1.0 SG A:CYS49 4.7 13.1 1.0 C A:LYS12 4.7 12.1 1.0 SG A:CYS16 4.9 15.0 1.0 N A:THR14 5.0 12.1 1.0

Iron binding site 7 out of 7 in the D15K/K84D Mutant of Azotobacter Vinelandii Fdi


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of D15K/K84D Mutant of Azotobacter Vinelandii Fdi within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe108 b:12.5 occ:1.00 FE4 A:F3S108 0.0 12.5 1.0 SG A:CYS49 2.3 13.1 1.0 S4 A:F3S108 2.3 13.6 1.0 S2 A:F3S108 2.3 14.2 1.0 S3 A:F3S108 2.3 13.1 1.0 FE3 A:F3S108 2.7 13.8 1.0 FE1 A:F3S108 2.7 13.7 1.0 CB A:CYS49 3.3 10.4 1.0 CA A:CYS49 3.7 11.9 1.0 S1 A:F3S108 3.9 10.8 1.0 CD A:PRO50 4.3 8.7 1.0 C A:CYS49 4.4 11.1 1.0 N A:PRO50 4.6 10.4 1.0 CB A:ALA51 4.6 6.9 1.0 N A:ALA51 4.7 12.1 1.0 CD2 A:TYR13 4.7 11.0 1.0 CB A:TYR13 4.7 10.0 1.0 CB A:ALA53 4.8 7.5 1.0 SG A:CYS16 4.8 15.0 1.0 SG A:CYS8 4.8 11.1 1.0 CG1 A:ILE54 4.9 6.8 1.0 N A:CYS49 5.0 13.1 1.0 CB A:CYS8 5.0 8.3 1.0 CD1 A:ILE54 5.0 9.8 1.0

V.Sridhar, C.D.Stout, K.Chen, M.A.Kemper, B.K.Burgess. Crystal Structure of the D15K/K84D Mutant of Azotobacter Vinelandii Ferredoxin I To Be Published.