Iron in PDB 1a6l: T14C Mutant of Azotobacter Vinelandii Fdi

The structure of T14C Mutant of Azotobacter Vinelandii Fdi, PDB code: 1a6l was solved by H.S.Gao-Sheridan, M.A.Kemper, R.Khayat, F.A.Armstrong, G.S.Prasad, V.Sridhar, C.D.Stout, 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 (°)	55.880, 55.880, 96.400, 90.00, 90.00, 90.00
R / Rfree (%)	20.6 / n/a

The binding sites of Iron atom in the T14C Mutant of Azotobacter Vinelandii Fdi (pdb code 1a6l). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 7 binding sites of Iron where determined in the T14C Mutant of Azotobacter Vinelandii Fdi, PDB code: 1a6l:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7;

Iron binding site 1 out of 7 in the T14C 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 T14C Mutant of Azotobacter Vinelandii Fdi within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe107 b:17.0 occ:1.00 FE1 A:SF4107 0.0 17.0 1.0 SG A:CYS39 2.3 17.7 1.0 S2 A:SF4107 2.4 16.1 1.0 S4 A:SF4107 2.4 16.7 1.0 S3 A:SF4107 2.4 18.0 1.0 FE3 A:SF4107 2.7 17.9 1.0 FE2 A:SF4107 2.7 17.0 1.0 FE4 A:SF4107 2.7 17.7 1.0 CB A:CYS39 3.3 15.0 1.0 CA A:CYS39 3.8 16.5 1.0 S1 A:SF4107 4.0 17.6 1.0 N A:ILE40 4.1 15.2 1.0 N A:ASP41 4.1 16.8 1.0 SG A:CYS24 4.1 16.4 1.0 C A:CYS39 4.3 16.3 1.0 CB A:PHE2 4.5 15.3 1.0 CA A:ASP41 4.6 18.5 1.0 CG2 A:ILE34 4.6 8.4 1.0 N A:CYS42 4.7 19.4 1.0 SG A:CYS45 4.8 17.9 1.0 CD1 A:PHE2 4.8 16.2 1.0 SG A:CYS20 4.9 18.4 1.0 CG A:PHE2 4.9 17.5 1.0 SG A:CYS42 4.9 19.0 1.0 N A:PHE2 4.9 16.7 1.0

Iron binding site 2 out of 7 in the T14C 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 T14C Mutant of Azotobacter Vinelandii Fdi within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe107 b:17.0 occ:1.00 FE2 A:SF4107 0.0 17.0 1.0 SG A:CYS42 2.3 19.0 1.0 S1 A:SF4107 2.3 17.6 1.0 S3 A:SF4107 2.3 18.0 1.0 S4 A:SF4107 2.4 16.7 1.0 FE4 A:SF4107 2.7 17.7 1.0 FE1 A:SF4107 2.7 17.0 1.0 FE3 A:SF4107 2.7 17.9 1.0 CB A:CYS42 3.6 17.5 1.0 N A:CYS42 3.6 19.4 1.0 N A:ALA43 3.9 16.8 1.0 S2 A:SF4107 4.0 16.1 1.0 CA A:CYS42 4.0 17.9 1.0 CD A:PRO21 4.2 17.4 1.0 C A:CYS42 4.3 18.1 1.0 N A:LEU44 4.3 17.0 1.0 C A:ASP41 4.6 19.2 1.0 SG A:CYS39 4.7 17.7 1.0 SG A:CYS20 4.7 18.4 1.0 SG A:CYS45 4.7 17.9 1.0 N A:ASP41 4.8 16.8 1.0 CB A:LEU44 4.8 17.5 1.0 CA A:ALA43 4.8 15.6 1.0 CG A:PRO21 4.8 16.6 1.0 CG1 A:ILE40 4.8 14.6 1.0 CA A:ASP41 4.9 18.5 1.0 N A:CYS45 5.0 18.5 1.0

Iron binding site 3 out of 7 in the T14C 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 T14C Mutant of Azotobacter Vinelandii Fdi within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe107 b:17.9 occ:1.00 FE3 A:SF4107 0.0 17.9 1.0 SG A:CYS45 2.3 17.9 1.0 S2 A:SF4107 2.4 16.1 1.0 S4 A:SF4107 2.4 16.7 1.0 S1 A:SF4107 2.4 17.6 1.0 FE1 A:SF4107 2.7 17.0 1.0 FE4 A:SF4107 2.7 17.7 1.0 FE2 A:SF4107 2.7 17.0 1.0 CB A:CYS45 3.4 17.8 1.0 S3 A:SF4107 4.0 18.0 1.0 N A:CYS45 4.1 18.5 1.0 CA A:CYS45 4.3 18.2 1.0 CE1 A:PHE25 4.4 12.0 1.0 CB A:PHE2 4.5 15.3 1.0 CZ A:PHE25 4.5 12.5 1.0 SG A:CYS42 4.7 19.0 1.0 CD1 A:ILE34 4.7 11.3 1.0 SG A:CYS39 4.7 17.7 1.0 CG A:PHE2 4.7 17.5 1.0 SG A:CYS20 4.8 18.4 1.0 N A:LEU44 4.8 17.0 1.0 N A:ALA43 5.0 16.8 1.0

Iron binding site 4 out of 7 in the T14C 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 T14C Mutant of Azotobacter Vinelandii Fdi within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe107 b:17.7 occ:1.00 FE4 A:SF4107 0.0 17.7 1.0 SG A:CYS20 2.3 18.4 1.0 S1 A:SF4107 2.3 17.6 1.0 S3 A:SF4107 2.4 18.0 1.0 S2 A:SF4107 2.4 16.1 1.0 FE2 A:SF4107 2.7 17.0 1.0 FE3 A:SF4107 2.7 17.9 1.0 FE1 A:SF4107 2.7 17.0 1.0 CB A:CYS20 3.4 19.8 1.0 SG A:CYS24 3.6 16.4 1.0 CA A:CYS20 3.8 21.7 1.0 S4 A:SF4107 4.0 16.7 1.0 CE1 A:PHE25 4.2 12.0 1.0 CD A:PRO21 4.3 17.4 1.0 CG2 A:VAL22 4.5 22.0 1.0 C A:CYS20 4.5 22.3 1.0 SG A:CYS42 4.6 19.0 1.0 N A:PRO21 4.6 20.1 1.0 CD1 A:PHE25 4.8 13.0 1.0 SG A:CYS45 4.8 17.9 1.0 SG A:CYS39 4.9 17.7 1.0 N A:CYS20 4.9 22.8 1.0

Iron binding site 5 out of 7 in the T14C 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 T14C Mutant of Azotobacter Vinelandii Fdi within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe108 b:14.2 occ:1.00 FE1 A:F3S108 0.0 14.2 1.0 SG A:CYS16 2.3 19.9 1.0 S2 A:F3S108 2.3 12.4 1.0 S3 A:F3S108 2.3 12.4 1.0 S1 A:F3S108 2.4 12.3 1.0 FE4 A:F3S108 2.7 14.5 1.0 FE3 A:F3S108 2.7 14.6 1.0 CB A:CYS16 3.4 20.0 1.0 S4 A:F3S108 4.0 12.4 1.0 N A:CYS14 4.0 17.2 1.0 N A:CYS16 4.1 24.3 1.0 CD2 A:LEU32 4.2 15.5 1.0 CA A:CYS14 4.2 18.9 1.0 CA A:CYS16 4.4 21.0 1.0 N A:ASP15 4.6 21.4 1.0 CD1 A:ILE54 4.6 14.3 1.0 C A:CYS14 4.6 19.0 1.0 SG A:CYS49 4.7 16.3 1.0 SG A:CYS8 4.8 13.9 1.0 CB A:LEU32 4.9 13.5 1.0 CE2 A:PHE25 4.9 11.7 1.0

Iron binding site 6 out of 7 in the T14C 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 T14C Mutant of Azotobacter Vinelandii Fdi within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe108 b:14.6 occ:1.00 FE3 A:F3S108 0.0 14.6 1.0 SG A:CYS8 2.3 13.9 1.0 S4 A:F3S108 2.3 12.4 1.0 S1 A:F3S108 2.3 12.3 1.0 S3 A:F3S108 2.3 12.4 1.0 FE4 A:F3S108 2.7 14.5 1.0 FE1 A:F3S108 2.7 14.2 1.0 CB A:CYS8 3.3 15.4 1.0 S2 A:F3S108 3.9 12.4 1.0 CA A:CYS8 4.0 17.7 1.0 CA A:LYS12 4.0 16.6 1.0 N A:LYS12 4.4 16.6 1.0 N A:TYR13 4.4 17.8 1.0 CG1 A:VAL4 4.4 6.5 1.0 CB A:LEU32 4.6 13.5 1.0 SG A:CYS49 4.7 16.3 1.0 O A:CYS8 4.7 15.4 1.0 C A:LYS12 4.7 17.5 1.0 C A:CYS8 4.8 17.1 1.0 SG A:CYS16 4.8 19.9 1.0 N A:CYS14 4.9 17.2 1.0

Iron binding site 7 out of 7 in the T14C 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 T14C Mutant of Azotobacter Vinelandii Fdi within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe108 b:14.5 occ:1.00 FE4 A:F3S108 0.0 14.5 1.0 SG A:CYS49 2.3 16.3 1.0 S3 A:F3S108 2.3 12.4 1.0 S2 A:F3S108 2.3 12.4 1.0 S4 A:F3S108 2.4 12.4 1.0 FE3 A:F3S108 2.7 14.6 1.0 FE1 A:F3S108 2.7 14.2 1.0 CB A:CYS49 3.3 18.7 1.0 CA A:CYS49 3.8 18.7 1.0 S1 A:F3S108 4.0 12.3 1.0 CD A:PRO50 4.3 14.2 1.0 C A:CYS49 4.5 17.3 1.0 CB A:ALA51 4.6 15.5 1.0 N A:PRO50 4.6 16.2 1.0 SG A:CYS16 4.7 19.9 1.0 CB A:ALA53 4.7 14.6 1.0 N A:ALA51 4.7 18.3 1.0 SG A:CYS8 4.7 13.9 1.0 CB A:TYR13 4.8 17.1 1.0 CD2 A:TYR13 4.8 16.6 1.0 CD1 A:ILE54 4.9 14.3 1.0 CB A:CYS8 5.0 15.4 1.0 CG1 A:ILE54 5.0 15.6 1.0

H.S.Gao-Sheridan, M.A.Kemper, R.Khayat, G.J.Tilley, F.A.Armstrong, V.Sridhar, G.S.Prasad, C.D.Stout, B.K.Burgess. A T14C Variant of Azotobacter Vinelandii Ferredoxin I Undergoes Facile [3FE-4S]0 to [4FE-4S]2+ Conversion in Vitro But Not in Vivo. J.Biol.Chem. V. 273 33692 1998.
ISSN: ISSN 0021-9258
PubMed: 9837955
DOI: 10.1074/JBC.273.50.33692