Iron in PDB 7a9a: Crystal Structure of Rubredoxin B (RV3250C) From Mycobacterium Tuberculosis

The structure of Crystal Structure of Rubredoxin B (RV3250C) From Mycobacterium Tuberculosis, PDB code: 7a9a was solved by D.Vakhrameev, A.Kavaleuski, S.Bukhdruker, E.Marin, T.Sushko, I.P.Grabovec, A.Gilep, N.Strushkevich, V.Borshchevskiy, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.95 / 1.17
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	21.035, 61.322, 76.91, 90.15, 90.32, 93.75
R / Rfree (%)	15.4 / 18.7

The structure of Crystal Structure of Rubredoxin B (RV3250C) From Mycobacterium Tuberculosis also contains other interesting chemical elements:

Zinc	(Zn)	43 atoms
Chlorine	(Cl)	1 atom

The binding sites of Iron atom in the Crystal Structure of Rubredoxin B (RV3250C) From Mycobacterium Tuberculosis (pdb code 7a9a). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 8 binding sites of Iron where determined in the Crystal Structure of Rubredoxin B (RV3250C) From Mycobacterium Tuberculosis, PDB code: 7a9a:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Iron binding site 1 out of 8 in the Crystal Structure of Rubredoxin B (RV3250C) From Mycobacterium Tuberculosis


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 Rubredoxin B (RV3250C) From Mycobacterium Tuberculosis within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe101 b:5.8 occ:1.00 SG A:CYS45 2.3 9.0 1.0 SG A:CYS12 2.3 8.4 1.0 SG A:CYS9 2.3 8.7 1.0 SG A:CYS42 2.3 7.0 1.0 HB3 A:CYS12 3.1 10.9 1.0 HB3 A:CYS45 3.2 10.4 1.0 HB3 A:CYS9 3.2 10.5 1.0 CB A:CYS9 3.2 8.8 1.0 HB3 A:CYS42 3.2 8.2 1.0 CB A:CYS42 3.2 6.9 1.0 H A:CYS12 3.3 14.2 1.0 HB2 A:CYS9 3.3 10.5 1.0 CB A:CYS12 3.3 9.1 1.0 CB A:CYS45 3.3 8.7 1.0 HB2 A:CYS42 3.3 8.2 1.0 H A:CYS45 3.4 9.9 1.0 HB3 A:GLN11 3.6 20.9 1.0 HB3 A:PHE14 3.6 9.8 1.0 N A:CYS12 3.8 11.8 1.0 N A:CYS45 3.8 8.3 1.0 HB3 A:ALA47 3.8 11.5 1.0 HB2 A:ASP44 4.0 10.7 1.0 H A:ALA47 4.0 11.3 1.0 CA A:CYS45 4.1 8.2 1.0 H A:PHE14 4.1 10.6 1.0 CA A:CYS12 4.1 10.0 1.0 HB2 A:CYS12 4.1 10.9 1.0 HB2 A:CYS45 4.1 10.4 1.0 HB2 A:ALA47 4.2 11.5 1.0 H A:GLN11 4.4 16.9 1.0 H A:ASP44 4.4 10.1 1.0 H A:GLY13 4.4 11.5 1.0 HB2 A:PHE14 4.4 9.8 1.0 CB A:PHE14 4.4 8.1 1.0 CB A:ALA47 4.5 9.6 1.0 H A:GLY46 4.5 10.0 1.0 CB A:GLN11 4.5 17.4 1.0 C A:ASP44 4.6 9.1 1.0 CA A:CYS9 4.7 8.6 1.0 CA A:CYS42 4.7 7.4 1.0 C A:CYS45 4.7 8.5 1.0 C A:CYS12 4.7 10.4 1.0 C A:GLN11 4.7 13.1 1.0 N A:GLY13 4.8 9.6 1.0 N A:GLY46 4.8 8.4 1.0 N A:ALA47 4.8 9.4 1.0 CB A:ASP44 4.8 8.9 1.0 N A:PHE14 4.9 8.8 1.0 HG2 A:GLN11 4.9 24.4 1.0 HA A:CYS45 4.9 9.9 1.0 HA A:CYS12 4.9 12.0 1.0 HD2 A:PHE14 4.9 9.3 1.0 N A:ASP44 5.0 8.4 1.0

Iron binding site 2 out of 8 in the Crystal Structure of Rubredoxin B (RV3250C) From Mycobacterium Tuberculosis


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 Rubredoxin B (RV3250C) From Mycobacterium Tuberculosis within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe101 b:8.4 occ:1.00 SG B:CYS45 2.3 11.0 1.0 SG B:CYS9 2.3 9.1 1.0 SG B:CYS42 2.3 9.2 1.0 SG B:CYS12 2.4 12.1 1.0 HB3 B:CYS9 3.1 10.6 1.0 HB3 B:CYS42 3.2 11.4 1.0 HB3 B:CYS12 3.2 15.6 1.0 CB B:CYS42 3.2 9.5 1.0 HB3 B:CYS45 3.2 13.2 1.0 CB B:CYS9 3.2 8.8 1.0 HB2 B:CYS42 3.3 11.4 1.0 HB2 B:CYS9 3.3 10.6 1.0 CB B:CYS45 3.4 11.0 1.0 CB B:CYS12 3.4 13.0 1.0 H B:CYS45 3.4 13.2 1.0 H B:CYS12 3.4 15.8 1.0 HB3 B:PHE14 3.5 11.3 1.0 HB3 B:ALA47 3.6 13.2 1.0 HB2 B:GLN11 3.8 16.2 0.6 HB2 B:ASP44 3.8 15.1 1.0 N B:CYS45 3.8 11.0 1.0 HB3 B:GLN11 3.8 16.7 0.4 N B:CYS12 3.9 13.1 1.0 H B:ALA47 3.9 12.4 1.0 H B:PHE14 4.0 12.4 1.0 CA B:CYS45 4.1 10.4 1.0 HB2 B:ALA47 4.1 13.2 1.0 HB2 B:CYS45 4.1 13.2 1.0 HB2 B:CYS12 4.2 15.6 1.0 CA B:CYS12 4.2 13.2 1.0 HG2 B:GLN11 4.3 17.3 0.4 CB B:ALA47 4.3 11.0 1.0 HB2 B:PHE14 4.4 11.3 1.0 CB B:PHE14 4.4 9.4 1.0 H B:ASP44 4.4 14.2 1.0 H B:GLY13 4.5 14.6 1.0 H B:GLY46 4.6 12.4 1.0 CA B:CYS9 4.7 8.7 1.0 CA B:CYS42 4.7 9.6 1.0 CB B:GLN11 4.7 13.9 0.4 H B:GLN11 4.7 15.9 0.6 H B:GLN11 4.7 15.9 0.4 C B:ASP44 4.7 11.8 1.0 CB B:ASP44 4.7 12.6 1.0 CB B:GLN11 4.7 13.5 0.6 C B:CYS45 4.7 10.5 1.0 N B:ALA47 4.8 10.3 1.0 C B:CYS12 4.8 13.1 1.0 C B:GLN11 4.8 13.6 1.0 N B:PHE14 4.8 10.4 1.0 N B:GLY13 4.8 12.2 1.0 N B:GLY46 4.9 10.3 1.0 HZ B:PHE52 4.9 10.6 1.0 CG B:GLN11 4.9 14.4 0.4 HD2 B:PHE14 4.9 11.6 1.0 HB3 B:GLN11 5.0 16.2 0.6 HB3 B:ASP44 5.0 15.1 1.0 HA B:CYS45 5.0 12.5 1.0 N B:ASP44 5.0 11.8 1.0 HA B:CYS12 5.0 15.9 1.0

Iron binding site 3 out of 8 in the Crystal Structure of Rubredoxin B (RV3250C) From Mycobacterium Tuberculosis


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 Rubredoxin B (RV3250C) From Mycobacterium Tuberculosis within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe101 b:7.1 occ:1.00 SG C:CYS12 2.3 8.4 1.0 SG C:CYS45 2.3 8.7 1.0 SG C:CYS9 2.3 7.5 1.0 SG C:CYS42 2.3 7.4 1.0 HB3 C:CYS12 3.1 10.1 1.0 HB3 C:CYS9 3.1 8.9 1.0 HB3 C:CYS42 3.2 7.8 1.0 CB C:CYS42 3.2 6.5 1.0 CB C:CYS9 3.2 7.4 1.0 HB3 C:CYS45 3.2 11.0 1.0 HB2 C:CYS42 3.3 7.8 1.0 CB C:CYS12 3.3 8.4 1.0 H C:CYS12 3.3 11.2 1.0 CB C:CYS45 3.4 9.1 1.0 HB2 C:CYS9 3.4 8.9 1.0 H C:CYS45 3.4 10.7 1.0 HB3 C:PHE14 3.5 9.9 1.0 HB2 C:GLN11 3.7 15.3 1.0 HB3 C:ALA47 3.8 11.2 1.0 N C:CYS45 3.8 8.9 1.0 N C:CYS12 3.8 9.3 1.0 H C:ALA47 3.9 10.6 1.0 HB2 C:ASP44 4.0 12.0 1.0 H C:PHE14 4.0 10.3 1.0 CA C:CYS12 4.1 8.2 1.0 HB2 C:CYS12 4.1 10.1 1.0 CA C:CYS45 4.1 9.1 1.0 HB2 C:CYS45 4.2 11.0 1.0 HB2 C:ALA47 4.3 11.2 1.0 H C:ASP44 4.4 10.2 1.0 CB C:PHE14 4.4 8.2 1.0 HB2 C:PHE14 4.4 9.9 1.0 CB C:ALA47 4.5 9.4 1.0 H C:GLY13 4.5 10.7 1.0 H C:GLY46 4.5 11.2 1.0 H C:GLN11 4.5 12.7 1.0 C C:ASP44 4.6 10.0 1.0 CB C:GLN11 4.6 12.8 1.0 CA C:CYS42 4.6 7.6 1.0 CA C:CYS9 4.7 7.7 1.0 C C:CYS45 4.7 9.4 1.0 C C:CYS12 4.7 8.4 1.0 C C:GLN11 4.7 10.6 1.0 N C:ALA47 4.8 8.8 1.0 N C:GLY46 4.8 9.3 1.0 N C:GLY13 4.8 8.9 1.0 N C:PHE14 4.8 8.6 1.0 CB C:ASP44 4.8 10.0 1.0 HD2 C:PHE14 4.9 9.7 1.0 HA C:CYS12 4.9 9.8 1.0 HA C:CYS45 4.9 10.9 1.0 HB3 C:GLN11 5.0 15.3 1.0 N C:ASP44 5.0 8.5 1.0 HA C:CYS42 5.0 9.1 1.0

Iron binding site 4 out of 8 in the Crystal Structure of Rubredoxin B (RV3250C) From Mycobacterium Tuberculosis


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 Rubredoxin B (RV3250C) From Mycobacterium Tuberculosis within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe101 b:8.1 occ:1.00 SG D:CYS45 2.3 9.7 1.0 SG D:CYS42 2.3 8.3 1.0 SG D:CYS12 2.3 8.7 1.0 SG D:CYS9 2.3 8.9 1.0 HB3 D:CYS45 3.2 12.2 1.0 HB3 D:CYS9 3.2 10.6 1.0 HB3 D:CYS42 3.2 9.8 1.0 HB3 D:CYS12 3.2 10.9 1.0 CB D:CYS42 3.2 8.2 1.0 CB D:CYS9 3.3 8.8 1.0 CB D:CYS45 3.3 10.2 1.0 HB2 D:CYS42 3.3 9.8 1.0 CB D:CYS12 3.4 9.1 1.0 H D:CYS12 3.4 12.4 1.0 H D:CYS45 3.4 11.5 1.0 HB2 D:CYS9 3.4 10.6 1.0 HB3 D:PHE14 3.5 10.3 1.0 HB3 D:GLN11 3.7 15.0 0.6 HB3 D:ALA47 3.7 13.2 1.0 HB2 D:GLN11 3.7 14.3 0.4 N D:CYS45 3.8 9.6 1.0 N D:CYS12 3.8 10.4 1.0 H D:ALA47 3.9 13.4 1.0 HB2 D:ASP44 4.0 10.9 1.0 CA D:CYS45 4.1 9.7 1.0 H D:PHE14 4.1 10.8 1.0 HB2 D:ALA47 4.1 13.2 1.0 HB2 D:CYS45 4.1 12.2 1.0 CA D:CYS12 4.1 9.6 1.0 HB2 D:CYS12 4.1 10.9 1.0 H D:ASP44 4.3 11.2 1.0 HB2 D:PHE14 4.4 10.3 1.0 CB D:ALA47 4.4 11.0 1.0 CB D:PHE14 4.4 8.6 1.0 H D:GLY46 4.5 12.5 1.0 H D:GLN11 4.5 14.7 0.4 H D:GLN11 4.5 14.7 0.6 C D:ASP44 4.6 9.8 1.0 CB D:GLN11 4.6 12.5 0.6 H D:GLY13 4.6 11.2 1.0 C D:CYS45 4.7 10.7 1.0 CB D:GLN11 4.7 11.9 0.4 CA D:CYS42 4.7 8.0 1.0 CA D:CYS9 4.7 8.8 1.0 C D:GLN11 4.7 11.2 1.0 C D:CYS12 4.7 9.7 1.0 N D:ALA47 4.7 11.2 1.0 N D:GLY46 4.8 10.4 1.0 CB D:ASP44 4.8 9.1 1.0 N D:PHE14 4.9 9.0 1.0 N D:GLY13 4.9 9.4 1.0 HD2 D:PHE14 4.9 10.9 1.0 HA D:CYS45 4.9 11.6 1.0 HA D:CYS12 5.0 11.4 1.0 N D:ASP44 5.0 9.3 1.0

Iron binding site 5 out of 8 in the Crystal Structure of Rubredoxin B (RV3250C) From Mycobacterium Tuberculosis


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 Rubredoxin B (RV3250C) From Mycobacterium Tuberculosis within 5.0Å range: probe atom residue distance (Å) B Occ E:Fe101 b:9.7 occ:1.00 SG E:CYS45 2.3 12.2 1.0 SG E:CYS42 2.3 9.8 1.0 SG E:CYS12 2.3 12.1 1.0 SG E:CYS9 2.4 9.8 1.0 HB3 E:CYS45 3.1 14.6 1.0 HB3 E:CYS9 3.1 11.6 1.0 HB3 E:CYS42 3.2 11.6 1.0 HB3 E:CYS12 3.2 15.2 1.0 CB E:CYS42 3.2 9.6 1.0 CB E:CYS9 3.2 9.7 1.0 HB2 E:CYS42 3.3 11.6 1.0 CB E:CYS45 3.3 12.2 1.0 HB2 E:CYS9 3.4 11.6 1.0 CB E:CYS12 3.4 12.7 1.0 HB3 E:PHE14 3.5 13.4 1.0 H E:CYS45 3.5 14.9 1.0 H E:CYS12 3.5 17.5 1.0 HB2 E:GLN11 3.7 19.9 1.0 HB3 E:ALA47 3.7 13.1 1.0 N E:CYS45 3.8 12.4 1.0 N E:CYS12 3.9 14.6 1.0 H E:ALA47 3.9 12.5 1.0 HB2 E:ASP44 4.0 16.0 1.0 H E:PHE14 4.0 14.4 1.0 HB2 E:CYS45 4.1 14.6 1.0 HB2 E:ALA47 4.1 13.1 1.0 CA E:CYS45 4.1 12.0 1.0 HB2 E:CYS12 4.1 15.2 1.0 CA E:CYS12 4.2 13.8 1.0 HB2 E:PHE14 4.3 13.4 1.0 CB E:PHE14 4.3 11.2 1.0 CB E:ALA47 4.4 10.9 1.0 H E:ASP44 4.4 13.9 1.0 H E:GLY46 4.5 13.8 1.0 H E:GLN11 4.5 18.9 1.0 CB E:GLN11 4.5 16.6 1.0 H E:GLY13 4.6 16.9 1.0 CA E:CYS42 4.6 9.9 1.0 C E:ASP44 4.6 12.9 1.0 HB3 E:GLN11 4.7 19.9 1.0 CA E:CYS9 4.7 9.5 1.0 C E:CYS45 4.7 11.8 1.0 C E:GLN11 4.7 15.6 1.0 N E:ALA47 4.8 10.4 1.0 C E:CYS12 4.8 14.6 1.0 N E:GLY46 4.8 11.5 1.0 N E:PHE14 4.8 12.0 1.0 HZ E:PHE52 4.8 8.6 1.0 CB E:ASP44 4.9 13.3 1.0 N E:GLY13 4.9 14.1 1.0 HD2 E:PHE14 4.9 12.7 1.0 HA E:CYS45 4.9 14.4 1.0 HA E:CYS42 5.0 11.9 1.0

Iron binding site 6 out of 8 in the Crystal Structure of Rubredoxin B (RV3250C) From Mycobacterium Tuberculosis


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 Rubredoxin B (RV3250C) From Mycobacterium Tuberculosis within 5.0Å range: probe atom residue distance (Å) B Occ F:Fe101 b:8.0 occ:1.00 SG F:CYS45 2.3 10.3 1.0 SG F:CYS9 2.3 8.9 1.0 SG F:CYS12 2.3 9.8 1.0 SG F:CYS42 2.3 8.7 1.0 HB3 F:CYS12 3.2 12.7 1.0 HB3 F:CYS42 3.2 10.4 1.0 HB3 F:CYS9 3.2 10.2 1.0 HB3 F:CYS45 3.2 13.2 1.0 CB F:CYS42 3.2 8.7 1.0 CB F:CYS9 3.2 8.5 1.0 HB2 F:CYS42 3.3 10.4 1.0 H F:CYS12 3.3 13.5 1.0 CB F:CYS12 3.3 10.6 1.0 HB2 F:CYS9 3.3 10.2 1.0 CB F:CYS45 3.3 11.0 1.0 H F:CYS45 3.4 13.2 1.0 HB3 F:PHE14 3.5 11.2 1.0 HB3 F:ALA47 3.6 12.6 1.0 N F:CYS45 3.8 11.0 1.0 HB3 F:GLN11 3.8 15.9 1.0 N F:CYS12 3.8 11.3 1.0 H F:ALA47 3.8 12.5 1.0 HB2 F:ALA47 3.9 12.6 1.0 H F:PHE14 3.9 12.8 1.0 HB2 F:ASP44 4.0 13.9 1.0 CA F:CYS45 4.1 10.6 1.0 CA F:CYS12 4.1 11.0 1.0 HB2 F:CYS12 4.1 12.7 1.0 HB2 F:CYS45 4.1 13.2 1.0 CB F:ALA47 4.2 10.5 1.0 HB2 F:PHE14 4.3 11.2 1.0 CB F:PHE14 4.3 9.3 1.0 H F:ASP44 4.3 12.8 1.0 H F:GLY13 4.5 12.4 1.0 H F:GLY46 4.5 12.2 1.0 H F:GLN11 4.6 14.0 1.0 C F:ASP44 4.6 11.1 1.0 CA F:CYS42 4.6 8.8 1.0 N F:ALA47 4.6 10.4 1.0 C F:CYS45 4.6 10.4 1.0 C F:CYS12 4.7 11.1 1.0 CA F:CYS9 4.7 7.7 1.0 N F:PHE14 4.7 10.7 1.0 CB F:GLN11 4.7 13.2 1.0 C F:GLN11 4.7 12.6 1.0 N F:GLY13 4.8 10.3 1.0 N F:GLY46 4.8 10.2 1.0 CB F:ASP44 4.8 11.6 1.0 HZ F:PHE52 4.9 11.0 1.0 HA F:CYS45 4.9 12.7 1.0 HA F:CYS12 4.9 13.2 1.0 HD2 F:PHE14 4.9 11.1 1.0 HB1 F:ALA47 4.9 12.6 1.0 N F:ASP44 4.9 10.7 1.0 HA F:CYS42 5.0 10.6 1.0 CA F:ASP44 5.0 10.7 1.0

Iron binding site 7 out of 8 in the Crystal Structure of Rubredoxin B (RV3250C) From Mycobacterium Tuberculosis


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 Rubredoxin B (RV3250C) From Mycobacterium Tuberculosis within 5.0Å range: probe atom residue distance (Å) B Occ G:Fe101 b:6.8 occ:1.00 SG G:CYS45 2.3 9.3 1.0 SG G:CYS12 2.3 8.0 1.0 SG G:CYS9 2.3 8.5 1.0 SG G:CYS42 2.3 8.1 1.0 HB3 G:CYS9 3.1 9.3 1.0 HB3 G:CYS42 3.2 10.2 1.0 HB3 G:CYS12 3.2 9.9 1.0 HB3 G:CYS45 3.2 11.6 1.0 CB G:CYS42 3.2 8.5 1.0 CB G:CYS9 3.2 7.8 1.0 HB2 G:CYS42 3.3 10.2 1.0 H G:CYS45 3.3 11.7 1.0 CB G:CYS45 3.3 9.7 1.0 H G:CYS12 3.3 12.1 1.0 CB G:CYS12 3.4 8.3 1.0 HB2 G:CYS9 3.4 9.3 1.0 HB3 G:PHE14 3.6 9.1 1.0 HB3 G:ALA47 3.7 13.4 1.0 HB3 G:GLN11 3.8 16.4 0.6 N G:CYS45 3.8 9.8 1.0 HB2 G:GLN11 3.8 15.4 0.4 N G:CYS12 3.8 10.1 1.0 HB2 G:ASP44 3.9 11.8 1.0 H G:ALA47 3.9 13.0 1.0 H G:PHE14 4.0 9.0 1.0 CA G:CYS45 4.1 9.6 1.0 CA G:CYS12 4.1 8.8 1.0 HB2 G:CYS45 4.1 11.6 1.0 HB2 G:ALA47 4.1 13.4 1.0 HB2 G:CYS12 4.1 9.9 1.0 HB2 G:PHE14 4.3 9.1 1.0 CB G:PHE14 4.4 7.5 1.0 H G:ASP44 4.4 10.7 1.0 CB G:ALA47 4.4 11.1 1.0 H G:GLY13 4.4 9.4 1.0 H G:GLY46 4.5 13.2 1.0 H G:GLN11 4.5 15.0 0.4 H G:GLN11 4.5 15.0 0.6 C G:ASP44 4.6 10.1 1.0 CA G:CYS42 4.7 8.6 1.0 C G:CYS45 4.7 10.2 1.0 CA G:CYS9 4.7 7.6 1.0 CB G:GLN11 4.7 13.7 0.6 C G:GLN11 4.7 12.0 1.0 CB G:GLN11 4.7 12.8 0.4 CB G:ASP44 4.7 9.8 1.0 N G:ALA47 4.7 10.8 1.0 C G:CYS12 4.8 8.2 1.0 N G:GLY46 4.8 11.0 1.0 HG2 G:GLN11 4.8 17.6 0.6 N G:PHE14 4.8 7.5 1.0 N G:GLY13 4.8 7.9 1.0 HA G:CYS45 4.9 11.5 1.0 HA G:CYS12 5.0 10.5 1.0 HB3 G:ASP44 5.0 11.8 1.0 N G:ASP44 5.0 8.9 1.0

Iron binding site 8 out of 8 in the Crystal Structure of Rubredoxin B (RV3250C) From Mycobacterium Tuberculosis


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 Rubredoxin B (RV3250C) From Mycobacterium Tuberculosis within 5.0Å range: probe atom residue distance (Å) B Occ H:Fe102 b:6.5 occ:1.00 SG H:CYS12 2.3 10.4 1.0 SG H:CYS9 2.3 7.4 1.0 SG H:CYS42 2.3 8.3 1.0 SG H:CYS45 2.3 10.3 1.0 HB3 H:CYS12 3.1 12.8 1.0 HB3 H:CYS9 3.2 8.5 1.0 HB3 H:CYS42 3.2 10.4 1.0 HB3 H:CYS45 3.2 11.9 1.0 CB H:CYS42 3.2 8.6 1.0 CB H:CYS9 3.2 7.1 1.0 HB2 H:CYS42 3.3 10.4 1.0 CB H:CYS12 3.3 10.6 1.0 H H:CYS12 3.4 13.1 1.0 CB H:CYS45 3.4 9.9 1.0 HB2 H:CYS9 3.4 8.5 1.0 H H:CYS45 3.4 12.3 1.0 HB3 H:PHE14 3.5 9.3 1.0 HB3 H:ALA47 3.7 12.2 1.0 HB3 H:GLN11 3.8 14.3 0.7 HB2 H:GLN11 3.8 13.3 0.3 N H:CYS45 3.8 10.2 1.0 N H:CYS12 3.9 10.9 1.0 H H:ALA47 3.9 12.9 1.0 HB2 H:ASP44 3.9 14.5 1.0 H H:PHE14 4.0 10.5 1.0 HB2 H:ALA47 4.0 12.2 1.0 HB2 H:CYS12 4.1 12.8 1.0 CA H:CYS45 4.1 10.3 1.0 CA H:CYS12 4.1 10.8 1.0 HB2 H:CYS45 4.2 11.9 1.0 CB H:ALA47 4.3 10.2 1.0 CB H:PHE14 4.3 7.8 1.0 HB2 H:PHE14 4.3 9.3 1.0 H H:ASP44 4.3 12.1 1.0 H H:GLY13 4.5 12.1 1.0 C H:ASP44 4.6 10.7 1.0 H H:GLY46 4.6 13.0 1.0 CB H:GLN11 4.6 11.1 0.3 CA H:CYS42 4.7 8.9 1.0 CA H:CYS9 4.7 7.5 1.0 C H:CYS45 4.7 11.1 1.0 CB H:GLN11 4.7 12.0 0.7 N H:ALA47 4.7 10.7 1.0 H H:GLN11 4.7 13.4 0.7 C H:CYS12 4.7 11.1 1.0 H H:GLN11 4.7 13.4 0.3 CB H:ASP44 4.8 12.1 1.0 HB3 H:GLN11 4.8 13.3 0.3 N H:PHE14 4.8 8.8 1.0 C H:GLN11 4.8 11.5 1.0 N H:GLY13 4.8 10.1 1.0 N H:GLY46 4.8 10.8 1.0 HG2 H:GLN11 4.9 14.8 0.7 HD2 H:PHE14 4.9 10.2 1.0 HA H:CYS45 4.9 12.3 1.0 HA H:CYS12 5.0 12.9 1.0 N H:ASP44 5.0 10.1 1.0 HA H:CYS42 5.0 10.7 1.0 HZ H:PHE52 5.0 11.2 1.0

T.Sushko, A.Kavaleuski, I.Grabovec, A.Kavaleuskaya, D.Vakhrameev, S.Bukhdruker, E.Marin, A.Kuzikov, R.Masamrekh, V.Shumyantseva, K.Tsumoto, V.Borshchevskiy, A.Gilep, N.Strushkevich. A New Twist of Rubredoxin Function in M. Tuberculosis. Bioorg.Chem. V. 109 04721 2021.
ISSN: ISSN 0045-2068
PubMed: 33618255
DOI: 10.1016/J.BIOORG.2021.104721