Iron in PDB 6cz6: Mycobacterium Tuberculosis Transcriptional Regulator

The structure of Mycobacterium Tuberculosis Transcriptional Regulator, PDB code: 6cz6 was solved by S.Tang, J.Sacchettini, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.68 / 2.70
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	96.188, 142.365, 145.963, 90.00, 90.00, 90.00
R / Rfree (%)	18.2 / 21.2

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 16;

Binding sites:

The binding sites of Iron atom in the Mycobacterium Tuberculosis Transcriptional Regulator (pdb code 6cz6). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 16 binding sites of Iron where determined in the Mycobacterium Tuberculosis Transcriptional Regulator, PDB code: 6cz6:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iron binding site 1 out of 16 in the Mycobacterium Tuberculosis Transcriptional Regulator


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Mycobacterium Tuberculosis Transcriptional Regulator within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe502 b:56.1 occ:1.00 FE1 A:SF4502 0.0 56.1 1.0 SG A:CYS447 2.3 65.9 1.0 S4 A:SF4502 2.3 55.5 1.0 S3 A:SF4502 2.3 60.8 1.0 S2 A:SF4502 2.3 66.9 1.0 FE3 A:SF4502 2.7 60.0 1.0 FE4 A:SF4502 2.7 61.5 1.0 FE2 A:SF4502 2.7 58.2 1.0 CB A:CYS447 3.4 63.4 1.0 CA A:CYS447 3.5 65.9 1.0 N A:CYS447 3.8 61.3 1.0 S1 A:SF4502 3.9 59.7 1.0 CA A:ARG458 4.2 61.0 1.0 CD A:PRO364 4.5 61.6 1.0 C A:GLY446 4.6 61.9 1.0 CB A:ARG458 4.6 66.5 1.0 SG A:CYS455 4.7 66.1 1.0 N A:ALA459 4.7 60.0 1.0 SG A:CYS363 4.7 65.1 1.0 CB A:CYS450 4.8 65.3 1.0 N A:ARG458 4.8 61.0 1.0 SG A:CYS450 4.8 66.9 1.0 C A:CYS447 5.0 70.6 1.0

Iron binding site 2 out of 16 in the Mycobacterium Tuberculosis Transcriptional Regulator


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Mycobacterium Tuberculosis Transcriptional Regulator within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe502 b:58.2 occ:1.00 FE2 A:SF4502 0.0 58.2 1.0 SG A:CYS450 2.3 66.9 1.0 S1 A:SF4502 2.3 59.7 1.0 S4 A:SF4502 2.3 55.5 1.0 S3 A:SF4502 2.3 60.8 1.0 FE1 A:SF4502 2.7 56.1 1.0 FE3 A:SF4502 2.7 60.0 1.0 FE4 A:SF4502 2.7 61.5 1.0 CB A:CYS450 3.0 65.3 1.0 S2 A:SF4502 3.9 66.9 1.0 CA A:GLY444 4.2 60.9 1.0 N A:GLY444 4.4 61.3 1.0 CA A:CYS447 4.4 65.9 1.0 CA A:CYS450 4.5 67.2 1.0 NH2 A:ARG458 4.7 66.4 1.0 SG A:CYS447 4.7 65.9 1.0 SG A:CYS363 4.7 65.1 1.0 CD A:ARG452 4.7 67.2 1.0 N A:CYS447 4.8 61.3 1.0 CG A:ARG452 4.8 68.4 1.0 SG A:CYS455 4.8 66.1 1.0 CB A:ARG452 4.9 68.3 1.0 C A:GLY446 4.9 61.9 1.0 C A:ILE443 4.9 63.5 1.0

Iron binding site 3 out of 16 in the Mycobacterium Tuberculosis Transcriptional Regulator


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Mycobacterium Tuberculosis Transcriptional Regulator within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe502 b:60.0 occ:1.00 FE3 A:SF4502 0.0 60.0 1.0 SG A:CYS455 2.2 66.1 1.0 S2 A:SF4502 2.3 66.9 1.0 S1 A:SF4502 2.3 59.7 1.0 S4 A:SF4502 2.3 55.5 1.0 FE1 A:SF4502 2.7 56.1 1.0 FE4 A:SF4502 2.7 61.5 1.0 FE2 A:SF4502 2.7 58.2 1.0 CB A:CYS455 3.2 66.0 1.0 S3 A:SF4502 3.9 60.8 1.0 CD1 A:LEU365 4.1 65.8 1.0 N A:ARG458 4.3 61.0 1.0 CA A:ARG458 4.4 61.0 1.0 CA A:CYS455 4.6 65.0 1.0 CB A:ARG458 4.6 66.5 1.0 SG A:CYS450 4.7 66.9 1.0 SG A:CYS447 4.8 65.9 1.0 C A:GLN457 4.8 60.1 1.0 CB A:GLN457 4.8 59.9 1.0 SG A:CYS363 4.8 65.1 1.0 CG A:LEU365 5.0 64.7 1.0

Iron binding site 4 out of 16 in the Mycobacterium Tuberculosis Transcriptional Regulator


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Mycobacterium Tuberculosis Transcriptional Regulator within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe502 b:61.5 occ:1.00 FE4 A:SF4502 0.0 61.5 1.0 SG A:CYS363 2.3 65.1 1.0 S2 A:SF4502 2.3 66.9 1.0 S1 A:SF4502 2.3 59.7 1.0 S3 A:SF4502 2.3 60.8 1.0 FE1 A:SF4502 2.7 56.1 1.0 FE3 A:SF4502 2.7 60.0 1.0 FE2 A:SF4502 2.7 58.2 1.0 CB A:CYS363 3.4 63.5 1.0 N A:GLY444 3.7 61.3 1.0 S4 A:SF4502 3.9 55.5 1.0 CA A:CYS363 3.9 60.1 1.0 CD1 A:LEU365 4.2 65.8 1.0 CA A:GLY444 4.2 60.9 1.0 CD A:PRO364 4.3 61.6 1.0 C A:ILE443 4.4 63.5 1.0 CG A:LEU365 4.5 64.7 1.0 C A:CYS363 4.5 58.6 1.0 N A:PRO364 4.6 59.4 1.0 CA A:ILE443 4.6 59.8 1.0 SG A:CYS455 4.7 66.1 1.0 SG A:CYS450 4.8 66.9 1.0 SG A:CYS447 4.8 65.9 1.0 N A:LEU365 4.9 58.4 1.0 C A:GLY444 4.9 61.7 1.0 CB A:LEU365 4.9 62.4 1.0 CG A:PRO364 4.9 62.0 1.0

Iron binding site 5 out of 16 in the Mycobacterium Tuberculosis Transcriptional Regulator


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Mycobacterium Tuberculosis Transcriptional Regulator within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe502 b:57.4 occ:1.00 FE1 B:SF4502 0.0 57.4 1.0 SG B:CYS363 2.3 62.0 1.0 S2 B:SF4502 2.3 56.3 1.0 S3 B:SF4502 2.3 59.7 1.0 S4 B:SF4502 2.3 60.4 1.0 FE4 B:SF4502 2.7 55.4 1.0 FE3 B:SF4502 2.7 60.8 1.0 FE2 B:SF4502 2.7 59.3 1.0 CB B:CYS363 3.4 57.3 1.0 N B:GLY444 3.7 60.7 1.0 S1 B:SF4502 3.9 61.1 1.0 CA B:CYS363 3.9 57.1 1.0 CD1 B:LEU365 4.3 52.4 1.0 CA B:GLY444 4.3 58.6 1.0 CD B:PRO364 4.4 49.1 1.0 C B:ILE443 4.4 60.7 1.0 CG B:LEU365 4.5 61.1 1.0 C B:CYS363 4.5 52.4 1.0 CA B:ILE443 4.6 56.5 1.0 N B:PRO364 4.6 47.5 1.0 SG B:CYS447 4.8 59.5 1.0 SG B:CYS455 4.8 65.4 1.0 C B:GLY444 4.8 60.0 1.0 SG B:CYS450 4.8 66.8 1.0 O B:GLY444 4.9 63.5 1.0 N B:LEU365 4.9 55.5 1.0 CB B:LEU365 4.9 58.2 1.0

Iron binding site 6 out of 16 in the Mycobacterium Tuberculosis Transcriptional Regulator


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Mycobacterium Tuberculosis Transcriptional Regulator within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe502 b:59.3 occ:1.00 FE2 B:SF4502 0.0 59.3 1.0 SG B:CYS455 2.3 65.4 1.0 S1 B:SF4502 2.3 61.1 1.0 S4 B:SF4502 2.3 60.4 1.0 S3 B:SF4502 2.3 59.7 1.0 FE3 B:SF4502 2.7 60.8 1.0 FE4 B:SF4502 2.7 55.4 1.0 FE1 B:SF4502 2.7 57.4 1.0 CB B:CYS455 3.2 63.9 1.0 S2 B:SF4502 3.9 56.3 1.0 CD1 B:LEU365 4.1 52.4 1.0 N B:ARG458 4.2 65.9 1.0 CA B:ARG458 4.3 62.5 1.0 CB B:ARG458 4.6 62.5 1.0 C B:GLN457 4.7 67.2 1.0 CB B:GLN457 4.7 57.6 1.0 CA B:CYS455 4.7 63.6 1.0 SG B:CYS450 4.8 66.8 1.0 SG B:CYS447 4.8 59.5 1.0 SG B:CYS363 4.8 62.0 1.0 CG B:LEU365 4.9 61.1 1.0

Iron binding site 7 out of 16 in the Mycobacterium Tuberculosis Transcriptional Regulator


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of Mycobacterium Tuberculosis Transcriptional Regulator within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe502 b:60.8 occ:1.00 FE3 B:SF4502 0.0 60.8 1.0 SG B:CYS450 2.3 66.8 1.0 S1 B:SF4502 2.3 61.1 1.0 S4 B:SF4502 2.3 60.4 1.0 S2 B:SF4502 2.3 56.3 1.0 FE2 B:SF4502 2.7 59.3 1.0 FE4 B:SF4502 2.7 55.4 1.0 FE1 B:SF4502 2.7 57.4 1.0 CB B:CYS450 3.0 64.4 1.0 S3 B:SF4502 3.9 59.7 1.0 CA B:GLY444 4.2 58.6 1.0 N B:GLY444 4.3 60.7 1.0 CA B:CYS450 4.5 65.9 1.0 CG B:ARG452 4.6 64.2 1.0 CD B:ARG452 4.6 64.0 1.0 CA B:CYS447 4.7 62.0 1.0 NH2 B:ARG458 4.7 54.9 1.0 CB B:ARG452 4.7 64.2 1.0 SG B:CYS363 4.8 62.0 1.0 SG B:CYS447 4.8 59.5 1.0 SG B:CYS455 4.8 65.4 1.0 C B:ILE443 4.9 60.7 1.0 C B:CYS450 5.0 70.0 1.0

Iron binding site 8 out of 16 in the Mycobacterium Tuberculosis Transcriptional Regulator


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of Mycobacterium Tuberculosis Transcriptional Regulator within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe502 b:55.4 occ:1.00 FE4 B:SF4502 0.0 55.4 1.0 SG B:CYS447 2.3 59.5 1.0 S2 B:SF4502 2.3 56.3 1.0 S3 B:SF4502 2.3 59.7 1.0 S1 B:SF4502 2.3 61.1 1.0 FE1 B:SF4502 2.7 57.4 1.0 FE3 B:SF4502 2.7 60.8 1.0 FE2 B:SF4502 2.7 59.3 1.0 CB B:CYS447 3.4 61.4 1.0 CA B:CYS447 3.5 62.0 1.0 N B:CYS447 3.8 60.4 1.0 S4 B:SF4502 3.9 60.4 1.0 CA B:ARG458 4.2 62.5 1.0 C B:GLY446 4.6 62.8 1.0 CB B:CYS450 4.6 64.4 1.0 N B:ALA459 4.6 62.7 1.0 CD B:PRO364 4.6 49.1 1.0 SG B:CYS450 4.8 66.8 1.0 CB B:ARG458 4.8 62.5 1.0 SG B:CYS363 4.8 62.0 1.0 SG B:CYS455 4.8 65.4 1.0 N B:ARG458 4.9 65.9 1.0 C B:CYS447 4.9 65.5 1.0 CG B:ARG458 5.0 61.5 1.0 C B:ARG458 5.0 61.1 1.0

Iron binding site 9 out of 16 in the Mycobacterium Tuberculosis Transcriptional Regulator


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 9 of Mycobacterium Tuberculosis Transcriptional Regulator within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe502 b:58.9 occ:1.00 FE1 C:SF4502 0.0 58.9 1.0 SG C:CYS447 2.3 64.2 1.0 S2 C:SF4502 2.3 60.5 1.0 S4 C:SF4502 2.3 67.8 1.0 S3 C:SF4502 2.3 52.4 1.0 FE3 C:SF4502 2.7 60.5 1.0 FE4 C:SF4502 2.8 59.3 1.0 FE2 C:SF4502 2.8 68.4 1.0 CB C:CYS447 3.4 64.0 1.0 CA C:CYS447 3.6 66.6 1.0 N C:CYS447 3.9 68.1 1.0 S1 C:SF4502 3.9 61.2 1.0 CA C:ARG458 4.2 60.6 1.0 CD C:PRO364 4.5 56.2 1.0 N C:ALA459 4.6 58.6 1.0 C C:GLY446 4.7 72.1 1.0 CB C:CYS450 4.7 67.9 1.0 SG C:CYS363 4.7 60.5 1.0 SG C:CYS455 4.8 67.4 1.0 SG C:CYS450 4.8 71.1 1.0 CB C:ARG458 4.8 62.4 1.0 N C:ARG458 4.9 59.1 1.0 C C:CYS447 5.0 66.9 1.0

Iron binding site 10 out of 16 in the Mycobacterium Tuberculosis Transcriptional Regulator


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 10 of Mycobacterium Tuberculosis Transcriptional Regulator within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe502 b:68.4 occ:1.00 FE2 C:SF4502 0.0 68.4 1.0 SG C:CYS450 2.3 71.1 1.0 S1 C:SF4502 2.3 61.2 1.0 S4 C:SF4502 2.3 67.8 1.0 S3 C:SF4502 2.3 52.4 1.0 FE3 C:SF4502 2.7 60.5 1.0 FE4 C:SF4502 2.8 59.3 1.0 FE1 C:SF4502 2.8 58.9 1.0 CB C:CYS450 3.0 67.9 1.0 S2 C:SF4502 3.9 60.5 1.0 CA C:GLY444 4.2 61.1 1.0 N C:GLY444 4.4 63.5 1.0 CA C:CYS450 4.5 66.0 1.0 CA C:CYS447 4.6 66.6 1.0 CD C:ARG452 4.6 65.4 1.0 CG C:ARG452 4.6 65.3 1.0 NH2 C:ARG458 4.7 61.2 1.0 CB C:ARG452 4.7 64.7 1.0 SG C:CYS447 4.8 64.2 1.0 SG C:CYS363 4.8 60.5 1.0 SG C:CYS455 4.8 67.4 1.0 C C:ILE443 4.9 64.2 1.0 C C:CYS450 5.0 70.7 1.0 N C:CYS447 5.0 68.1 1.0

S.Tang, N.D.Hicks, Y.S.Cheng, A.Silva, S.M.Fortune, J.C.Sacchettini. Structural and Functional Insight Into the Mycobacterium Tuberculosis Protein Prpr Reveals A Novel Type of Transcription Factor. Nucleic Acids Res. V. 47 9934 2019.
ISSN: ESSN 1362-4962
PubMed: 31504787
DOI: 10.1093/NAR/GKZ724