Iron in PDB 6cyy: Mycobacterium Tuberculosis Transcriptional Regulator

The structure of Mycobacterium Tuberculosis Transcriptional Regulator, PDB code: 6cyy 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)	46.10 / 2.51
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	144.871, 144.871, 97.265, 90.00, 90.00, 90.00
R / Rfree (%)	18.4 / 21.4

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

Iron binding site 1 out of 8 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:67.7 occ:1.00 FE1 A:SF4502 0.0 67.7 1.0 SG A:CYS447 2.3 73.3 1.0 S2 A:SF4502 2.3 70.4 1.0 S4 A:SF4502 2.3 68.3 1.0 S3 A:SF4502 2.3 65.1 1.0 FE3 A:SF4502 2.7 72.6 1.0 FE4 A:SF4502 2.7 67.9 1.0 FE2 A:SF4502 2.8 74.2 1.0 CB A:CYS447 3.4 77.1 1.0 CA A:CYS447 3.4 76.4 1.0 N A:CYS447 3.8 71.5 1.0 S1 A:SF4502 3.9 68.2 1.0 CA A:ARG458 4.2 73.5 1.0 C A:GLY446 4.5 75.0 1.0 CD A:PRO364 4.6 66.1 1.0 CB A:CYS450 4.7 85.1 1.0 N A:ALA459 4.7 71.9 1.0 SG A:CYS363 4.7 65.6 1.0 SG A:CYS455 4.8 74.9 1.0 C A:CYS447 4.8 81.5 1.0 CB A:ARG458 4.8 75.6 1.0 SG A:CYS450 4.8 81.9 1.0 N A:ARG458 4.9 73.8 1.0 O A:GLY446 4.9 87.1 1.0

Iron binding site 2 out of 8 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:74.2 occ:1.00 FE2 A:SF4502 0.0 74.2 1.0 SG A:CYS450 2.3 81.9 1.0 S1 A:SF4502 2.3 68.2 1.0 S4 A:SF4502 2.3 68.3 1.0 S3 A:SF4502 2.3 65.1 1.0 FE3 A:SF4502 2.7 72.6 1.0 FE1 A:SF4502 2.8 67.7 1.0 FE4 A:SF4502 2.8 67.9 1.0 CB A:CYS450 3.0 85.1 1.0 S2 A:SF4502 3.9 70.4 1.0 CA A:GLY444 4.0 81.1 1.0 N A:GLY444 4.1 80.7 1.0 CA A:CYS450 4.5 89.2 1.0 CD A:ARG452 4.5 79.6 1.0 NH2 A:ARG458 4.6 79.3 1.0 CA A:CYS447 4.6 76.4 1.0 SG A:CYS363 4.7 65.6 1.0 CG A:ARG452 4.7 83.0 1.0 CB A:ARG452 4.8 83.3 1.0 SG A:CYS455 4.8 74.9 1.0 C A:ILE443 4.8 80.8 1.0 SG A:CYS447 4.8 73.3 1.0 O A:GLY446 4.9 87.1 1.0 C A:GLY444 4.9 76.9 1.0 C A:CYS450 5.0 92.6 1.0

Iron binding site 3 out of 8 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:72.6 occ:1.00 FE3 A:SF4502 0.0 72.6 1.0 SG A:CYS455 2.2 74.9 1.0 S1 A:SF4502 2.3 68.2 1.0 S4 A:SF4502 2.3 68.3 1.0 S2 A:SF4502 2.3 70.4 1.0 FE1 A:SF4502 2.7 67.7 1.0 FE2 A:SF4502 2.7 74.2 1.0 FE4 A:SF4502 2.8 67.9 1.0 CB A:CYS455 3.2 77.3 1.0 S3 A:SF4502 3.9 65.1 1.0 N A:ARG458 4.2 73.8 1.0 CA A:ARG458 4.3 73.5 1.0 CD1 A:LEU365 4.3 70.4 1.0 CB A:ARG458 4.6 75.6 1.0 CA A:CYS455 4.6 79.5 1.0 CB A:GLN457 4.7 75.2 1.0 SG A:CYS447 4.7 73.3 1.0 C A:GLN457 4.7 75.5 1.0 SG A:CYS450 4.8 81.9 1.0 SG A:CYS363 4.9 65.6 1.0

Iron binding site 4 out of 8 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:67.9 occ:1.00 FE4 A:SF4502 0.0 67.9 1.0 SG A:CYS363 2.3 65.6 1.0 S3 A:SF4502 2.3 65.1 1.0 S2 A:SF4502 2.3 70.4 1.0 S1 A:SF4502 2.3 68.2 1.0 FE1 A:SF4502 2.7 67.7 1.0 FE3 A:SF4502 2.8 72.6 1.0 FE2 A:SF4502 2.8 74.2 1.0 CB A:CYS363 3.3 64.2 1.0 N A:GLY444 3.7 80.7 1.0 S4 A:SF4502 3.9 68.3 1.0 CA A:CYS363 4.0 64.9 1.0 CD A:PRO364 4.2 66.1 1.0 CA A:GLY444 4.2 81.1 1.0 CD1 A:LEU365 4.4 70.4 1.0 C A:ILE443 4.5 80.8 1.0 CG A:LEU365 4.5 76.3 1.0 C A:CYS363 4.5 67.0 1.0 N A:PRO364 4.6 65.7 1.0 CA A:ILE443 4.6 73.9 1.0 SG A:CYS455 4.7 74.9 1.0 SG A:CYS447 4.8 73.3 1.0 SG A:CYS450 4.8 81.9 1.0 C A:GLY444 4.8 76.9 1.0 N A:LEU365 4.9 67.8 1.0 CB A:LEU365 5.0 65.5 1.0

Iron binding site 5 out of 8 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:72.9 occ:1.00 FE1 B:SF4502 0.0 72.9 1.0 SG B:CYS450 2.3 83.3 1.0 S2 B:SF4502 2.3 68.7 1.0 S3 B:SF4502 2.3 78.6 1.0 S4 B:SF4502 2.3 67.1 1.0 FE4 B:SF4502 2.7 71.9 1.0 FE3 B:SF4502 2.8 69.2 1.0 FE2 B:SF4502 2.8 75.7 1.0 CB B:CYS450 3.0 79.6 1.0 S1 B:SF4502 3.9 69.5 1.0 CA B:GLY444 4.0 75.4 1.0 N B:GLY444 4.2 74.6 1.0 CG B:ARG452 4.3 79.8 1.0 CD B:ARG452 4.4 78.0 1.0 CA B:CYS450 4.5 79.4 1.0 CA B:CYS447 4.7 77.2 1.0 NH2 B:ARG458 4.7 69.2 1.0 SG B:CYS363 4.8 68.8 1.0 CB B:ARG452 4.8 79.5 1.0 SG B:CYS455 4.8 82.3 1.0 C B:ILE443 4.8 76.2 1.0 SG B:CYS447 4.8 75.1 1.0 O B:GLY446 4.9 74.8 1.0 C B:GLY444 5.0 76.5 1.0

Iron binding site 6 out of 8 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:75.7 occ:1.00 FE2 B:SF4502 0.0 75.7 1.0 SG B:CYS447 2.3 75.1 1.0 S4 B:SF4502 2.3 67.1 1.0 S1 B:SF4502 2.3 69.5 1.0 S3 B:SF4502 2.3 78.6 1.0 FE3 B:SF4502 2.7 69.2 1.0 FE4 B:SF4502 2.8 71.9 1.0 FE1 B:SF4502 2.8 72.9 1.0 CB B:CYS447 3.4 74.0 1.0 CA B:CYS447 3.5 77.2 1.0 N B:CYS447 3.9 71.4 1.0 S2 B:SF4502 3.9 68.7 1.0 CA B:ARG458 4.3 80.4 1.0 C B:GLY446 4.5 74.1 1.0 CD B:PRO364 4.6 66.3 1.0 CB B:CYS450 4.6 79.6 1.0 N B:ALA459 4.7 68.7 1.0 SG B:CYS450 4.8 83.3 1.0 SG B:CYS363 4.8 68.8 1.0 SG B:CYS455 4.8 82.3 1.0 CG B:ARG458 4.8 67.7 1.0 CB B:ARG458 4.8 67.5 1.0 C B:CYS447 4.9 86.1 1.0 N B:ARG458 4.9 78.7 1.0 O B:GLY446 5.0 74.8 1.0

Iron binding site 7 out of 8 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:69.2 occ:1.00 FE3 B:SF4502 0.0 69.2 1.0 SG B:CYS363 2.3 68.8 1.0 S1 B:SF4502 2.3 69.5 1.0 S4 B:SF4502 2.3 67.1 1.0 S2 B:SF4502 2.3 68.7 1.0 FE2 B:SF4502 2.7 75.7 1.0 FE1 B:SF4502 2.8 72.9 1.0 FE4 B:SF4502 2.8 71.9 1.0 CB B:CYS363 3.4 62.7 1.0 N B:GLY444 3.6 74.6 1.0 S3 B:SF4502 3.9 78.6 1.0 CA B:CYS363 4.0 64.5 1.0 CD B:PRO364 4.1 66.3 1.0 CA B:GLY444 4.2 75.4 1.0 CD1 B:LEU365 4.4 65.8 1.0 C B:ILE443 4.4 76.2 1.0 C B:CYS363 4.6 66.9 1.0 CA B:ILE443 4.6 76.2 1.0 N B:PRO364 4.6 64.4 1.0 CG B:LEU365 4.7 70.3 1.0 SG B:CYS455 4.7 82.3 1.0 SG B:CYS447 4.8 75.1 1.0 C B:GLY444 4.8 76.5 1.0 SG B:CYS450 4.8 83.3 1.0 N B:LEU365 4.9 66.5 1.0 CB B:LEU365 5.0 68.2 1.0

Iron binding site 8 out of 8 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:71.9 occ:1.00 FE4 B:SF4502 0.0 71.9 1.0 SG B:CYS455 2.3 82.3 1.0 S3 B:SF4502 2.3 78.6 1.0 S2 B:SF4502 2.3 68.7 1.0 S1 B:SF4502 2.3 69.5 1.0 FE1 B:SF4502 2.7 72.9 1.0 FE2 B:SF4502 2.8 75.7 1.0 FE3 B:SF4502 2.8 69.2 1.0 CB B:CYS455 3.2 85.3 1.0 S4 B:SF4502 3.9 67.1 1.0 CD1 B:LEU365 4.3 65.8 1.0 N B:ARG458 4.3 78.7 1.0 CA B:ARG458 4.4 80.4 1.0 CA B:CYS455 4.6 69.3 1.0 CB B:GLN457 4.7 76.7 1.0 CB B:ARG458 4.7 67.5 1.0 SG B:CYS447 4.8 75.1 1.0 C B:GLN457 4.8 80.2 1.0 SG B:CYS450 4.8 83.3 1.0 SG B:CYS363 4.9 68.8 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