Iron in PDB 6cyj: Mycobacterium Tuberculosis Transcriptional Regulator

The structure of Mycobacterium Tuberculosis Transcriptional Regulator, PDB code: 6cyj 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)	45.69 / 2.70
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	144.485, 144.485, 96.187, 90.00, 90.00, 90.00
R / Rfree (%)	18.5 / 21.8

The binding sites of Iron atom in the Mycobacterium Tuberculosis Transcriptional Regulator (pdb code 6cyj). 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: 6cyj:
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:Fe501 b:82.1 occ:1.00 FE1 A:SF4501 0.0 82.1 1.0 SG A:CYS455 2.3 92.1 1.0 S4 A:SF4501 2.3 73.0 1.0 S2 A:SF4501 2.3 78.0 1.0 S3 A:SF4501 2.3 76.0 1.0 FE3 A:SF4501 2.7 79.2 1.0 FE2 A:SF4501 2.7 76.3 1.0 FE4 A:SF4501 2.7 80.3 1.0 CB A:CYS455 3.3 89.8 1.0 S1 A:SF4501 3.9 73.0 1.0 N A:ARG458 4.3 87.6 1.0 CD1 A:LEU365 4.3 81.3 1.0 CG A:ARG458 4.4 0.2 1.0 CA A:ARG458 4.5 88.3 1.0 C A:GLN457 4.6 86.7 1.0 CB A:GLN457 4.7 85.8 1.0 CA A:CYS455 4.7 89.9 1.0 SG A:CYS450 4.7 99.6 1.0 SG A:CYS447 4.8 88.5 1.0 SG A:CYS363 4.9 80.1 1.0 CG A:LEU365 4.9 81.5 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:Fe501 b:76.3 occ:1.00 FE2 A:SF4501 0.0 76.3 1.0 SG A:CYS447 2.3 88.5 1.0 S3 A:SF4501 2.3 76.0 1.0 S1 A:SF4501 2.3 73.0 1.0 S4 A:SF4501 2.3 73.0 1.0 FE4 A:SF4501 2.7 80.3 1.0 FE1 A:SF4501 2.7 82.1 1.0 FE3 A:SF4501 2.7 79.2 1.0 CB A:CYS447 3.3 90.1 1.0 CA A:CYS447 3.5 90.6 1.0 S2 A:SF4501 3.9 78.0 1.0 N A:CYS447 3.9 89.9 1.0 CA A:ARG458 4.3 88.3 1.0 CD A:PRO364 4.5 77.6 1.0 C A:GLY446 4.6 80.4 1.0 SG A:CYS363 4.7 80.1 1.0 CB A:CYS450 4.7 93.3 1.0 SG A:CYS450 4.8 99.6 1.0 SG A:CYS455 4.8 92.1 1.0 N A:ARG458 4.8 87.6 1.0 N A:ALA459 4.8 88.2 1.0 O A:GLN457 4.9 98.0 1.0 C A:CYS447 4.9 98.0 1.0 CG A:ARG458 4.9 0.2 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:Fe501 b:79.2 occ:1.00 FE3 A:SF4501 0.0 79.2 1.0 SG A:CYS450 2.3 99.6 1.0 S2 A:SF4501 2.3 78.0 1.0 S4 A:SF4501 2.3 73.0 1.0 S1 A:SF4501 2.3 73.0 1.0 FE1 A:SF4501 2.7 82.1 1.0 FE2 A:SF4501 2.7 76.3 1.0 FE4 A:SF4501 2.7 80.3 1.0 CB A:CYS450 3.0 93.3 1.0 S3 A:SF4501 3.9 76.0 1.0 CA A:GLY444 4.0 81.8 1.0 N A:GLY444 4.2 79.6 1.0 CA A:CYS450 4.5 96.7 1.0 CD A:ARG452 4.5 92.6 1.0 NH1 A:ARG458 4.5 93.1 1.0 CA A:CYS447 4.6 90.6 1.0 SG A:CYS363 4.7 80.1 1.0 CG A:ARG452 4.8 94.0 1.0 SG A:CYS455 4.8 92.1 1.0 CB A:ARG452 4.8 93.9 1.0 SG A:CYS447 4.8 88.5 1.0 C A:ILE443 4.9 80.1 1.0 C A:GLY444 4.9 90.3 1.0 C A:CYS450 5.0 95.5 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:Fe501 b:80.3 occ:1.00 FE4 A:SF4501 0.0 80.3 1.0 SG A:CYS363 2.3 80.1 1.0 S1 A:SF4501 2.3 73.0 1.0 S3 A:SF4501 2.3 76.0 1.0 S2 A:SF4501 2.3 78.0 1.0 FE2 A:SF4501 2.7 76.3 1.0 FE1 A:SF4501 2.7 82.1 1.0 FE3 A:SF4501 2.7 79.2 1.0 CB A:CYS363 3.3 76.3 1.0 N A:GLY444 3.7 79.6 1.0 S4 A:SF4501 3.9 73.0 1.0 CA A:CYS363 3.9 75.8 1.0 CA A:GLY444 4.1 81.8 1.0 CD A:PRO364 4.2 77.6 1.0 CD1 A:LEU365 4.4 81.3 1.0 CG A:LEU365 4.4 81.5 1.0 C A:ILE443 4.5 80.1 1.0 C A:CYS363 4.5 74.4 1.0 N A:PRO364 4.6 75.8 1.0 CA A:ILE443 4.7 80.2 1.0 SG A:CYS455 4.7 92.1 1.0 CB A:LEU365 4.7 80.6 1.0 C A:GLY444 4.8 90.3 1.0 SG A:CYS447 4.8 88.5 1.0 N A:LEU365 4.8 76.3 1.0 SG A:CYS450 4.8 99.6 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:Fe501 b:80.9 occ:1.00 FE1 B:SF4501 0.0 80.9 1.0 SG B:CYS363 2.3 75.0 1.0 S2 B:SF4501 2.3 99.2 1.0 S4 B:SF4501 2.3 72.3 1.0 S3 B:SF4501 2.3 73.3 1.0 FE3 B:SF4501 2.7 78.3 1.0 FE4 B:SF4501 2.7 78.8 1.0 FE2 B:SF4501 2.7 84.6 1.0 CB B:CYS363 3.4 79.2 1.0 N B:GLY444 3.6 77.9 1.0 S1 B:SF4501 3.9 78.6 1.0 CA B:CYS363 4.0 73.3 1.0 CA B:GLY444 4.1 78.8 1.0 CD B:PRO364 4.3 73.3 1.0 CD1 B:LEU365 4.4 77.2 1.0 C B:ILE443 4.4 78.0 1.0 CG B:LEU365 4.4 75.2 1.0 C B:CYS363 4.6 75.6 1.0 CA B:ILE443 4.6 77.1 1.0 N B:PRO364 4.6 71.9 1.0 CB B:LEU365 4.7 81.5 1.0 C B:GLY444 4.8 87.6 1.0 SG B:CYS447 4.8 89.4 1.0 SG B:CYS450 4.8 93.2 1.0 N B:LEU365 4.8 78.9 1.0 SG B:CYS455 4.8 89.7 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:Fe501 b:84.6 occ:1.00 FE2 B:SF4501 0.0 84.6 1.0 SG B:CYS450 2.3 93.2 1.0 S1 B:SF4501 2.3 78.6 1.0 S3 B:SF4501 2.3 73.3 1.0 S4 B:SF4501 2.3 72.3 1.0 FE4 B:SF4501 2.7 78.8 1.0 FE3 B:SF4501 2.7 78.3 1.0 FE1 B:SF4501 2.7 80.9 1.0 CB B:CYS450 3.0 93.3 1.0 S2 B:SF4501 3.9 99.2 1.0 CA B:GLY444 4.1 78.8 1.0 N B:GLY444 4.3 77.9 1.0 CA B:CYS450 4.5 95.1 1.0 NH1 B:ARG458 4.6 93.9 1.0 CD B:ARG452 4.7 94.0 1.0 CA B:CYS447 4.7 91.5 1.0 SG B:CYS447 4.7 89.4 1.0 SG B:CYS363 4.7 75.0 1.0 SG B:CYS455 4.8 89.7 1.0 CG B:ARG452 4.9 95.2 1.0 C B:ILE443 4.9 78.0 1.0 CB B:ARG452 4.9 95.1 1.0 C B:CYS450 5.0 99.1 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:Fe501 b:78.3 occ:1.00 FE3 B:SF4501 0.0 78.3 1.0 S4 B:SF4501 2.3 72.3 1.0 S2 B:SF4501 2.3 99.2 1.0 S1 B:SF4501 2.3 78.6 1.0 SG B:CYS447 2.3 89.4 1.0 FE1 B:SF4501 2.7 80.9 1.0 FE4 B:SF4501 2.7 78.8 1.0 FE2 B:SF4501 2.7 84.6 1.0 CB B:CYS447 3.5 90.9 1.0 CA B:CYS447 3.7 91.5 1.0 S3 B:SF4501 3.9 73.3 1.0 N B:CYS447 4.1 90.8 1.0 CA B:ARG458 4.3 89.5 1.0 CD B:PRO364 4.5 73.3 1.0 SG B:CYS363 4.7 75.0 1.0 SG B:CYS455 4.7 89.7 1.0 C B:GLY446 4.7 87.3 1.0 CB B:CYS450 4.8 93.3 1.0 N B:ARG458 4.8 88.8 1.0 SG B:CYS450 4.8 93.2 1.0 O B:GLN457 4.8 0.1 1.0 N B:ALA459 4.9 96.3 1.0 CG B:ARG458 4.9 96.8 1.0 C B:GLN457 5.0 88.0 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:Fe501 b:78.8 occ:1.00 FE4 B:SF4501 0.0 78.8 1.0 SG B:CYS455 2.3 89.7 1.0 S3 B:SF4501 2.3 73.3 1.0 S1 B:SF4501 2.3 78.6 1.0 S2 B:SF4501 2.3 99.2 1.0 FE3 B:SF4501 2.7 78.3 1.0 FE2 B:SF4501 2.7 84.6 1.0 FE1 B:SF4501 2.7 80.9 1.0 CB B:CYS455 3.4 91.1 1.0 S4 B:SF4501 3.9 72.3 1.0 CD1 B:LEU365 4.1 77.2 1.0 N B:ARG458 4.4 88.8 1.0 CG B:ARG458 4.5 96.8 1.0 CB B:GLN457 4.7 91.7 1.0 C B:GLN457 4.7 88.0 1.0 CA B:ARG458 4.7 89.5 1.0 SG B:CYS450 4.8 93.2 1.0 CA B:CYS455 4.8 91.3 1.0 CG B:LEU365 4.8 75.2 1.0 SG B:CYS447 4.8 89.4 1.0 SG B:CYS363 4.9 75.0 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