Zinc in PDB 5uhb: Crystal Structure of Mycobacterium Tuberculosis Transcription Initiation Complex in Complex with Rifampin

All present enzymatic activity of Crystal Structure of Mycobacterium Tuberculosis Transcription Initiation Complex in Complex with Rifampin:
2.7.7.6;

The structure of Crystal Structure of Mycobacterium Tuberculosis Transcription Initiation Complex in Complex with Rifampin, PDB code: 5uhb was solved by W.Lin, K.Das, Y.Feng, R.H.Ebright, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.78 / 4.29
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	154.190, 164.234, 200.203, 90.00, 90.00, 90.00
R / Rfree (%)	20.8 / 26.7

The structure of Crystal Structure of Mycobacterium Tuberculosis Transcription Initiation Complex in Complex with Rifampin also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

The binding sites of Zinc atom in the Crystal Structure of Mycobacterium Tuberculosis Transcription Initiation Complex in Complex with Rifampin (pdb code 5uhb). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Crystal Structure of Mycobacterium Tuberculosis Transcription Initiation Complex in Complex with Rifampin, PDB code: 5uhb:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Crystal Structure of Mycobacterium Tuberculosis Transcription Initiation Complex in Complex with Rifampin


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure of Mycobacterium Tuberculosis Transcription Initiation Complex in Complex with Rifampin within 5.0Å range: probe atom residue distance (Å) B Occ D:Zn1401 b:33.8 occ:1.00 CB D:CYS968 2.6 37.9 1.0 CB D:CYS975 2.6 40.2 1.0 CB D:CYS891 2.6 48.6 1.0 SG D:CYS968 2.7 40.5 1.0 SG D:CYS975 2.7 38.9 1.0 SG D:CYS891 2.7 40.0 1.0 SG D:CYS978 2.7 66.4 1.0 N D:CYS891 3.5 49.9 1.0 CA D:CYS891 3.6 50.4 1.0 CA D:CYS968 3.7 38.1 1.0 CB D:CYS978 3.8 41.9 1.0 N D:CYS975 3.8 35.7 1.0 CA D:CYS975 3.8 38.0 1.0 OG1 D:THR970 3.9 42.2 1.0 C D:CYS968 4.1 30.2 1.0 N D:ALA969 4.4 31.9 1.0 O D:CYS968 4.6 27.4 1.0 C D:ASP890 4.6 46.9 1.0 C D:CYS975 4.7 33.5 1.0 NH2 D:ARG963 4.8 48.3 1.0 C D:CYS891 4.9 47.7 1.0 N D:CYS978 4.9 47.0 1.0 N D:CYS968 5.0 42.9 1.0 C D:VAL974 5.0 30.0 1.0

Zinc binding site 2 out of 2 in the Crystal Structure of Mycobacterium Tuberculosis Transcription Initiation Complex in Complex with Rifampin


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Crystal Structure of Mycobacterium Tuberculosis Transcription Initiation Complex in Complex with Rifampin within 5.0Å range: probe atom residue distance (Å) B Occ D:Zn1402 b:28.8 occ:1.00 SG D:CYS62 2.3 53.1 1.0 SG D:CYS60 2.3 34.3 1.0 SG D:CYS75 2.3 48.3 1.0 SG D:CYS78 2.5 63.5 1.0 CB D:CYS62 3.4 50.6 1.0 CB D:CYS75 3.5 44.7 1.0 N D:CYS62 3.5 49.3 1.0 CA D:CYS62 3.8 53.5 1.0 CB D:LYS64 3.9 55.2 1.0 CB D:CYS60 3.9 44.0 1.0 N D:LYS64 4.1 55.9 1.0 N D:GLY63 4.2 60.2 1.0 CB D:CYS78 4.2 55.4 1.0 C D:CYS62 4.2 64.9 1.0 CB D:ARG77 4.3 57.0 1.0 N D:CYS78 4.4 57.0 1.0 N D:TYR61 4.4 38.8 1.0 C D:TYR61 4.6 49.4 1.0 CA D:LYS64 4.7 55.0 1.0 C D:ARG77 4.8 54.6 1.0 C D:CYS60 4.8 38.0 1.0 CD2 D:TYR65 4.8 45.9 1.0 N D:ARG77 4.9 49.1 1.0 CA D:ARG77 4.9 51.4 1.0 CA D:CYS75 4.9 47.9 1.0 CA D:CYS78 4.9 55.8 1.0 CA D:TYR61 5.0 44.9 1.0 CA D:CYS60 5.0 38.1 1.0

W.Lin, S.Mandal, D.Degen, Y.Liu, Y.W.Ebright, S.Li, Y.Feng, Y.Zhang, S.Mandal, Y.Jiang, S.Liu, M.Gigliotti, M.Talaue, N.Connell, K.Das, E.Arnold, R.H.Ebright. Structural Basis of Mycobacterium Tuberculosis Transcription and Transcription Inhibition. Mol. Cell V. 66 169 2017.
ISSN: ISSN 1097-4164
PubMed: 28392175
DOI: 10.1016/J.MOLCEL.2017.03.001