Zinc in PDB 5uhf: Crystal Structure of Mycobacterium Tuberculosis Transcription Initiation Complex in Complex with D-IX336

All present enzymatic activity of Crystal Structure of Mycobacterium Tuberculosis Transcription Initiation Complex in Complex with D-IX336:
2.7.7.6;

The structure of Crystal Structure of Mycobacterium Tuberculosis Transcription Initiation Complex in Complex with D-IX336, PDB code: 5uhf 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)	48.50 / 4.35
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	152.374, 163.460, 197.384, 90.00, 90.00, 90.00
R / Rfree (%)	19.8 / 26.7

The structure of Crystal Structure of Mycobacterium Tuberculosis Transcription Initiation Complex in Complex with D-IX336 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 D-IX336 (pdb code 5uhf). 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 D-IX336, PDB code: 5uhf:
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 D-IX336


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 D-IX336 within 5.0Å range: probe atom residue distance (Å) B Occ D:Zn1401 b:21.1 occ:1.00 SG D:CYS891 2.1 40.5 1.0 SG D:CYS975 2.2 33.9 1.0 SG D:CYS968 2.2 39.2 1.0 SG D:CYS978 2.3 83.0 1.0 CB D:CYS968 2.4 40.5 1.0 CB D:CYS975 3.1 39.1 1.0 CB D:CYS891 3.2 41.1 1.0 CB D:CYS978 3.5 49.5 1.0 CA D:CYS968 3.7 41.4 1.0 N D:CYS975 3.8 36.7 1.0 CA D:CYS975 3.9 36.1 1.0 C D:CYS968 4.0 39.4 1.0 N D:CYS891 4.1 45.9 1.0 NH2 D:ARG963 4.2 46.4 1.0 N D:CYS978 4.3 44.6 1.0 CA D:CYS891 4.3 43.0 1.0 O D:CYS968 4.3 37.3 1.0 C D:CYS975 4.5 37.0 1.0 OG1 D:THR970 4.5 42.1 1.0 CA D:CYS978 4.5 46.6 1.0 N D:ALA969 4.6 42.9 1.0 O D:CYS975 4.7 37.0 1.0 NE D:ARG963 4.8 54.1 1.0 N D:CYS968 4.8 47.3 1.0 CZ D:ARG963 5.0 51.0 1.0 C D:VAL974 5.0 36.3 1.0

Zinc binding site 2 out of 2 in the Crystal Structure of Mycobacterium Tuberculosis Transcription Initiation Complex in Complex with D-IX336


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 D-IX336 within 5.0Å range: probe atom residue distance (Å) B Occ D:Zn1402 b:35.6 occ:1.00 SG D:CYS60 2.1 28.3 1.0 SG D:CYS78 2.2 35.2 1.0 SG D:CYS62 2.2 31.1 1.0 SG D:CYS75 2.3 25.9 1.0 CB D:CYS75 3.0 27.9 1.0 CB D:CYS62 3.4 37.0 1.0 N D:CYS62 3.5 39.1 1.0 CB D:CYS78 3.7 35.9 1.0 CB D:CYS60 3.9 29.7 1.0 CA D:CYS62 4.0 40.7 1.0 N D:CYS78 4.1 37.0 1.0 N D:TYR61 4.2 32.1 1.0 CB D:LYS64 4.3 35.1 1.0 CA D:CYS78 4.4 34.8 1.0 N D:GLY63 4.5 38.5 1.0 CA D:CYS75 4.5 31.6 1.0 C D:CYS62 4.5 38.8 1.0 C D:ARG77 4.5 35.9 1.0 N D:LYS64 4.5 31.1 1.0 C D:TYR61 4.6 37.5 1.0 CB D:ARG77 4.7 36.1 1.0 CD2 D:TYR65 4.7 36.3 1.0 C D:CYS60 4.7 31.3 1.0 N D:ARG77 4.7 35.1 1.0 CA D:TYR61 4.8 35.1 1.0 N D:GLY79 4.8 30.2 1.0 CA D:ARG77 4.9 36.3 1.0 CA D:CYS60 4.9 29.7 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