Zinc in PDB 7u22: Mycobacterium Tuberculosis Rna Polymerase Sigma A Holoenzyme Open Promoter Complex Containing Umn-7

All present enzymatic activity of Mycobacterium Tuberculosis Rna Polymerase Sigma A Holoenzyme Open Promoter Complex Containing Umn-7:
2.7.7.6;

The structure of Mycobacterium Tuberculosis Rna Polymerase Sigma A Holoenzyme Open Promoter Complex Containing Umn-7, PDB code: 7u22 was solved by V.Molodtsov, R.H.Ebright, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.30 / 3.87
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	149.482, 161.445, 196.603, 90, 90, 90
R / Rfree (%)	24 / 27.8

The structure of Mycobacterium Tuberculosis Rna Polymerase Sigma A Holoenzyme Open Promoter Complex Containing Umn-7 also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

The binding sites of Zinc atom in the Mycobacterium Tuberculosis Rna Polymerase Sigma A Holoenzyme Open Promoter Complex Containing Umn-7 (pdb code 7u22). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Mycobacterium Tuberculosis Rna Polymerase Sigma A Holoenzyme Open Promoter Complex Containing Umn-7, PDB code: 7u22:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Mycobacterium Tuberculosis Rna Polymerase Sigma A Holoenzyme Open Promoter Complex Containing Umn-7


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Mycobacterium Tuberculosis Rna Polymerase Sigma A Holoenzyme Open Promoter Complex Containing Umn-7 within 5.0Å range: probe atom residue distance (Å) B Occ D:Zn1401 b:168.8 occ:0.00 CB D:CYS968 2.5 112.6 1.0 SG D:CYS968 2.5 149.9 1.0 CB D:CYS891 2.6 170.4 1.0 SG D:CYS978 2.7 188.6 1.0 SG D:CYS891 2.7 183.0 1.0 CB D:CYS975 2.7 157.0 1.0 SG D:CYS975 2.7 186.4 1.0 N D:CYS891 3.6 198.2 1.0 CA D:CYS968 3.6 179.7 1.0 CA D:CYS891 3.6 198.9 1.0 CB D:CYS978 3.7 159.5 1.0 N D:CYS975 3.9 171.0 1.0 CA D:CYS975 3.9 148.1 1.0 C D:CYS968 4.0 152.0 1.0 OG1 D:THR970 4.0 197.8 1.0 N D:ALA969 4.3 154.7 1.0 O D:CYS968 4.5 147.4 1.0 C D:ASP890 4.7 203.4 1.0 NH2 D:ARG963 4.7 210.4 1.0 C D:CYS975 4.8 146.1 1.0 N D:CYS968 4.9 179.0 1.0 C D:CYS891 4.9 202.8 1.0 N D:CYS978 4.9 171.7 1.0 CA D:CYS978 5.0 168.1 1.0

Zinc binding site 2 out of 2 in the Mycobacterium Tuberculosis Rna Polymerase Sigma A Holoenzyme Open Promoter Complex Containing Umn-7


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Mycobacterium Tuberculosis Rna Polymerase Sigma A Holoenzyme Open Promoter Complex Containing Umn-7 within 5.0Å range: probe atom residue distance (Å) B Occ D:Zn1402 b:154.2 occ:0.00 SG D:CYS75 2.0 134.2 1.0 SG D:CYS60 2.2 129.4 1.0 SG D:CYS62 2.6 142.4 1.0 SG D:CYS78 2.7 140.8 1.0 CB D:CYS75 3.1 157.8 1.0 CB D:CYS62 3.7 151.7 1.0 N D:CYS62 3.8 162.9 1.0 CB D:LYS64 3.8 185.7 1.0 CB D:CYS60 3.8 185.4 1.0 N D:LYS64 4.2 164.6 1.0 CA D:CYS62 4.2 147.9 1.0 CB D:ARG77 4.3 171.8 1.0 CB D:CYS78 4.4 181.2 1.0 N D:CYS78 4.4 163.5 1.0 N D:GLY63 4.4 164.3 1.0 CD1 D:TYR65 4.5 152.9 1.0 C D:CYS62 4.5 159.3 1.0 CA D:CYS75 4.5 168.3 1.0 N D:TYR61 4.6 153.0 1.0 CA D:LYS64 4.6 163.4 1.0 N D:ARG77 4.7 169.6 1.0 C D:ARG77 4.8 166.2 1.0 C D:CYS60 4.9 158.3 1.0 CA D:ARG77 4.9 171.8 1.0 C D:TYR61 4.9 166.3 1.0 C D:CYS75 4.9 150.7 1.0 CE1 D:TYR65 4.9 157.0 1.0 CD D:LYS64 4.9 166.8 1.0 CA D:CYS60 5.0 150.7 1.0 CA D:CYS78 5.0 173.5 1.0 N D:TYR65 5.0 157.2 1.0 CG D:LYS64 5.0 167.3 1.0

T.Lan, U.S.Ganapathy, S.Sharma, Y.M.Ahn, M.Zimmerman, V.Molodtsov, P.Hegde, M.Gengenbacher, R.H.Ebright, V.Dartois, J.S.Freundlich, T.Dick, C.C.Aldrich. Redesign of Rifamycin Antibiotics to Overcome Adp-Ribosylation-Mediated Resistance. Angew.Chem.Int.Ed.Engl. V. 61 11498 2022.
ISSN: ESSN 1521-3773
PubMed: 36222275
DOI: 10.1002/ANIE.202211498