Zinc in PDB 5ual: Escherichia Coli Rna Polymerase and Rifampin Complex, Rpob S531L Mutant

All present enzymatic activity of Escherichia Coli Rna Polymerase and Rifampin Complex, Rpob S531L Mutant:
2.7.7.6;

The structure of Escherichia Coli Rna Polymerase and Rifampin Complex, Rpob S531L Mutant, PDB code: 5ual was solved by V.Molodtsov, N.T.Scharf, M.A.Stefan, G.A.Garcia, K.S.Murakami, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.94 / 3.89
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	187.372, 205.950, 309.692, 90.00, 90.00, 90.00
R / Rfree (%)	23 / 28.6

The structure of Escherichia Coli Rna Polymerase and Rifampin Complex, Rpob S531L Mutant also contains other interesting chemical elements:

Magnesium

(Mg)

2 atoms

The binding sites of Zinc atom in the Escherichia Coli Rna Polymerase and Rifampin Complex, Rpob S531L Mutant (pdb code 5ual). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 4 binding sites of Zinc where determined in the Escherichia Coli Rna Polymerase and Rifampin Complex, Rpob S531L Mutant, PDB code: 5ual:
Jump to Zinc binding site number: 1; 2; 3; 4;

Zinc binding site 1 out of 4 in the Escherichia Coli Rna Polymerase and Rifampin Complex, Rpob S531L Mutant


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Escherichia Coli Rna Polymerase and Rifampin Complex, Rpob S531L Mutant within 5.0Å range: probe atom residue distance (Å) B Occ D:Zn1502 b:0.3 occ:1.00 SG D:CYS70 2.1 0.5 1.0 SG D:CYS85 2.1 0.8 1.0 SG D:CYS72 2.2 0.0 1.0 CB D:CYS85 2.9 0.4 1.0 CB D:CYS72 3.1 0.5 1.0 SG D:CYS88 3.3 0.9 1.0 O D:CYS88 3.5 0.3 1.0 N D:CYS72 3.6 0.1 1.0 CB D:CYS70 3.8 0.4 1.0 CA D:CYS72 3.9 0.0 1.0 N D:CYS88 4.1 0.9 1.0 CA D:CYS85 4.4 0.6 1.0 N D:LEU71 4.4 0.3 1.0 N D:GLY73 4.5 0.9 1.0 C D:CYS88 4.5 0.6 1.0 CB D:LYS87 4.5 0.6 1.0 CB D:LYS74 4.6 0.2 1.0 C D:CYS72 4.6 0.9 1.0 CB D:CYS88 4.7 0.3 1.0 N D:LYS74 4.7 0.4 1.0 CA D:CYS88 4.7 0.1 1.0 C D:LEU71 4.8 0.2 1.0 CA D:CYS70 4.8 0.7 1.0 C D:CYS70 4.8 0.3 1.0 C D:CYS85 4.9 0.0 1.0 N D:LYS87 5.0 0.7 1.0

Zinc binding site 2 out of 4 in the Escherichia Coli Rna Polymerase and Rifampin Complex, Rpob S531L Mutant


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Escherichia Coli Rna Polymerase and Rifampin Complex, Rpob S531L Mutant within 5.0Å range: probe atom residue distance (Å) B Occ D:Zn1503 b:82.1 occ:1.00 SG D:CYS898 2.0 0.8 1.0 SG D:CYS895 2.2 0.7 1.0 SG D:CYS888 2.2 0.8 1.0 SG D:CYS814 2.4 0.1 1.0 CB D:CYS898 2.8 0.4 1.0 CB D:CYS888 2.8 0.8 1.0 CA D:CYS888 3.4 0.7 1.0 CB D:CYS814 3.6 0.1 1.0 CB D:CYS895 3.6 0.5 1.0 CA D:CYS898 4.0 0.5 1.0 NH2 D:ARG883 4.0 0.4 1.0 N D:ASP889 4.0 1.0 1.0 C D:CYS888 4.1 0.7 1.0 N D:CYS898 4.1 0.0 1.0 N D:CYS895 4.1 0.7 1.0 O D:CYS895 4.3 0.4 1.0 N D:CYS814 4.3 0.9 1.0 CA D:CYS895 4.3 0.1 1.0 CA D:CYS814 4.6 0.3 1.0 N D:CYS888 4.6 0.9 1.0 C D:CYS895 4.7 0.0 1.0 N D:THR890 4.8 0.7 1.0 OG1 D:THR890 4.9 0.0 1.0 CG2 D:THR816 4.9 0.9 1.0 CZ D:ARG883 4.9 0.1 1.0

Zinc binding site 3 out of 4 in the Escherichia Coli Rna Polymerase and Rifampin Complex, Rpob S531L Mutant


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Escherichia Coli Rna Polymerase and Rifampin Complex, Rpob S531L Mutant within 5.0Å range: probe atom residue distance (Å) B Occ J:Zn1502 b:0.7 occ:1.00 SG J:CYS72 2.0 0.9 1.0 SG J:CYS70 2.1 0.1 1.0 SG J:CYS85 2.2 0.9 1.0 CB J:CYS85 3.0 0.7 1.0 CB J:CYS72 3.1 0.1 1.0 SG J:CYS88 3.5 0.8 1.0 CB J:CYS70 3.5 0.3 1.0 O J:CYS88 3.7 0.5 1.0 N J:CYS72 3.8 0.6 1.0 CA J:CYS72 4.0 0.9 1.0 N J:CYS88 4.3 0.6 1.0 N J:GLY73 4.3 0.6 1.0 N J:LYS74 4.4 0.2 1.0 CB J:LYS74 4.4 0.7 1.0 CB J:LYS87 4.4 0.0 1.0 CA J:CYS85 4.5 0.1 1.0 C J:CYS72 4.5 1.0 1.0 C J:CYS88 4.6 0.5 1.0 N J:LEU71 4.6 0.7 1.0 CA J:CYS70 4.7 0.3 1.0 CA J:CYS88 4.8 0.4 1.0 C J:CYS70 4.8 0.3 1.0 CB J:CYS88 4.9 0.8 1.0 C J:LEU71 4.9 0.1 1.0 N J:LYS87 5.0 0.2 1.0 CA J:LYS74 5.0 0.3 1.0

Zinc binding site 4 out of 4 in the Escherichia Coli Rna Polymerase and Rifampin Complex, Rpob S531L Mutant


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of Escherichia Coli Rna Polymerase and Rifampin Complex, Rpob S531L Mutant within 5.0Å range: probe atom residue distance (Å) B Occ J:Zn1503 b:1.0 occ:1.00 SG J:CYS898 2.0 0.1 1.0 SG J:CYS888 2.1 1.0 1.0 SG J:CYS895 2.2 0.9 1.0 SG J:CYS814 2.4 0.3 1.0 CB J:CYS898 2.7 0.7 1.0 CB J:CYS888 2.7 0.6 1.0 CA J:CYS888 3.3 0.5 1.0 CB J:CYS814 3.6 0.3 1.0 CB J:CYS895 3.7 0.3 1.0 NH2 J:ARG883 3.8 0.5 1.0 CA J:CYS898 3.9 0.3 1.0 N J:CYS898 4.1 0.7 1.0 N J:ASP889 4.1 0.6 1.0 C J:CYS888 4.1 0.6 1.0 N J:CYS895 4.3 0.8 1.0 O J:CYS895 4.4 0.5 1.0 N J:CYS814 4.5 0.1 1.0 N J:CYS888 4.5 0.9 1.0 CA J:CYS895 4.5 0.9 1.0 CG2 J:THR816 4.6 0.2 1.0 CA J:CYS814 4.7 0.2 1.0 CZ J:ARG883 4.7 0.5 1.0 C J:CYS895 4.8 0.2 1.0 OG1 J:THR890 4.9 0.4 1.0 N J:THR890 4.9 0.4 1.0 NE J:ARG883 4.9 0.2 1.0

V.Molodtsov, N.T.Scharf, M.A.Stefan, G.A.Garcia, K.S.Murakami. Structural Basis For Rifamycin Resistance of Bacterial Rna Polymerase By the Three Most Clinically Important Rpob Mutations Found in Mycobacterium Tuberculosis. Mol. Microbiol. V. 103 1034 2017.
ISSN: ESSN 1365-2958
PubMed: 28009073
DOI: 10.1111/MMI.13606