Magnesium in PDB 6cuu: Thermus Thermophiles Rna Polymerase in Complex with Promoter Dna and Antibiotic Kanglemycin A

All present enzymatic activity of Thermus Thermophiles Rna Polymerase in Complex with Promoter Dna and Antibiotic Kanglemycin A:
2.7.7.6;

The structure of Thermus Thermophiles Rna Polymerase in Complex with Promoter Dna and Antibiotic Kanglemycin A, PDB code: 6cuu was solved by V.Molodtsov, K.S.Murakami, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.31 / 2.99
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	185.221, 101.315, 294.279, 90.00, 98.89, 90.00
R / Rfree (%)	20.1 / 24.8

The structure of Thermus Thermophiles Rna Polymerase in Complex with Promoter Dna and Antibiotic Kanglemycin A also contains other interesting chemical elements:

Zinc

(Zn)

2 atoms

The binding sites of Magnesium atom in the Thermus Thermophiles Rna Polymerase in Complex with Promoter Dna and Antibiotic Kanglemycin A (pdb code 6cuu). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Thermus Thermophiles Rna Polymerase in Complex with Promoter Dna and Antibiotic Kanglemycin A, PDB code: 6cuu:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Thermus Thermophiles Rna Polymerase in Complex with Promoter Dna and Antibiotic Kanglemycin A


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Thermus Thermophiles Rna Polymerase in Complex with Promoter Dna and Antibiotic Kanglemycin A within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg2003 b:0.7 occ:1.00 OD1 D:ASP739 2.1 0.3 1.0 OD1 D:ASP741 2.2 94.6 1.0 OD2 D:ASP741 2.4 72.2 1.0 OD1 D:ASP743 2.4 52.6 1.0 CG D:ASP741 2.6 71.2 1.0 CG D:ASP739 2.9 81.9 1.0 OD2 D:ASP739 3.1 0.7 1.0 CG D:ASP743 3.3 50.4 1.0 OD2 D:ASP743 3.4 49.4 1.0 CB D:ASP741 4.1 43.1 1.0 CB D:ASP739 4.3 37.8 1.0 O D:ASP739 4.6 73.8 1.0 N D:ASP739 4.6 53.4 1.0 C D:ASP739 4.7 52.8 1.0 N D:ASP741 4.7 45.4 1.0 CB D:ASP743 4.7 35.7 1.0 CA D:ASP739 4.8 42.0 1.0 NH2 D:ARG704 4.9 53.8 1.0 CA D:ASP741 4.9 46.1 1.0 N D:ASP743 4.9 41.0 1.0

Magnesium binding site 2 out of 2 in the Thermus Thermophiles Rna Polymerase in Complex with Promoter Dna and Antibiotic Kanglemycin A


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Thermus Thermophiles Rna Polymerase in Complex with Promoter Dna and Antibiotic Kanglemycin A within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg2004 b:70.2 occ:1.00 O D:LYS840 1.9 0.0 1.0 C D:LYS840 3.1 91.7 1.0 OE2 B:GLU154 3.5 1.0 1.0 O D:LEU839 3.9 69.7 1.0 OD2 B:ASP168 4.0 78.7 1.0 CA D:LYS840 4.0 76.8 1.0 N D:TYR841 4.1 94.9 1.0 CA D:TYR841 4.3 85.5 1.0 OE1 B:GLU64 4.3 0.2 1.0 N D:VAL842 4.4 84.3 1.0 OD1 B:ASP168 4.5 80.5 1.0 CD B:GLU154 4.5 0.7 1.0 OE2 B:GLU64 4.6 1.0 1.0 CG B:ASP168 4.6 81.4 1.0 OE1 B:GLU154 4.8 0.5 1.0 C D:TYR841 4.8 86.0 1.0 C D:LEU839 4.8 75.2 1.0 CD B:GLU64 4.9 0.7 1.0 N D:LYS840 4.9 74.5 1.0

H.Mosaei, V.Molodtsov, B.Kepplinger, J.Harbottle, C.W.Moon, R.E.Jeeves, L.Ceccaroni, Y.Shin, S.Morton-Laing, E.C.L.Marrs, C.Wills, W.Clegg, Y.Yuzenkova, J.D.Perry, J.Bacon, J.Errington, N.E.E.Allenby, M.J.Hall, K.S.Murakami, N.Zenkin. Mode of Action of Kanglemycin A, An Ansamycin Natural Product That Is Active Against Rifampicin-Resistant Mycobacterium Tuberculosis. Mol. Cell V. 72 263 2018.
ISSN: ISSN 1097-4164
PubMed: 30244835
DOI: 10.1016/J.MOLCEL.2018.08.028