Zinc in PDB 4mq9: Crystal Structure of Thermus Thermophilus Rna Polymerase Holoenzyme in Complex with GE23077

All present enzymatic activity of Crystal Structure of Thermus Thermophilus Rna Polymerase Holoenzyme in Complex with GE23077:
2.7.7.6;

The structure of Crystal Structure of Thermus Thermophilus Rna Polymerase Holoenzyme in Complex with GE23077, PDB code: 4mq9 was solved by M.X.Ho, E.Arnold, R.H.Ebright, Y.Zhang, S.Tuske, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.97 / 3.35
Space group	P 65
Cell size a, b, c (Å), α, β, γ (°)	236.569, 236.569, 252.311, 90.00, 90.00, 120.00
R / Rfree (%)	21.4 / 24.2

The structure of Crystal Structure of Thermus Thermophilus Rna Polymerase Holoenzyme in Complex with GE23077 also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

The binding sites of Zinc atom in the Crystal Structure of Thermus Thermophilus Rna Polymerase Holoenzyme in Complex with GE23077 (pdb code 4mq9). 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 Thermus Thermophilus Rna Polymerase Holoenzyme in Complex with GE23077, PDB code: 4mq9:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Crystal Structure of Thermus Thermophilus Rna Polymerase Holoenzyme in Complex with GE23077


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 Thermus Thermophilus Rna Polymerase Holoenzyme in Complex with GE23077 within 5.0Å range: probe atom residue distance (Å) B Occ D:Zn1601 b:0.8 occ:1.00 SG D:CYS73 2.3 0.1 1.0 SG D:CYS60 2.3 0.8 1.0 SG D:CYS76 2.3 0.9 1.0 SG D:CYS58 2.4 0.1 1.0 CB D:CYS73 2.7 0.6 1.0 CB D:CYS58 2.9 0.8 1.0 CB D:CYS60 3.9 0.0 1.0 CB D:LYS62 4.0 0.7 1.0 N D:CYS60 4.0 0.7 1.0 CB D:CYS76 4.0 0.5 1.0 N D:LYS62 4.1 0.2 1.0 CA D:CYS73 4.2 0.5 1.0 N D:GLY61 4.2 0.5 1.0 N D:CYS76 4.3 0.0 1.0 CA D:CYS58 4.3 0.4 1.0 N D:ALA59 4.3 0.1 1.0 CD2 D:TYR63 4.3 0.0 1.0 CA D:CYS60 4.4 0.1 1.0 C D:CYS58 4.5 0.6 1.0 CE2 D:TYR63 4.5 0.6 1.0 CA D:LYS62 4.6 0.4 1.0 CG D:LYS62 4.7 0.6 1.0 CA D:CYS76 4.7 0.8 1.0 C D:CYS60 4.8 0.4 1.0 CB D:ARG75 4.8 0.6 1.0 CD D:LYS62 4.9 0.8 1.0 N D:TYR63 5.0 0.6 1.0 C D:CYS73 5.0 0.7 1.0

Zinc binding site 2 out of 2 in the Crystal Structure of Thermus Thermophilus Rna Polymerase Holoenzyme in Complex with GE23077


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 Thermus Thermophilus Rna Polymerase Holoenzyme in Complex with GE23077 within 5.0Å range: probe atom residue distance (Å) B Occ D:Zn1602 b:0.7 occ:1.00 SG D:CYS1194 2.2 0.0 1.0 SG D:CYS1112 2.3 0.2 1.0 SG D:CYS1204 2.4 0.5 1.0 SG D:CYS1201 2.5 91.7 1.0 CB D:CYS1194 3.0 93.4 1.0 CB D:CYS1112 3.1 0.7 1.0 CB D:CYS1204 3.3 89.4 1.0 CB D:CYS1201 3.4 0.6 1.0 CA D:CYS1194 3.5 96.2 1.0 N D:GLN1195 3.7 97.8 1.0 NH1 D:ARG1189 3.9 96.7 1.0 N D:CYS1201 4.0 95.2 1.0 C D:CYS1194 4.1 0.4 1.0 N D:CYS1112 4.1 0.3 1.0 CA D:CYS1112 4.1 0.5 1.0 CA D:CYS1201 4.3 0.7 1.0 OG1 D:THR1196 4.3 99.8 1.0 CG2 D:THR1114 4.4 0.1 1.0 N D:CYS1204 4.5 94.7 1.0 CA D:CYS1204 4.5 93.6 1.0 N D:THR1196 4.6 0.8 1.0 N D:CYS1194 4.7 98.3 1.0 C D:CYS1112 4.9 1.0 1.0 CA D:GLN1195 4.9 0.3 1.0

Y.Zhang, D.Degen, M.X.Ho, E.Sineva, K.Y.Ebright, Y.W.Ebright, V.Mekler, H.Vahedian-Movahed, Y.Feng, R.Yin, S.Tuske, H.Irschik, R.Jansen, S.Maffioli, S.Donadio, E.Arnold, R.H.Ebright. GE23077 Binds to the Rna Polymerase 'I' and 'I+1' Sites and Prevents the Binding of Initiating Nucleotides. Elife V. 3 02450 2014.
ISSN: ESSN 2050-084X
PubMed: 24755292