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Magnesium in PDB 4oir: Crystal Structure of Thermus Thermophilus Rna Polymerase Transcription Initiation Complex Soaked with GE23077 and Rifamycin Sv

Enzymatic activity of Crystal Structure of Thermus Thermophilus Rna Polymerase Transcription Initiation Complex Soaked with GE23077 and Rifamycin Sv

All present enzymatic activity of Crystal Structure of Thermus Thermophilus Rna Polymerase Transcription Initiation Complex Soaked with GE23077 and Rifamycin Sv:
2.7.7.6;

Protein crystallography data

The structure of Crystal Structure of Thermus Thermophilus Rna Polymerase Transcription Initiation Complex Soaked with GE23077 and Rifamycin Sv, PDB code: 4oir was solved by Y.Zhang, R.H.Ebright, E.Arnold, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 47.50 / 3.10
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 183.700, 105.010, 295.360, 90.00, 98.79, 90.00
R / Rfree (%) 20.6 / 25.3

Other elements in 4oir:

The structure of Crystal Structure of Thermus Thermophilus Rna Polymerase Transcription Initiation Complex Soaked with GE23077 and Rifamycin Sv also contains other interesting chemical elements:

Zinc (Zn) 2 atoms

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of Thermus Thermophilus Rna Polymerase Transcription Initiation Complex Soaked with GE23077 and Rifamycin Sv (pdb code 4oir). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Crystal Structure of Thermus Thermophilus Rna Polymerase Transcription Initiation Complex Soaked with GE23077 and Rifamycin Sv, PDB code: 4oir:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in 4oir

Go back to Magnesium Binding Sites List in 4oir
Magnesium binding site 1 out of 4 in the Crystal Structure of Thermus Thermophilus Rna Polymerase Transcription Initiation Complex Soaked with GE23077 and Rifamycin Sv


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of Thermus Thermophilus Rna Polymerase Transcription Initiation Complex Soaked with GE23077 and Rifamycin Sv within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg401

b:25.4
occ:1.00
O D:LYS840 2.4 42.2 1.0
OD2 B:ASP168 3.4 42.3 1.0
OE1 B:GLU154 3.5 59.8 1.0
C D:LYS840 3.6 42.0 1.0
OD1 B:ASP168 3.8 51.7 1.0
CG B:ASP168 4.0 46.6 1.0
OE1 B:GLU64 4.2 81.8 1.0
CA D:TYR841 4.3 42.0 1.0
N D:TYR841 4.4 44.2 1.0
N D:VAL842 4.4 44.3 1.0
OE2 B:GLU64 4.5 81.9 1.0
O D:LEU839 4.5 44.2 1.0
CA D:LYS840 4.6 40.7 1.0
CD B:GLU154 4.6 67.9 1.0
CD B:GLU64 4.8 81.1 1.0
C D:TYR841 4.8 42.8 1.0

Magnesium binding site 2 out of 4 in 4oir

Go back to Magnesium Binding Sites List in 4oir
Magnesium binding site 2 out of 4 in the Crystal Structure of Thermus Thermophilus Rna Polymerase Transcription Initiation Complex Soaked with GE23077 and Rifamycin Sv


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of Thermus Thermophilus Rna Polymerase Transcription Initiation Complex Soaked with GE23077 and Rifamycin Sv within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mg2003

b:14.4
occ:1.00
OD1 D:ASP741 2.0 19.6 1.0
OD1 D:ASP743 2.0 21.2 1.0
O D:HOH2104 2.0 27.0 1.0
O D:HOH2106 2.1 24.4 1.0
O D:HOH2105 2.1 23.5 1.0
OD1 D:ASP739 2.1 18.9 1.0
OD2 D:ASP741 2.6 26.6 1.0
CG D:ASP741 2.6 18.6 1.0
CG D:ASP743 3.0 18.8 1.0
CG D:ASP739 3.2 19.5 1.0
OD2 D:ASP743 3.2 18.3 1.0
OD2 D:ASP739 3.5 21.4 1.0
O I:R2T4 3.9 25.8 1.0
CB D:ASP741 4.1 15.2 1.0
O D:HOH2107 4.2 24.2 1.0
CB D:ASP743 4.4 16.9 1.0
O D:ASP739 4.4 25.1 1.0
N D:ASP743 4.5 15.6 1.0
CB D:ASP739 4.5 23.2 1.0
O D:HOH2108 4.6 17.8 1.0
N D:ASP739 4.6 23.0 1.0
C D:ASP739 4.6 20.2 1.0
N D:ASP741 4.7 21.3 1.0
CB I:R2T4 4.7 24.3 1.0
CA D:ASP741 4.7 16.5 1.0
CA D:ASP743 4.8 16.4 1.0
C I:R2T4 4.8 25.2 1.0
NH2 D:ARG704 4.8 25.3 1.0
CA D:ASP739 4.8 20.2 1.0
C D:ASP741 4.8 19.2 1.0
CA I:R2T4 5.0 21.9 1.0

Magnesium binding site 3 out of 4 in 4oir

Go back to Magnesium Binding Sites List in 4oir
Magnesium binding site 3 out of 4 in the Crystal Structure of Thermus Thermophilus Rna Polymerase Transcription Initiation Complex Soaked with GE23077 and Rifamycin Sv


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Crystal Structure of Thermus Thermophilus Rna Polymerase Transcription Initiation Complex Soaked with GE23077 and Rifamycin Sv within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mg2004

b:50.3
occ:1.00
O D:ILE900 2.9 57.7 1.0
O D:TRP897 3.4 44.7 1.0
O D:GLU898 3.9 55.0 1.0
C D:ILE900 4.1 48.2 1.0
C D:GLU898 4.5 53.6 1.0
C D:TRP897 4.6 49.0 1.0
CA D:GLU898 4.7 50.7 1.0
CA D:GLN901 4.8 46.5 1.0
N D:LEU902 4.9 39.6 1.0
N D:GLN901 4.9 46.6 1.0
NE1 D:TRP897 5.0 64.1 1.0

Magnesium binding site 4 out of 4 in 4oir

Go back to Magnesium Binding Sites List in 4oir
Magnesium binding site 4 out of 4 in the Crystal Structure of Thermus Thermophilus Rna Polymerase Transcription Initiation Complex Soaked with GE23077 and Rifamycin Sv


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Crystal Structure of Thermus Thermophilus Rna Polymerase Transcription Initiation Complex Soaked with GE23077 and Rifamycin Sv within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Mg2001

b:55.5
occ:1.00
O F:GLY296 2.2 60.1 1.0
O F:TRP299 2.7 48.0 1.0
O F:ALA292 3.1 66.7 1.0
C F:GLY296 3.3 70.1 1.0
C F:ALA292 3.7 62.8 1.0
C F:TRP299 3.8 51.1 1.0
CA F:GLU293 3.9 63.9 1.0
CA F:PRO297 4.1 68.8 1.0
N F:PRO297 4.1 73.3 1.0
N F:TRP299 4.1 58.4 1.0
N F:GLU293 4.1 65.0 1.0
CA F:TRP299 4.2 55.1 1.0
CB F:TRP299 4.3 54.6 1.0
CA F:GLY296 4.3 67.8 1.0
N F:GLY296 4.5 65.6 1.0
O F:GLU293 4.5 63.3 1.0
C F:PRO297 4.5 63.2 1.0
C F:GLU293 4.5 57.8 1.0
N F:GLY298 4.6 58.7 1.0
CA F:ALA292 4.8 54.7 1.0
CB F:ALA292 4.9 54.7 1.0
N F:ASP300 4.9 56.3 1.0

Reference:

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
Page generated: Tue Aug 20 00:51:43 2024

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