Atomistry » Magnesium » PDB 4kg0-4knx » 4kn4
Atomistry »
  Magnesium »
    PDB 4kg0-4knx »
      4kn4 »

Magnesium in PDB 4kn4: X-Ray Crystal Structure of the Escherichia Coli Rna Polymerase in Complex with Benzoxazinorifamycin-2B

Enzymatic activity of X-Ray Crystal Structure of the Escherichia Coli Rna Polymerase in Complex with Benzoxazinorifamycin-2B

All present enzymatic activity of X-Ray Crystal Structure of the Escherichia Coli Rna Polymerase in Complex with Benzoxazinorifamycin-2B:
2.7.7.6;

Protein crystallography data

The structure of X-Ray Crystal Structure of the Escherichia Coli Rna Polymerase in Complex with Benzoxazinorifamycin-2B, PDB code: 4kn4 was solved by K.S.Murakami, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.77 / 3.96
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 184.675, 203.975, 307.910, 90.00, 90.00, 90.00
R / Rfree (%) 25.1 / 31.5

Other elements in 4kn4:

The structure of X-Ray Crystal Structure of the Escherichia Coli Rna Polymerase in Complex with Benzoxazinorifamycin-2B also contains other interesting chemical elements:

Zinc (Zn) 4 atoms

Magnesium Binding Sites:

The binding sites of Magnesium atom in the X-Ray Crystal Structure of the Escherichia Coli Rna Polymerase in Complex with Benzoxazinorifamycin-2B (pdb code 4kn4). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the X-Ray Crystal Structure of the Escherichia Coli Rna Polymerase in Complex with Benzoxazinorifamycin-2B, PDB code: 4kn4:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in 4kn4

Go back to Magnesium Binding Sites List in 4kn4
Magnesium binding site 1 out of 2 in the X-Ray Crystal Structure of the Escherichia Coli Rna Polymerase in Complex with Benzoxazinorifamycin-2B


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of X-Ray Crystal Structure of the Escherichia Coli Rna Polymerase in Complex with Benzoxazinorifamycin-2B within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mg1503

b:24.8
occ:1.00
OD2 D:ASP462 2.1 36.7 1.0
OD1 D:ASP464 2.1 70.6 1.0
OD2 D:ASP464 2.5 51.5 1.0
CG D:ASP464 2.7 43.5 1.0
CG D:ASP462 3.0 49.7 1.0
CB D:ASP462 3.2 24.1 1.0
CB D:ASP460 3.9 32.1 1.0
NH2 D:ARG425 4.1 11.6 1.0
N D:ASP462 4.2 79.8 1.0
CB D:ASP464 4.2 21.6 1.0
OD1 D:ASP462 4.2 48.5 1.0
CA D:ASP462 4.3 70.8 1.0
O D:ASP460 4.4 30.1 1.0
C D:ASP460 4.5 23.5 1.0
N D:ASP460 4.5 20.7 1.0
CA D:ASP460 4.6 29.7 1.0
CG D:ASP460 4.9 52.3 1.0
N D:ASP464 4.9 0.5 1.0
CA D:ASP464 5.0 0.1 1.0
C D:ASP462 5.0 68.6 1.0

Magnesium binding site 2 out of 2 in 4kn4

Go back to Magnesium Binding Sites List in 4kn4
Magnesium binding site 2 out of 2 in the X-Ray Crystal Structure of the Escherichia Coli Rna Polymerase in Complex with Benzoxazinorifamycin-2B


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of X-Ray Crystal Structure of the Escherichia Coli Rna Polymerase in Complex with Benzoxazinorifamycin-2B within 5.0Å range:
probe atom residue distance (Å) B Occ
I:Mg1503

b:20.1
occ:1.00
OD2 I:ASP462 2.1 83.0 1.0
CG I:ASP462 2.5 54.5 1.0
CB I:ASP462 2.5 11.2 1.0
OD1 I:ASP464 3.1 33.8 1.0
OD2 I:ASP464 3.5 36.3 1.0
OD1 I:ASP462 3.6 36.1 1.0
CG I:ASP464 3.7 28.4 1.0
NZ H:LYS1073 3.8 67.8 1.0
CA I:ASP462 3.9 45.8 1.0
N I:ASP462 4.3 74.9 1.0
CD H:LYS1073 4.5 39.6 1.0
C I:ASP462 4.6 42.2 1.0
CE H:LYS1073 4.7 30.0 1.0
CB I:ASP460 4.9 96.4 1.0
O I:ASP462 4.9 66.0 1.0

Reference:

V.Molodtsov, I.N.Nawarathne, N.T.Scharf, P.D.Kirchhoff, H.D.Showalter, G.A.Garcia, K.S.Murakami. X-Ray Crystal Structures of the Escherichia Coli Rna Polymerase in Complex with Benzoxazinorifamycins. J.Med.Chem. V. 56 4758 2013.
ISSN: ISSN 0022-2623
PubMed: 23679862
DOI: 10.1021/JM4004889
Page generated: Sat Aug 17 03:43:50 2024

Last articles

Cl in 2UYA
Cl in 2UY3
Cl in 2UXX
Cl in 2UU7
Cl in 2UXN
Cl in 2UXG
Cl in 2UXF
Cl in 2UX7
Cl in 2UX1
Cl in 2UWX
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy