Atomistry » Zinc » PDB 4kjm-4kxc » 4kmu
Atomistry »
  Zinc »
    PDB 4kjm-4kxc »
      4kmu »

Zinc in PDB 4kmu: X-Ray Crystal Structure of the Escherichia Coli Rna Polymerase in Complex with Rifampin

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

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

Protein crystallography data

The structure of X-Ray Crystal Structure of the Escherichia Coli Rna Polymerase in Complex with Rifampin, PDB code: 4kmu 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) 29.97 / 3.85
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 184.520, 203.873, 307.871, 90.00, 90.00, 90.00
R / Rfree (%) 26.4 / 32.1

Other elements in 4kmu:

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

Magnesium (Mg) 2 atoms

Zinc Binding Sites:

The binding sites of Zinc atom in the X-Ray Crystal Structure of the Escherichia Coli Rna Polymerase in Complex with Rifampin (pdb code 4kmu). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 4 binding sites of Zinc where determined in the X-Ray Crystal Structure of the Escherichia Coli Rna Polymerase in Complex with Rifampin, PDB code: 4kmu:
Jump to Zinc binding site number: 1; 2; 3; 4;

Zinc binding site 1 out of 4 in 4kmu

Go back to Zinc Binding Sites List in 4kmu
Zinc binding site 1 out of 4 in the X-Ray Crystal Structure of the Escherichia Coli Rna Polymerase in Complex with Rifampin


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of X-Ray Crystal Structure of the Escherichia Coli Rna Polymerase in Complex with Rifampin within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Zn1501

b:54.5
occ:1.00
SG D:CYS85 2.3 2.6 1.0
SG D:CYS70 2.3 43.5 1.0
SG D:CYS72 2.3 51.8 1.0
CB D:CYS85 2.9 2.5 1.0
CB D:CYS70 3.4 20.6 1.0
SG D:CYS88 3.6 0.3 1.0
N D:LYS74 3.6 0.0 1.0
CB D:LYS74 3.7 33.0 1.0
N D:GLY73 3.9 58.3 1.0
CG D:LYS74 3.9 61.6 1.0
CB D:CYS72 4.0 33.6 1.0
CD1 D:TYR75 4.2 32.6 1.0
CA D:CYS85 4.2 14.6 1.0
N D:CYS72 4.2 83.4 1.0
CA D:LYS74 4.2 0.9 1.0
N D:TYR75 4.4 43.5 1.0
CA D:CYS72 4.5 86.6 1.0
O D:CYS88 4.6 72.2 1.0
N D:LEU71 4.6 47.0 1.0
C D:GLY73 4.6 55.0 1.0
CE1 D:TYR75 4.6 35.5 1.0
CA D:CYS70 4.7 1.1 1.0
CA D:GLY73 4.7 67.8 1.0
C D:CYS72 4.8 93.2 1.0
C D:CYS70 4.8 0.7 1.0
N D:CYS88 4.9 0.4 1.0
C D:LYS74 4.9 98.5 1.0
N D:GLU86 4.9 19.8 1.0
C D:CYS85 5.0 32.4 1.0

Zinc binding site 2 out of 4 in 4kmu

Go back to Zinc Binding Sites List in 4kmu
Zinc binding site 2 out of 4 in the X-Ray Crystal Structure of the Escherichia Coli Rna Polymerase in Complex with Rifampin


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of X-Ray Crystal Structure of the Escherichia Coli Rna Polymerase in Complex with Rifampin within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Zn1502

b:8.6
occ:1.00
CB D:CYS895 2.3 25.0 1.0
SG D:CYS888 2.3 2.5 1.0
SG D:CYS898 2.4 5.7 1.0
SG D:CYS814 2.5 8.5 1.0
SG D:CYS895 3.0 32.8 1.0
CB D:CYS888 3.2 2.2 1.0
CB D:CYS898 3.7 4.0 1.0
CA D:CYS895 3.7 62.8 1.0
CA D:CYS888 3.7 42.5 1.0
N D:CYS895 4.1 63.0 1.0
CB D:CYS814 4.1 13.3 1.0
C D:CYS888 4.3 57.8 1.0
O D:GLY815 4.4 49.8 1.0
N D:CYS814 4.4 5.1 1.0
N D:ASP889 4.5 43.8 1.0
NH2 D:ARG883 4.6 1.2 1.0
C D:CYS895 4.6 71.8 1.0
CA D:CYS814 4.7 5.2 1.0
N D:CYS898 4.7 8.0 1.0
CA D:CYS898 4.8 8.7 1.0
O D:CYS895 4.9 88.9 1.0
N D:THR890 4.9 46.1 1.0
C D:CYS814 4.9 24.5 1.0
CB D:THR890 4.9 42.2 1.0
N D:CYS888 5.0 69.7 1.0

Zinc binding site 3 out of 4 in 4kmu

Go back to Zinc Binding Sites List in 4kmu
Zinc binding site 3 out of 4 in the X-Ray Crystal Structure of the Escherichia Coli Rna Polymerase in Complex with Rifampin


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of X-Ray Crystal Structure of the Escherichia Coli Rna Polymerase in Complex with Rifampin within 5.0Å range:
probe atom residue distance (Å) B Occ
I:Zn1501

b:60.2
occ:1.00
SG I:CYS72 2.4 56.6 1.0
SG I:CYS85 2.4 0.5 1.0
SG I:CYS70 2.4 0.7 1.0
SG I:CYS88 2.7 0.0 1.0
CB I:CYS85 2.8 21.2 1.0
CB I:CYS70 3.1 60.7 1.0
N I:CYS72 3.9 0.8 1.0
CB I:CYS72 3.9 58.8 1.0
O I:CYS88 4.1 0.1 1.0
N I:LEU71 4.1 34.7 1.0
N I:GLY73 4.2 33.6 1.0
CA I:CYS85 4.3 50.9 1.0
CA I:CYS72 4.4 0.5 1.0
CB I:CYS88 4.4 0.2 1.0
CA I:CYS70 4.4 47.1 1.0
N I:CYS88 4.4 0.1 1.0
C I:CYS70 4.5 44.2 1.0
N I:LYS74 4.5 0.6 1.0
CD1 I:TYR75 4.6 39.7 1.0
CB I:LYS74 4.7 59.2 1.0
CA I:CYS88 4.8 0.7 1.0
C I:LEU71 4.8 28.2 1.0
C I:CYS72 4.9 0.2 1.0
CG I:LYS74 4.9 0.2 1.0
C I:CYS88 4.9 0.3 1.0
CA I:LEU71 4.9 2.5 1.0
CE1 I:TYR75 5.0 50.5 1.0
CB I:VAL90 5.0 12.7 1.0

Zinc binding site 4 out of 4 in 4kmu

Go back to Zinc Binding Sites List in 4kmu
Zinc binding site 4 out of 4 in the X-Ray Crystal Structure of the Escherichia Coli Rna Polymerase in Complex with Rifampin


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of X-Ray Crystal Structure of the Escherichia Coli Rna Polymerase in Complex with Rifampin within 5.0Å range:
probe atom residue distance (Å) B Occ
I:Zn1502

b:49.6
occ:1.00
SG I:CYS898 2.2 4.2 1.0
SG I:CYS814 2.3 40.4 1.0
CB I:CYS895 2.5 68.3 1.0
SG I:CYS888 2.6 21.4 1.0
SG I:CYS895 2.8 0.8 1.0
CB I:CYS888 3.4 6.7 1.0
CB I:CYS898 3.7 6.2 1.0
O I:GLY815 3.8 0.6 1.0
CA I:CYS888 3.9 10.1 1.0
CB I:CYS814 4.0 81.2 1.0
CA I:CYS895 4.1 0.8 1.0
CG2 I:THR816 4.5 77.9 1.0
C I:CYS888 4.6 15.9 1.0
NH2 I:ARG883 4.6 22.7 1.0
N I:CYS898 4.6 54.3 1.0
N I:CYS895 4.6 0.6 1.0
CB I:THR816 4.7 0.9 1.0
N I:CYS814 4.7 0.0 1.0
N I:ASP889 4.7 40.6 1.0
CA I:CYS898 4.7 47.8 1.0
CA I:CYS814 4.7 0.0 1.0
C I:CYS814 4.8 0.8 1.0
NE I:ARG883 4.9 5.3 1.0
C I:CYS895 4.9 0.4 1.0
C I:GLY815 4.9 0.1 1.0
O I:CYS814 4.9 0.2 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: Wed Dec 16 05:29:38 2020

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy