Zinc 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 Binding Sites:
The binding sites of Zinc 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 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 Benzoxazinorifamycin-2B, PDB code: 4kn4:
Jump to Zinc binding site number:
1;
2;
3;
4;
Zinc binding site 1 out
of 4 in 4kn4
Go back to
Zinc Binding Sites List in 4kn4
Zinc binding site 1 out
of 4 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 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 Benzoxazinorifamycin-2B within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Zn1501
b:54.5
occ:1.00
|
SG
|
D:CYS85
|
2.3
|
0.3
|
1.0
|
SG
|
D:CYS72
|
2.3
|
27.8
|
1.0
|
SG
|
D:CYS70
|
2.3
|
42.7
|
1.0
|
SG
|
D:CYS88
|
2.4
|
0.7
|
1.0
|
CB
|
D:CYS85
|
2.9
|
0.2
|
1.0
|
CB
|
D:CYS70
|
3.3
|
19.9
|
1.0
|
CB
|
D:CYS72
|
3.7
|
9.6
|
1.0
|
N
|
D:CYS72
|
3.8
|
90.2
|
1.0
|
O
|
D:CYS88
|
4.0
|
67.6
|
1.0
|
N
|
D:GLY73
|
4.0
|
68.5
|
1.0
|
CB
|
D:CYS88
|
4.1
|
0.6
|
1.0
|
N
|
D:LEU71
|
4.2
|
46.0
|
1.0
|
CA
|
D:CYS72
|
4.2
|
93.4
|
1.0
|
N
|
D:LYS74
|
4.3
|
75.1
|
1.0
|
N
|
D:CYS88
|
4.4
|
0.8
|
1.0
|
CA
|
D:CYS85
|
4.4
|
2.8
|
1.0
|
CB
|
D:LYS74
|
4.4
|
26.3
|
1.0
|
CA
|
D:CYS70
|
4.5
|
12.3
|
1.0
|
CG
|
D:LYS74
|
4.5
|
54.8
|
1.0
|
C
|
D:CYS70
|
4.6
|
6.3
|
1.0
|
CA
|
D:CYS88
|
4.6
|
86.9
|
1.0
|
C
|
D:CYS72
|
4.7
|
0.0
|
1.0
|
CD1
|
D:TYR75
|
4.7
|
45.3
|
1.0
|
C
|
D:LEU71
|
4.7
|
56.7
|
1.0
|
C
|
D:CYS88
|
4.8
|
74.0
|
1.0
|
CA
|
D:LEU71
|
4.9
|
48.3
|
1.0
|
CA
|
D:LYS74
|
5.0
|
80.0
|
1.0
|
|
Zinc binding site 2 out
of 4 in 4kn4
Go back to
Zinc Binding Sites List in 4kn4
Zinc binding site 2 out
of 4 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 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 Benzoxazinorifamycin-2B within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Zn1502
b:8.6
occ:1.00
|
CB
|
D:CYS895
|
2.1
|
2.6
|
1.0
|
SG
|
D:CYS888
|
2.2
|
0.3
|
1.0
|
SG
|
D:CYS898
|
2.3
|
0.7
|
1.0
|
SG
|
D:CYS814
|
2.4
|
14.3
|
1.0
|
SG
|
D:CYS895
|
2.8
|
10.5
|
1.0
|
CB
|
D:CYS888
|
3.1
|
0.0
|
1.0
|
CB
|
D:CYS898
|
3.4
|
0.0
|
1.0
|
CA
|
D:CYS895
|
3.5
|
38.1
|
1.0
|
CA
|
D:CYS888
|
3.6
|
0.9
|
1.0
|
N
|
D:CYS895
|
3.9
|
38.3
|
1.0
|
CB
|
D:CYS814
|
4.0
|
46.7
|
1.0
|
C
|
D:CYS888
|
4.3
|
10.9
|
1.0
|
N
|
D:ASP889
|
4.4
|
66.0
|
1.0
|
C
|
D:CYS895
|
4.4
|
47.1
|
1.0
|
O
|
D:GLY815
|
4.4
|
13.6
|
1.0
|
O
|
D:CYS895
|
4.6
|
64.2
|
1.0
|
N
|
D:CYS898
|
4.6
|
2.1
|
1.0
|
CA
|
D:CYS898
|
4.6
|
0.8
|
1.0
|
N
|
D:CYS814
|
4.6
|
10.3
|
1.0
|
CA
|
D:CYS814
|
4.8
|
4.3
|
1.0
|
N
|
D:CYS888
|
4.8
|
22.8
|
1.0
|
N
|
D:THR890
|
4.8
|
57.9
|
1.0
|
NH2
|
D:ARG883
|
4.8
|
4.6
|
1.0
|
C
|
D:CYS814
|
5.0
|
29.7
|
1.0
|
CB
|
D:THR890
|
5.0
|
46.0
|
1.0
|
|
Zinc binding site 3 out
of 4 in 4kn4
Go back to
Zinc Binding Sites List in 4kn4
Zinc binding site 3 out
of 4 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 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 Benzoxazinorifamycin-2B within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
I:Zn1501
b:60.2
occ:1.00
|
SG
|
I:CYS72
|
2.3
|
29.2
|
1.0
|
SG
|
I:CYS88
|
2.3
|
0.6
|
1.0
|
SG
|
I:CYS85
|
2.3
|
0.2
|
1.0
|
SG
|
I:CYS70
|
2.4
|
57.0
|
1.0
|
CB
|
I:CYS85
|
3.1
|
0.3
|
1.0
|
CB
|
I:CYS70
|
3.3
|
7.0
|
1.0
|
CB
|
I:CYS72
|
3.6
|
31.4
|
1.0
|
N
|
I:CYS72
|
3.7
|
0.6
|
1.0
|
CB
|
I:CYS88
|
4.0
|
0.7
|
1.0
|
O
|
I:CYS88
|
4.1
|
0.8
|
1.0
|
N
|
I:LEU71
|
4.1
|
10.6
|
1.0
|
CA
|
I:CYS72
|
4.2
|
0.4
|
1.0
|
N
|
I:GLY73
|
4.2
|
19.5
|
1.0
|
N
|
I:CYS88
|
4.3
|
0.8
|
1.0
|
CA
|
I:CYS85
|
4.5
|
23.9
|
1.0
|
C
|
I:CYS70
|
4.6
|
72.5
|
1.0
|
CA
|
I:CYS70
|
4.6
|
75.3
|
1.0
|
CA
|
I:CYS88
|
4.6
|
0.4
|
1.0
|
N
|
I:LYS74
|
4.6
|
1.0
|
1.0
|
C
|
I:LEU71
|
4.7
|
4.0
|
1.0
|
CD1
|
I:TYR75
|
4.7
|
20.0
|
1.0
|
C
|
I:CYS88
|
4.8
|
1.0
|
1.0
|
C
|
I:CYS72
|
4.8
|
0.1
|
1.0
|
CA
|
I:LEU71
|
4.8
|
0.1
|
1.0
|
CB
|
I:LYS74
|
4.8
|
57.7
|
1.0
|
CG
|
I:LYS74
|
4.9
|
0.8
|
1.0
|
CB
|
I:LEU71
|
4.9
|
3.8
|
1.0
|
|
Zinc binding site 4 out
of 4 in 4kn4
Go back to
Zinc Binding Sites List in 4kn4
Zinc binding site 4 out
of 4 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 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 Benzoxazinorifamycin-2B within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
I:Zn1502
b:49.6
occ:1.00
|
CB
|
I:CYS895
|
2.1
|
41.5
|
1.0
|
SG
|
I:CYS898
|
2.3
|
1.1
|
1.0
|
SG
|
I:CYS814
|
2.3
|
0.9
|
1.0
|
SG
|
I:CYS888
|
2.3
|
38.2
|
1.0
|
SG
|
I:CYS895
|
2.4
|
86.0
|
1.0
|
CB
|
I:CYS888
|
3.5
|
23.6
|
1.0
|
CB
|
I:CYS898
|
3.5
|
3.1
|
1.0
|
CA
|
I:CYS895
|
3.6
|
0.5
|
1.0
|
CB
|
I:CYS814
|
4.0
|
0.7
|
1.0
|
CA
|
I:CYS888
|
4.1
|
33.8
|
1.0
|
N
|
I:CYS895
|
4.1
|
0.3
|
1.0
|
O
|
I:GLY815
|
4.1
|
88.6
|
1.0
|
C
|
I:CYS895
|
4.4
|
98.1
|
1.0
|
N
|
I:CYS898
|
4.5
|
51.8
|
1.0
|
N
|
I:CYS814
|
4.5
|
38.2
|
1.0
|
CA
|
I:CYS898
|
4.6
|
45.3
|
1.0
|
NH2
|
I:ARG883
|
4.6
|
11.3
|
1.0
|
CA
|
I:CYS814
|
4.6
|
36.3
|
1.0
|
N
|
I:ASP889
|
4.7
|
64.2
|
1.0
|
C
|
I:CYS814
|
4.7
|
54.0
|
1.0
|
O
|
I:CYS895
|
4.7
|
0.4
|
1.0
|
C
|
I:CYS888
|
4.8
|
39.5
|
1.0
|
O
|
I:CYS814
|
4.8
|
70.4
|
1.0
|
CG2
|
I:THR816
|
4.9
|
52.0
|
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: Sun Oct 27 01:17:15 2024
|