Zinc in PDB 4kn7: X-Ray Crystal Structure of the Escherichia Coli Rna Polymerase in Complex with Benzoxazinorifamycin-2C
Enzymatic activity of X-Ray Crystal Structure of the Escherichia Coli Rna Polymerase in Complex with Benzoxazinorifamycin-2C
All present enzymatic activity of X-Ray Crystal Structure of the Escherichia Coli Rna Polymerase in Complex with Benzoxazinorifamycin-2C:
2.7.7.6;
Protein crystallography data
The structure of X-Ray Crystal Structure of the Escherichia Coli Rna Polymerase in Complex with Benzoxazinorifamycin-2C, PDB code: 4kn7
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)
|
29.88 /
3.69
|
Space group
|
P 21 21 21
|
Cell size a, b, c (Å), α, β, γ (°)
|
185.830,
204.579,
308.701,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
25.2 /
30.9
|
Other elements in 4kn7:
The structure of X-Ray Crystal Structure of the Escherichia Coli Rna Polymerase in Complex with Benzoxazinorifamycin-2C 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-2C
(pdb code 4kn7). 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-2C, PDB code: 4kn7:
Jump to Zinc binding site number:
1;
2;
3;
4;
Zinc binding site 1 out
of 4 in 4kn7
Go back to
Zinc Binding Sites List in 4kn7
Zinc binding site 1 out
of 4 in the X-Ray Crystal Structure of the Escherichia Coli Rna Polymerase in Complex with Benzoxazinorifamycin-2C
 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-2C within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Zn1501
b:54.5
occ:1.00
|
SG
|
D:CYS72
|
2.3
|
37.9
|
1.0
|
SG
|
D:CYS85
|
2.3
|
0.3
|
1.0
|
SG
|
D:CYS70
|
2.4
|
64.0
|
1.0
|
SG
|
D:CYS88
|
2.8
|
96.9
|
1.0
|
CB
|
D:CYS85
|
3.0
|
0.2
|
1.0
|
CB
|
D:CYS70
|
3.3
|
41.2
|
1.0
|
N
|
D:CYS72
|
3.7
|
62.2
|
1.0
|
CB
|
D:CYS72
|
3.8
|
19.7
|
1.0
|
N
|
D:GLY73
|
4.1
|
84.0
|
1.0
|
O
|
D:CYS88
|
4.1
|
92.7
|
1.0
|
N
|
D:LEU71
|
4.1
|
54.1
|
1.0
|
CA
|
D:CYS72
|
4.3
|
65.5
|
1.0
|
N
|
D:LYS74
|
4.3
|
46.1
|
1.0
|
CB
|
D:CYS88
|
4.4
|
82.7
|
1.0
|
N
|
D:CYS88
|
4.4
|
0.9
|
1.0
|
CA
|
D:CYS85
|
4.5
|
2.5
|
1.0
|
CB
|
D:LYS74
|
4.5
|
55.8
|
1.0
|
CA
|
D:CYS70
|
4.6
|
5.4
|
1.0
|
C
|
D:CYS70
|
4.6
|
1.5
|
1.0
|
CG
|
D:LYS74
|
4.6
|
84.3
|
1.0
|
C
|
D:LEU71
|
4.7
|
64.8
|
1.0
|
C
|
D:CYS72
|
4.7
|
72.1
|
1.0
|
CD1
|
D:TYR75
|
4.8
|
45.0
|
1.0
|
CA
|
D:CYS88
|
4.8
|
1.0
|
1.0
|
CA
|
D:LEU71
|
4.8
|
56.4
|
1.0
|
C
|
D:CYS88
|
4.9
|
99.1
|
1.0
|
|
Zinc binding site 2 out
of 4 in 4kn7
Go back to
Zinc Binding Sites List in 4kn7
Zinc binding site 2 out
of 4 in the X-Ray Crystal Structure of the Escherichia Coli Rna Polymerase in Complex with Benzoxazinorifamycin-2C
 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-2C within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Zn1502
b:8.6
occ:1.00
|
SG
|
D:CYS898
|
2.3
|
9.1
|
1.0
|
SG
|
D:CYS888
|
2.3
|
2.5
|
1.0
|
CB
|
D:CYS895
|
2.3
|
26.6
|
1.0
|
SG
|
D:CYS814
|
2.6
|
8.5
|
1.0
|
CB
|
D:CYS888
|
3.1
|
2.2
|
1.0
|
SG
|
D:CYS895
|
3.1
|
34.4
|
1.0
|
CB
|
D:CYS898
|
3.3
|
0.0
|
1.0
|
CA
|
D:CYS888
|
3.6
|
20.8
|
1.0
|
CA
|
D:CYS895
|
3.7
|
42.6
|
1.0
|
N
|
D:CYS895
|
3.9
|
42.8
|
1.0
|
CB
|
D:CYS814
|
4.2
|
40.9
|
1.0
|
C
|
D:CYS888
|
4.2
|
36.1
|
1.0
|
N
|
D:ASP889
|
4.4
|
6.2
|
1.0
|
CA
|
D:CYS898
|
4.5
|
0.9
|
1.0
|
O
|
D:GLY815
|
4.5
|
11.2
|
1.0
|
C
|
D:CYS895
|
4.6
|
51.6
|
1.0
|
N
|
D:CYS898
|
4.6
|
0.2
|
1.0
|
O
|
D:CYS895
|
4.8
|
68.6
|
1.0
|
N
|
D:CYS814
|
4.8
|
34.6
|
1.0
|
N
|
D:CYS888
|
4.8
|
48.0
|
1.0
|
N
|
D:THR890
|
4.9
|
78.8
|
1.0
|
CA
|
D:CYS814
|
4.9
|
28.6
|
1.0
|
CB
|
D:THR890
|
4.9
|
1.4
|
1.0
|
|
Zinc binding site 3 out
of 4 in 4kn7
Go back to
Zinc Binding Sites List in 4kn7
Zinc binding site 3 out
of 4 in the X-Ray Crystal Structure of the Escherichia Coli Rna Polymerase in Complex with Benzoxazinorifamycin-2C
 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-2C within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
I:Zn1501
b:60.2
occ:1.00
|
SG
|
I:CYS72
|
2.4
|
61.3
|
1.0
|
SG
|
I:CYS88
|
2.4
|
0.3
|
1.0
|
SG
|
I:CYS85
|
2.5
|
0.2
|
1.0
|
SG
|
I:CYS70
|
2.6
|
0.9
|
1.0
|
CB
|
I:CYS85
|
3.1
|
20.9
|
1.0
|
CB
|
I:CYS70
|
3.5
|
50.9
|
1.0
|
N
|
I:CYS72
|
3.6
|
0.8
|
1.0
|
CB
|
I:CYS72
|
3.7
|
63.5
|
1.0
|
O
|
I:CYS88
|
4.0
|
0.3
|
1.0
|
CB
|
I:CYS88
|
4.1
|
0.5
|
1.0
|
N
|
I:LEU71
|
4.1
|
66.7
|
1.0
|
N
|
I:CYS88
|
4.2
|
0.2
|
1.0
|
CA
|
I:CYS72
|
4.2
|
0.6
|
1.0
|
N
|
I:GLY73
|
4.3
|
38.2
|
1.0
|
CA
|
I:CYS88
|
4.6
|
0.8
|
1.0
|
C
|
I:LEU71
|
4.6
|
60.2
|
1.0
|
CA
|
I:CYS85
|
4.6
|
54.6
|
1.0
|
C
|
I:CYS70
|
4.7
|
76.7
|
1.0
|
CA
|
I:CYS70
|
4.7
|
79.6
|
1.0
|
CA
|
I:LEU71
|
4.7
|
29.1
|
1.0
|
N
|
I:LYS74
|
4.7
|
97.3
|
1.0
|
C
|
I:CYS88
|
4.8
|
0.4
|
1.0
|
CB
|
I:LEU71
|
4.8
|
0.9
|
1.0
|
C
|
I:CYS72
|
4.8
|
0.2
|
1.0
|
CD1
|
I:TYR75
|
4.9
|
5.2
|
1.0
|
CB
|
I:LYS87
|
4.9
|
26.2
|
1.0
|
CB
|
I:LYS74
|
4.9
|
69.5
|
1.0
|
|
Zinc binding site 4 out
of 4 in 4kn7
Go back to
Zinc Binding Sites List in 4kn7
Zinc binding site 4 out
of 4 in the X-Ray Crystal Structure of the Escherichia Coli Rna Polymerase in Complex with Benzoxazinorifamycin-2C
 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-2C within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
I:Zn1502
b:49.6
occ:1.00
|
CB
|
I:CYS895
|
2.3
|
15.5
|
1.0
|
SG
|
I:CYS898
|
2.3
|
4.2
|
1.0
|
SG
|
I:CYS888
|
2.4
|
30.0
|
1.0
|
SG
|
I:CYS814
|
2.4
|
80.3
|
1.0
|
SG
|
I:CYS895
|
2.8
|
60.0
|
1.0
|
CB
|
I:CYS888
|
3.4
|
15.3
|
1.0
|
CB
|
I:CYS898
|
3.5
|
6.2
|
1.0
|
CA
|
I:CYS895
|
3.7
|
91.4
|
1.0
|
CB
|
I:CYS814
|
4.0
|
0.1
|
1.0
|
CA
|
I:CYS888
|
4.0
|
53.3
|
1.0
|
O
|
I:GLY815
|
4.2
|
0.4
|
1.0
|
N
|
I:CYS895
|
4.2
|
0.2
|
1.0
|
NH2
|
I:ARG883
|
4.5
|
45.0
|
1.0
|
N
|
I:CYS898
|
4.5
|
29.4
|
1.0
|
N
|
I:CYS814
|
4.5
|
50.7
|
1.0
|
CA
|
I:CYS898
|
4.6
|
22.9
|
1.0
|
C
|
I:CYS895
|
4.6
|
85.0
|
1.0
|
C
|
I:CYS888
|
4.6
|
59.0
|
1.0
|
CA
|
I:CYS814
|
4.7
|
48.7
|
1.0
|
N
|
I:ASP889
|
4.7
|
43.0
|
1.0
|
CG2
|
I:THR816
|
4.8
|
70.3
|
1.0
|
C
|
I:CYS814
|
4.8
|
66.4
|
1.0
|
O
|
I:CYS895
|
4.9
|
97.4
|
1.0
|
O
|
I:CYS814
|
4.9
|
82.8
|
1.0
|
CB
|
I:THR890
|
5.0
|
2.4
|
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 01:17:16 2024
|