Fluorine in PDB 4xsy: Crystal Structure of Cbr 9379 Bound to Escherichia Coli Rna Polymerase Holoenzyme
Enzymatic activity of Crystal Structure of Cbr 9379 Bound to Escherichia Coli Rna Polymerase Holoenzyme
All present enzymatic activity of Crystal Structure of Cbr 9379 Bound to Escherichia Coli Rna Polymerase Holoenzyme:
2.7.7.6;
Protein crystallography data
The structure of Crystal Structure of Cbr 9379 Bound to Escherichia Coli Rna Polymerase Holoenzyme, PDB code: 4xsy
was solved by
B.Bae,
S.A.Darst,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
40.36 /
4.01
|
Space group
|
P 21 21 21
|
Cell size a, b, c (Å), α, β, γ (°)
|
185.394,
206.773,
310.269,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
23.5 /
27
|
Other elements in 4xsy:
The structure of Crystal Structure of Cbr 9379 Bound to Escherichia Coli Rna Polymerase Holoenzyme also contains other interesting chemical elements:
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Crystal Structure of Cbr 9379 Bound to Escherichia Coli Rna Polymerase Holoenzyme
(pdb code 4xsy). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 6 binding sites of Fluorine where determined in the
Crystal Structure of Cbr 9379 Bound to Escherichia Coli Rna Polymerase Holoenzyme, PDB code: 4xsy:
Jump to Fluorine binding site number:
1;
2;
3;
4;
5;
6;
Fluorine binding site 1 out
of 6 in 4xsy
Go back to
Fluorine Binding Sites List in 4xsy
Fluorine binding site 1 out
of 6 in the Crystal Structure of Cbr 9379 Bound to Escherichia Coli Rna Polymerase Holoenzyme
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 1 of Crystal Structure of Cbr 9379 Bound to Escherichia Coli Rna Polymerase Holoenzyme within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:F1401
b:71.3
occ:1.00
|
F16
|
C:42T1401
|
0.0
|
71.3
|
1.0
|
C07
|
C:42T1401
|
1.3
|
67.3
|
1.0
|
F17
|
C:42T1401
|
2.0
|
82.3
|
1.0
|
F18
|
C:42T1401
|
2.1
|
65.0
|
1.0
|
C11
|
C:42T1401
|
2.4
|
69.1
|
1.0
|
C10
|
C:42T1401
|
3.1
|
73.8
|
1.0
|
C12
|
C:42T1401
|
3.3
|
81.9
|
1.0
|
CB
|
D:HIS777
|
3.5
|
48.8
|
1.0
|
CD
|
D:PRO750
|
3.9
|
44.4
|
1.0
|
CG
|
D:HIS777
|
4.0
|
43.8
|
1.0
|
CD2
|
D:HIS777
|
4.1
|
49.0
|
1.0
|
CA
|
D:LYS749
|
4.2
|
55.1
|
1.0
|
O
|
D:ILE774
|
4.3
|
63.4
|
1.0
|
C09
|
C:42T1401
|
4.4
|
95.8
|
1.0
|
C13
|
C:42T1401
|
4.5
|
95.2
|
1.0
|
CA
|
D:ILE774
|
4.5
|
52.3
|
1.0
|
CB
|
D:LYS749
|
4.7
|
62.7
|
1.0
|
O
|
D:PHE773
|
4.8
|
44.9
|
1.0
|
CG
|
D:PRO750
|
4.8
|
48.0
|
1.0
|
C
|
D:ILE774
|
4.9
|
56.3
|
1.0
|
CG2
|
D:ILE774
|
4.9
|
36.9
|
1.0
|
CA
|
D:HIS777
|
4.9
|
47.4
|
1.0
|
C14
|
C:42T1401
|
4.9
|
0.2
|
1.0
|
N
|
D:PRO750
|
4.9
|
55.1
|
1.0
|
N
|
D:LYS749
|
5.0
|
50.4
|
1.0
|
O
|
D:ALA748
|
5.0
|
52.0
|
1.0
|
|
Fluorine binding site 2 out
of 6 in 4xsy
Go back to
Fluorine Binding Sites List in 4xsy
Fluorine binding site 2 out
of 6 in the Crystal Structure of Cbr 9379 Bound to Escherichia Coli Rna Polymerase Holoenzyme
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 2 of Crystal Structure of Cbr 9379 Bound to Escherichia Coli Rna Polymerase Holoenzyme within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:F1401
b:82.3
occ:1.00
|
F17
|
C:42T1401
|
0.0
|
82.3
|
1.0
|
C07
|
C:42T1401
|
1.3
|
67.3
|
1.0
|
F16
|
C:42T1401
|
2.0
|
71.3
|
1.0
|
F18
|
C:42T1401
|
2.1
|
65.0
|
1.0
|
C11
|
C:42T1401
|
2.3
|
69.1
|
1.0
|
C12
|
C:42T1401
|
2.6
|
81.9
|
1.0
|
CD
|
D:PRO750
|
3.5
|
44.4
|
1.0
|
C10
|
C:42T1401
|
3.5
|
73.8
|
1.0
|
O
|
C:VAL550
|
3.7
|
45.8
|
1.0
|
C13
|
C:42T1401
|
4.0
|
95.2
|
1.0
|
CG
|
D:PRO750
|
4.0
|
48.0
|
1.0
|
CD
|
C:PRO552
|
4.2
|
59.6
|
1.0
|
CB
|
D:HIS777
|
4.3
|
48.8
|
1.0
|
O16
|
C:42T1401
|
4.4
|
86.4
|
1.0
|
CG
|
C:PRO552
|
4.5
|
80.7
|
1.0
|
CG1
|
C:VAL550
|
4.5
|
43.7
|
1.0
|
C
|
C:VAL550
|
4.6
|
41.9
|
1.0
|
CG
|
D:HIS777
|
4.6
|
43.8
|
1.0
|
CE1
|
D:PHE773
|
4.7
|
50.5
|
1.0
|
C09
|
C:42T1401
|
4.7
|
95.8
|
1.0
|
N
|
C:PRO552
|
4.7
|
43.0
|
1.0
|
N14
|
C:42T1401
|
4.8
|
95.1
|
1.0
|
C14
|
C:42T1401
|
4.8
|
0.2
|
1.0
|
CG2
|
C:VAL550
|
4.9
|
60.8
|
1.0
|
N
|
D:PRO750
|
4.9
|
55.1
|
1.0
|
C
|
C:HIS551
|
4.9
|
43.6
|
1.0
|
CA
|
C:HIS551
|
5.0
|
51.6
|
1.0
|
CA
|
D:LYS749
|
5.0
|
55.1
|
1.0
|
C15
|
C:42T1401
|
5.0
|
92.3
|
1.0
|
|
Fluorine binding site 3 out
of 6 in 4xsy
Go back to
Fluorine Binding Sites List in 4xsy
Fluorine binding site 3 out
of 6 in the Crystal Structure of Cbr 9379 Bound to Escherichia Coli Rna Polymerase Holoenzyme
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 3 of Crystal Structure of Cbr 9379 Bound to Escherichia Coli Rna Polymerase Holoenzyme within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:F1401
b:65.0
occ:1.00
|
F18
|
C:42T1401
|
0.0
|
65.0
|
1.0
|
C07
|
C:42T1401
|
1.3
|
67.3
|
1.0
|
F16
|
C:42T1401
|
2.1
|
71.3
|
1.0
|
F17
|
C:42T1401
|
2.1
|
82.3
|
1.0
|
C11
|
C:42T1401
|
2.3
|
69.1
|
1.0
|
C10
|
C:42T1401
|
2.8
|
73.8
|
1.0
|
CE1
|
D:PHE773
|
3.3
|
50.5
|
1.0
|
CD1
|
D:PHE773
|
3.3
|
55.3
|
1.0
|
C12
|
C:42T1401
|
3.5
|
81.9
|
1.0
|
O
|
D:PHE773
|
4.0
|
44.9
|
1.0
|
C09
|
C:42T1401
|
4.2
|
95.8
|
1.0
|
CA
|
D:ILE774
|
4.4
|
52.3
|
1.0
|
C
|
D:PHE773
|
4.5
|
40.6
|
1.0
|
C13
|
C:42T1401
|
4.6
|
95.2
|
1.0
|
CZ
|
D:PHE773
|
4.6
|
43.0
|
1.0
|
CB
|
D:HIS777
|
4.7
|
48.8
|
1.0
|
CG
|
D:PHE773
|
4.7
|
40.1
|
1.0
|
N
|
D:ILE774
|
4.7
|
48.1
|
1.0
|
C05
|
C:42T1401
|
4.8
|
69.3
|
1.0
|
C14
|
C:42T1401
|
4.9
|
0.2
|
1.0
|
C06
|
C:42T1401
|
4.9
|
68.8
|
1.0
|
CG2
|
C:VAL550
|
4.9
|
60.8
|
1.0
|
C04
|
C:42T1401
|
4.9
|
81.2
|
1.0
|
|
Fluorine binding site 4 out
of 6 in 4xsy
Go back to
Fluorine Binding Sites List in 4xsy
Fluorine binding site 4 out
of 6 in the Crystal Structure of Cbr 9379 Bound to Escherichia Coli Rna Polymerase Holoenzyme
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 4 of Crystal Structure of Cbr 9379 Bound to Escherichia Coli Rna Polymerase Holoenzyme within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
J:F1501
b:84.7
occ:1.00
|
F16
|
J:42T1501
|
0.0
|
84.7
|
1.0
|
C07
|
J:42T1501
|
1.3
|
94.0
|
1.0
|
F17
|
J:42T1501
|
2.0
|
72.7
|
1.0
|
F18
|
J:42T1501
|
2.1
|
75.9
|
1.0
|
C11
|
J:42T1501
|
2.4
|
0.2
|
1.0
|
C10
|
J:42T1501
|
3.1
|
0.8
|
1.0
|
C12
|
J:42T1501
|
3.3
|
0.5
|
1.0
|
CB
|
J:HIS777
|
3.5
|
62.2
|
1.0
|
CD
|
J:PRO750
|
3.9
|
97.6
|
1.0
|
CG
|
J:HIS777
|
4.0
|
68.0
|
1.0
|
CD2
|
J:HIS777
|
4.1
|
93.4
|
1.0
|
CA
|
J:LYS749
|
4.3
|
0.7
|
1.0
|
O
|
J:ILE774
|
4.3
|
75.6
|
1.0
|
C09
|
J:42T1501
|
4.4
|
91.8
|
1.0
|
C13
|
J:42T1501
|
4.5
|
0.0
|
1.0
|
CA
|
J:ILE774
|
4.5
|
69.8
|
1.0
|
CB
|
J:LYS749
|
4.7
|
0.8
|
1.0
|
O
|
J:PHE773
|
4.8
|
68.9
|
1.0
|
CG
|
J:PRO750
|
4.8
|
1.0
|
1.0
|
CA
|
J:HIS777
|
4.9
|
62.1
|
1.0
|
C
|
J:ILE774
|
4.9
|
67.4
|
1.0
|
CG2
|
J:ILE774
|
4.9
|
42.2
|
1.0
|
N
|
J:PRO750
|
4.9
|
1.0
|
1.0
|
C14
|
J:42T1501
|
4.9
|
0.3
|
1.0
|
N
|
J:LYS749
|
5.0
|
0.7
|
1.0
|
O
|
J:ALA748
|
5.0
|
0.9
|
1.0
|
|
Fluorine binding site 5 out
of 6 in 4xsy
Go back to
Fluorine Binding Sites List in 4xsy
Fluorine binding site 5 out
of 6 in the Crystal Structure of Cbr 9379 Bound to Escherichia Coli Rna Polymerase Holoenzyme
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 5 of Crystal Structure of Cbr 9379 Bound to Escherichia Coli Rna Polymerase Holoenzyme within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
J:F1501
b:72.7
occ:1.00
|
F17
|
J:42T1501
|
0.0
|
72.7
|
1.0
|
C07
|
J:42T1501
|
1.3
|
94.0
|
1.0
|
F16
|
J:42T1501
|
2.0
|
84.7
|
1.0
|
F18
|
J:42T1501
|
2.1
|
75.9
|
1.0
|
C11
|
J:42T1501
|
2.3
|
0.2
|
1.0
|
C12
|
J:42T1501
|
2.7
|
0.5
|
1.0
|
CD
|
J:PRO750
|
3.5
|
97.6
|
1.0
|
C10
|
J:42T1501
|
3.6
|
0.8
|
1.0
|
O
|
I:VAL550
|
3.7
|
81.7
|
1.0
|
CG
|
J:PRO750
|
4.0
|
1.0
|
1.0
|
C13
|
J:42T1501
|
4.0
|
0.0
|
1.0
|
CD
|
I:PRO552
|
4.2
|
70.7
|
1.0
|
CB
|
J:HIS777
|
4.3
|
62.2
|
1.0
|
O16
|
J:42T1501
|
4.4
|
0.4
|
1.0
|
CG1
|
I:VAL550
|
4.5
|
58.8
|
1.0
|
CG
|
I:PRO552
|
4.5
|
71.4
|
1.0
|
C
|
I:VAL550
|
4.5
|
71.1
|
1.0
|
CG
|
J:HIS777
|
4.6
|
68.0
|
1.0
|
CE1
|
J:PHE773
|
4.7
|
53.1
|
1.0
|
N
|
I:PRO552
|
4.7
|
58.8
|
1.0
|
C09
|
J:42T1501
|
4.7
|
91.8
|
1.0
|
N14
|
J:42T1501
|
4.8
|
0.3
|
1.0
|
C14
|
J:42T1501
|
4.9
|
0.3
|
1.0
|
CG2
|
I:VAL550
|
4.9
|
51.8
|
1.0
|
N
|
J:PRO750
|
4.9
|
1.0
|
1.0
|
C
|
I:HIS551
|
4.9
|
62.0
|
1.0
|
CA
|
I:HIS551
|
5.0
|
68.2
|
1.0
|
CA
|
J:LYS749
|
5.0
|
0.7
|
1.0
|
|
Fluorine binding site 6 out
of 6 in 4xsy
Go back to
Fluorine Binding Sites List in 4xsy
Fluorine binding site 6 out
of 6 in the Crystal Structure of Cbr 9379 Bound to Escherichia Coli Rna Polymerase Holoenzyme
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 6 of Crystal Structure of Cbr 9379 Bound to Escherichia Coli Rna Polymerase Holoenzyme within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
J:F1501
b:75.9
occ:1.00
|
F18
|
J:42T1501
|
0.0
|
75.9
|
1.0
|
C07
|
J:42T1501
|
1.3
|
94.0
|
1.0
|
F16
|
J:42T1501
|
2.1
|
84.7
|
1.0
|
F17
|
J:42T1501
|
2.1
|
72.7
|
1.0
|
C11
|
J:42T1501
|
2.3
|
0.2
|
1.0
|
C10
|
J:42T1501
|
2.8
|
0.8
|
1.0
|
CE1
|
J:PHE773
|
3.3
|
53.1
|
1.0
|
CD1
|
J:PHE773
|
3.3
|
58.4
|
1.0
|
C12
|
J:42T1501
|
3.5
|
0.5
|
1.0
|
O
|
J:PHE773
|
4.0
|
68.9
|
1.0
|
C09
|
J:42T1501
|
4.2
|
91.8
|
1.0
|
CA
|
J:ILE774
|
4.4
|
69.8
|
1.0
|
C
|
J:PHE773
|
4.5
|
72.6
|
1.0
|
CZ
|
J:PHE773
|
4.6
|
62.5
|
1.0
|
CB
|
J:HIS777
|
4.6
|
62.2
|
1.0
|
C13
|
J:42T1501
|
4.6
|
0.0
|
1.0
|
CG
|
J:PHE773
|
4.7
|
67.3
|
1.0
|
N
|
J:ILE774
|
4.7
|
76.3
|
1.0
|
C05
|
J:42T1501
|
4.8
|
93.5
|
1.0
|
C14
|
J:42T1501
|
4.9
|
0.3
|
1.0
|
CG2
|
I:VAL550
|
4.9
|
51.8
|
1.0
|
C06
|
J:42T1501
|
4.9
|
65.3
|
1.0
|
C04
|
J:42T1501
|
5.0
|
90.5
|
1.0
|
|
Reference:
B.Bae,
D.Nayak,
A.Ray,
A.Mustaev,
R.Landick,
S.A.Darst.
Cbr Antimicrobials Inhibit Rna Polymerase Via at Least Two Bridge-Helix Cap-Mediated Effects on Nucleotide Addition. Proc.Natl.Acad.Sci.Usa V. 112 E4178 2015.
ISSN: ESSN 1091-6490
PubMed: 26195788
DOI: 10.1073/PNAS.1502368112
Page generated: Thu Aug 1 06:45:29 2024
|