Fluorine in PDB 4zh2: Crystal Structure of Escherichia Coli Rna Polymerase in Complex with CBR703
Enzymatic activity of Crystal Structure of Escherichia Coli Rna Polymerase in Complex with CBR703
All present enzymatic activity of Crystal Structure of Escherichia Coli Rna Polymerase in Complex with CBR703:
2.7.7.6;
Protein crystallography data
The structure of Crystal Structure of Escherichia Coli Rna Polymerase in Complex with CBR703, PDB code: 4zh2
was solved by
Y.Feng,
R.H.Ebright,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
49.76 /
4.20
|
Space group
|
P 21 21 21
|
Cell size a, b, c (Å), α, β, γ (°)
|
185.792,
205.829,
307.457,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
26.6 /
28.9
|
Other elements in 4zh2:
The structure of Crystal Structure of Escherichia Coli Rna Polymerase in Complex with CBR703 also contains other interesting chemical elements:
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Crystal Structure of Escherichia Coli Rna Polymerase in Complex with CBR703
(pdb code 4zh2). 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 Escherichia Coli Rna Polymerase in Complex with CBR703, PDB code: 4zh2:
Jump to Fluorine binding site number:
1;
2;
3;
4;
5;
6;
Fluorine binding site 1 out
of 6 in 4zh2
Go back to
Fluorine Binding Sites List in 4zh2
Fluorine binding site 1 out
of 6 in the Crystal Structure of Escherichia Coli Rna Polymerase in Complex with CBR703
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 Escherichia Coli Rna Polymerase in Complex with CBR703 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:F2001
b:50.4
occ:1.00
|
FAB
|
C:4OB2001
|
0.0
|
50.4
|
1.0
|
CAT
|
C:4OB2001
|
1.3
|
54.0
|
1.0
|
FAD
|
C:4OB2001
|
2.1
|
60.1
|
1.0
|
FAC
|
C:4OB2001
|
2.1
|
60.5
|
1.0
|
CAS
|
C:4OB2001
|
2.2
|
60.9
|
1.0
|
CAL
|
C:4OB2001
|
2.7
|
72.3
|
1.0
|
CAM
|
C:4OB2001
|
3.3
|
75.9
|
1.0
|
O
|
C:VAL550
|
3.3
|
26.6
|
1.0
|
CAH
|
C:4OB2001
|
4.0
|
77.3
|
1.0
|
N
|
C:PRO552
|
4.0
|
48.1
|
1.0
|
CD
|
C:PRO552
|
4.0
|
75.5
|
1.0
|
C
|
C:HIS551
|
4.2
|
44.0
|
1.0
|
CE2
|
D:PHE773
|
4.2
|
51.5
|
1.0
|
CG
|
C:PRO552
|
4.2
|
84.7
|
1.0
|
C
|
C:VAL550
|
4.3
|
34.6
|
1.0
|
CA
|
C:PRO552
|
4.3
|
46.0
|
1.0
|
CAR
|
C:4OB2001
|
4.4
|
84.1
|
1.0
|
CD
|
D:PRO750
|
4.4
|
58.9
|
1.0
|
O
|
C:HIS551
|
4.5
|
49.8
|
1.0
|
CG2
|
C:VAL550
|
4.5
|
28.5
|
1.0
|
CG
|
D:PRO750
|
4.6
|
60.7
|
1.0
|
CG1
|
C:VAL550
|
4.7
|
40.9
|
1.0
|
CAK
|
C:4OB2001
|
4.7
|
76.9
|
1.0
|
CA
|
C:HIS551
|
4.7
|
42.8
|
1.0
|
CD2
|
D:PHE773
|
4.7
|
53.5
|
1.0
|
CB
|
C:PRO552
|
4.8
|
56.7
|
1.0
|
N
|
C:HIS551
|
4.9
|
57.7
|
1.0
|
CB
|
D:HIS777
|
4.9
|
59.1
|
1.0
|
|
Fluorine binding site 2 out
of 6 in 4zh2
Go back to
Fluorine Binding Sites List in 4zh2
Fluorine binding site 2 out
of 6 in the Crystal Structure of Escherichia Coli Rna Polymerase in Complex with CBR703
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 Escherichia Coli Rna Polymerase in Complex with CBR703 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:F2001
b:60.5
occ:1.00
|
FAC
|
C:4OB2001
|
0.0
|
60.5
|
1.0
|
CAT
|
C:4OB2001
|
1.3
|
54.0
|
1.0
|
FAD
|
C:4OB2001
|
2.1
|
60.1
|
1.0
|
FAB
|
C:4OB2001
|
2.1
|
50.4
|
1.0
|
CAS
|
C:4OB2001
|
2.2
|
60.9
|
1.0
|
CAM
|
C:4OB2001
|
2.7
|
75.9
|
1.0
|
CAL
|
C:4OB2001
|
3.5
|
72.3
|
1.0
|
CA
|
D:ILE774
|
3.8
|
67.4
|
1.0
|
CAR
|
C:4OB2001
|
4.0
|
84.1
|
1.0
|
CB
|
D:HIS777
|
4.1
|
59.1
|
1.0
|
O
|
D:PHE773
|
4.2
|
93.7
|
1.0
|
CG1
|
D:ILE774
|
4.2
|
43.9
|
1.0
|
CD2
|
D:PHE773
|
4.3
|
53.5
|
1.0
|
CB
|
D:ILE774
|
4.4
|
52.9
|
1.0
|
O
|
D:ILE774
|
4.4
|
79.8
|
1.0
|
CG2
|
D:ILE774
|
4.4
|
66.9
|
1.0
|
CE2
|
D:PHE773
|
4.5
|
51.5
|
1.0
|
N
|
D:ILE774
|
4.5
|
51.3
|
1.0
|
C
|
D:ILE774
|
4.6
|
78.6
|
1.0
|
CAH
|
C:4OB2001
|
4.6
|
77.3
|
1.0
|
C
|
D:PHE773
|
4.7
|
57.4
|
1.0
|
CAK
|
C:4OB2001
|
4.8
|
76.9
|
1.0
|
CG
|
D:HIS777
|
4.9
|
56.1
|
1.0
|
O
|
C:VAL550
|
4.9
|
26.6
|
1.0
|
CAP
|
C:4OB2001
|
5.0
|
98.1
|
1.0
|
|
Fluorine binding site 3 out
of 6 in 4zh2
Go back to
Fluorine Binding Sites List in 4zh2
Fluorine binding site 3 out
of 6 in the Crystal Structure of Escherichia Coli Rna Polymerase in Complex with CBR703
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 Escherichia Coli Rna Polymerase in Complex with CBR703 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:F2001
b:60.1
occ:1.00
|
FAD
|
C:4OB2001
|
0.0
|
60.1
|
1.0
|
CAT
|
C:4OB2001
|
1.3
|
54.0
|
1.0
|
FAB
|
C:4OB2001
|
2.1
|
50.4
|
1.0
|
FAC
|
C:4OB2001
|
2.1
|
60.5
|
1.0
|
CAS
|
C:4OB2001
|
2.2
|
60.9
|
1.0
|
CAL
|
C:4OB2001
|
2.7
|
72.3
|
1.0
|
CD
|
D:PRO750
|
3.0
|
58.9
|
1.0
|
CAM
|
C:4OB2001
|
3.3
|
75.9
|
1.0
|
CA
|
D:LYS749
|
3.5
|
65.3
|
1.0
|
CG
|
D:PRO750
|
3.6
|
60.7
|
1.0
|
CB
|
D:LYS749
|
3.7
|
65.2
|
1.0
|
N
|
D:PRO750
|
3.8
|
72.0
|
1.0
|
CAH
|
C:4OB2001
|
4.0
|
77.3
|
1.0
|
C
|
D:LYS749
|
4.1
|
50.4
|
1.0
|
CB
|
D:HIS777
|
4.1
|
59.1
|
1.0
|
CG
|
D:HIS777
|
4.3
|
56.1
|
1.0
|
O
|
C:VAL550
|
4.3
|
26.6
|
1.0
|
CAR
|
C:4OB2001
|
4.4
|
84.1
|
1.0
|
CD2
|
D:HIS777
|
4.6
|
69.1
|
1.0
|
CAK
|
C:4OB2001
|
4.7
|
76.9
|
1.0
|
N
|
D:LYS749
|
4.7
|
26.5
|
1.0
|
CB
|
D:PRO750
|
5.0
|
65.7
|
1.0
|
CA
|
D:PRO750
|
5.0
|
81.8
|
1.0
|
ND1
|
D:HIS777
|
5.0
|
71.5
|
1.0
|
|
Fluorine binding site 4 out
of 6 in 4zh2
Go back to
Fluorine Binding Sites List in 4zh2
Fluorine binding site 4 out
of 6 in the Crystal Structure of Escherichia Coli Rna Polymerase in Complex with CBR703
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 Escherichia Coli Rna Polymerase in Complex with CBR703 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
I:F2001
b:0.4
occ:1.00
|
FAB
|
I:4OB2001
|
0.0
|
0.4
|
1.0
|
CAT
|
I:4OB2001
|
1.3
|
0.9
|
1.0
|
FAD
|
I:4OB2001
|
2.1
|
0.8
|
1.0
|
FAC
|
I:4OB2001
|
2.1
|
1.0
|
1.0
|
CAS
|
I:4OB2001
|
2.2
|
0.5
|
1.0
|
CAL
|
I:4OB2001
|
2.7
|
0.4
|
1.0
|
CAM
|
I:4OB2001
|
3.3
|
0.1
|
1.0
|
O
|
I:VAL550
|
3.6
|
99.5
|
1.0
|
CE1
|
J:PHE773
|
3.8
|
90.1
|
1.0
|
CAH
|
I:4OB2001
|
4.0
|
0.5
|
1.0
|
CD
|
I:PRO552
|
4.1
|
40.5
|
1.0
|
N
|
I:PRO552
|
4.1
|
45.7
|
1.0
|
CG
|
I:PRO552
|
4.2
|
74.8
|
1.0
|
C
|
I:HIS551
|
4.3
|
99.3
|
1.0
|
CD1
|
J:PHE773
|
4.4
|
96.8
|
1.0
|
CA
|
I:PRO552
|
4.4
|
33.6
|
1.0
|
CD
|
J:PRO750
|
4.4
|
63.0
|
1.0
|
CAR
|
I:4OB2001
|
4.4
|
0.8
|
1.0
|
CB
|
J:HIS777
|
4.6
|
0.4
|
1.0
|
C
|
I:VAL550
|
4.6
|
75.2
|
1.0
|
CG
|
J:PRO750
|
4.6
|
64.8
|
1.0
|
O
|
I:HIS551
|
4.6
|
99.8
|
1.0
|
CAK
|
I:4OB2001
|
4.7
|
1.0
|
1.0
|
CZ
|
J:PHE773
|
4.7
|
57.8
|
1.0
|
CB
|
I:PRO552
|
4.8
|
38.6
|
1.0
|
CG2
|
I:VAL550
|
4.9
|
96.0
|
1.0
|
CA
|
I:HIS551
|
4.9
|
94.0
|
1.0
|
CG1
|
I:VAL550
|
5.0
|
70.5
|
1.0
|
|
Fluorine binding site 5 out
of 6 in 4zh2
Go back to
Fluorine Binding Sites List in 4zh2
Fluorine binding site 5 out
of 6 in the Crystal Structure of Escherichia Coli Rna Polymerase in Complex with CBR703
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 Escherichia Coli Rna Polymerase in Complex with CBR703 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
I:F2001
b:1.0
occ:1.00
|
FAC
|
I:4OB2001
|
0.0
|
1.0
|
1.0
|
CAT
|
I:4OB2001
|
1.3
|
0.9
|
1.0
|
FAD
|
I:4OB2001
|
2.1
|
0.8
|
1.0
|
FAB
|
I:4OB2001
|
2.1
|
0.4
|
1.0
|
CAS
|
I:4OB2001
|
2.2
|
0.5
|
1.0
|
CAM
|
I:4OB2001
|
2.7
|
0.1
|
1.0
|
CAL
|
I:4OB2001
|
3.5
|
0.4
|
1.0
|
CA
|
J:ILE774
|
3.8
|
0.9
|
1.0
|
CB
|
J:HIS777
|
3.9
|
0.4
|
1.0
|
O
|
J:PHE773
|
3.9
|
79.4
|
1.0
|
CD1
|
J:PHE773
|
4.0
|
96.8
|
1.0
|
O
|
J:ILE774
|
4.0
|
0.5
|
1.0
|
CAR
|
I:4OB2001
|
4.0
|
0.8
|
1.0
|
CE1
|
J:PHE773
|
4.1
|
90.1
|
1.0
|
C
|
J:ILE774
|
4.3
|
1.0
|
1.0
|
C
|
J:PHE773
|
4.5
|
80.9
|
1.0
|
N
|
J:ILE774
|
4.5
|
0.4
|
1.0
|
CAH
|
I:4OB2001
|
4.6
|
0.5
|
1.0
|
CB
|
J:ILE774
|
4.7
|
0.1
|
1.0
|
CG2
|
J:ILE774
|
4.8
|
0.1
|
1.0
|
N
|
J:HIS777
|
4.8
|
0.1
|
1.0
|
CAK
|
I:4OB2001
|
4.8
|
1.0
|
1.0
|
CG1
|
J:ILE774
|
4.9
|
0.4
|
1.0
|
CG
|
J:HIS777
|
4.9
|
0.4
|
1.0
|
CAP
|
I:4OB2001
|
5.0
|
0.5
|
1.0
|
CA
|
J:HIS777
|
5.0
|
0.3
|
1.0
|
|
Fluorine binding site 6 out
of 6 in 4zh2
Go back to
Fluorine Binding Sites List in 4zh2
Fluorine binding site 6 out
of 6 in the Crystal Structure of Escherichia Coli Rna Polymerase in Complex with CBR703
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 Escherichia Coli Rna Polymerase in Complex with CBR703 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
I:F2001
b:0.8
occ:1.00
|
FAD
|
I:4OB2001
|
0.0
|
0.8
|
1.0
|
CAT
|
I:4OB2001
|
1.3
|
0.9
|
1.0
|
FAB
|
I:4OB2001
|
2.1
|
0.4
|
1.0
|
FAC
|
I:4OB2001
|
2.1
|
1.0
|
1.0
|
CAS
|
I:4OB2001
|
2.2
|
0.5
|
1.0
|
CAL
|
I:4OB2001
|
2.7
|
0.4
|
1.0
|
CD
|
J:PRO750
|
3.0
|
63.0
|
1.0
|
CAM
|
I:4OB2001
|
3.3
|
0.1
|
1.0
|
CA
|
J:LYS749
|
3.5
|
0.3
|
1.0
|
CG
|
J:PRO750
|
3.7
|
64.8
|
1.0
|
CB
|
J:LYS749
|
3.7
|
0.2
|
1.0
|
CB
|
J:HIS777
|
3.8
|
0.4
|
1.0
|
N
|
J:PRO750
|
3.8
|
76.2
|
1.0
|
CAH
|
I:4OB2001
|
4.0
|
0.5
|
1.0
|
C
|
J:LYS749
|
4.0
|
0.4
|
1.0
|
CG
|
J:HIS777
|
4.1
|
0.4
|
1.0
|
CD2
|
J:HIS777
|
4.4
|
0.9
|
1.0
|
CAR
|
I:4OB2001
|
4.4
|
0.8
|
1.0
|
O
|
I:VAL550
|
4.6
|
99.5
|
1.0
|
N
|
J:LYS749
|
4.7
|
77.5
|
1.0
|
CAK
|
I:4OB2001
|
4.7
|
1.0
|
1.0
|
ND1
|
J:HIS777
|
4.9
|
0.8
|
1.0
|
CA
|
J:PRO750
|
5.0
|
86.0
|
1.0
|
CB
|
J:PRO750
|
5.0
|
69.8
|
1.0
|
|
Reference:
Y.Feng,
D.Degen,
X.Wang,
M.Gigliotti,
S.Liu,
Y.Zhang,
D.Das,
T.Michalchuk,
Y.W.Ebright,
M.Talaue,
N.Connell,
R.H.Ebright.
Structural Basis of Transcription Inhibition By Cbr Hydroxamidines and Cbr Pyrazoles. Structure V. 23 1470 2015.
ISSN: ISSN 0969-2126
PubMed: 26190576
DOI: 10.1016/J.STR.2015.06.009
Page generated: Thu Aug 1 07:18:25 2024
|