Fluorine in PDB 6ooh: Ctx-M-27 Beta Lactamase with Compound 14
Enzymatic activity of Ctx-M-27 Beta Lactamase with Compound 14
All present enzymatic activity of Ctx-M-27 Beta Lactamase with Compound 14:
3.5.2.6;
Protein crystallography data
The structure of Ctx-M-27 Beta Lactamase with Compound 14, PDB code: 6ooh
was solved by
M.Kemp,
Y.Chen,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
34.08 /
1.50
|
Space group
|
P 1 21 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
45.129,
107.157,
47.920,
90.00,
101.91,
90.00
|
R / Rfree (%)
|
14.4 /
17.1
|
Fluorine Binding Sites:
Pages:
>>> Page 1 <<<
Page 2, Binding sites: 11 -
15;
Binding sites:
The binding sites of Fluorine atom in the Ctx-M-27 Beta Lactamase with Compound 14
(pdb code 6ooh). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 15 binding sites of Fluorine where determined in the
Ctx-M-27 Beta Lactamase with Compound 14, PDB code: 6ooh:
Jump to Fluorine binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Fluorine binding site 1 out
of 15 in 6ooh
Go back to
Fluorine Binding Sites List in 6ooh
Fluorine binding site 1 out
of 15 in the Ctx-M-27 Beta Lactamase with Compound 14
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 1 of Ctx-M-27 Beta Lactamase with Compound 14 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F301
b:17.9
occ:0.92
|
F07
|
A:J1X301
|
0.0
|
17.9
|
0.9
|
C06
|
A:J1X301
|
1.4
|
16.3
|
0.9
|
F08
|
A:J1X301
|
2.2
|
19.4
|
0.9
|
F09
|
A:J1X301
|
2.2
|
26.9
|
0.9
|
C05
|
A:J1X301
|
2.4
|
16.3
|
0.9
|
C04
|
A:J1X301
|
2.8
|
12.6
|
0.9
|
O
|
A:PRO167
|
3.1
|
12.0
|
1.0
|
CB
|
A:PRO167
|
3.4
|
10.3
|
1.0
|
C
|
A:PRO167
|
3.5
|
11.5
|
1.0
|
C10
|
A:J1X301
|
3.6
|
13.9
|
0.9
|
CG
|
A:PRO167
|
3.6
|
12.3
|
1.0
|
N
|
A:THR168
|
4.0
|
10.4
|
1.0
|
CA
|
A:THR168
|
4.1
|
11.9
|
1.0
|
CA
|
A:PRO167
|
4.1
|
11.0
|
1.0
|
C03
|
A:J1X301
|
4.1
|
11.9
|
0.9
|
O
|
A:HOH580
|
4.2
|
30.9
|
1.0
|
ND2
|
A:ASN104
|
4.6
|
19.1
|
1.0
|
C11
|
A:J1X301
|
4.7
|
14.8
|
0.9
|
CG2
|
A:THR168
|
4.8
|
12.7
|
1.0
|
O01
|
A:J1X301
|
4.9
|
13.1
|
0.9
|
CD
|
A:PRO167
|
4.9
|
11.5
|
1.0
|
C17
|
A:J1X301
|
5.0
|
11.7
|
0.9
|
C
|
A:THR168
|
5.0
|
11.7
|
1.0
|
|
Fluorine binding site 2 out
of 15 in 6ooh
Go back to
Fluorine Binding Sites List in 6ooh
Fluorine binding site 2 out
of 15 in the Ctx-M-27 Beta Lactamase with Compound 14
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 2 of Ctx-M-27 Beta Lactamase with Compound 14 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F301
b:19.4
occ:0.92
|
F08
|
A:J1X301
|
0.0
|
19.4
|
0.9
|
C06
|
A:J1X301
|
1.4
|
16.3
|
0.9
|
F07
|
A:J1X301
|
2.2
|
17.9
|
0.9
|
F09
|
A:J1X301
|
2.3
|
26.9
|
0.9
|
C05
|
A:J1X301
|
2.3
|
16.3
|
0.9
|
C04
|
A:J1X301
|
3.1
|
12.6
|
0.9
|
C10
|
A:J1X301
|
3.2
|
13.9
|
0.9
|
O
|
A:PRO167
|
3.2
|
12.0
|
1.0
|
N
|
A:THR171
|
3.3
|
9.4
|
1.0
|
CG2
|
A:THR171
|
3.3
|
11.3
|
1.0
|
C
|
A:ASN170
|
3.5
|
11.2
|
1.0
|
CA
|
A:THR171
|
3.6
|
10.0
|
1.0
|
CA
|
A:THR168
|
3.8
|
11.9
|
1.0
|
O
|
A:ASN170
|
3.9
|
11.0
|
1.0
|
O
|
A:THR168
|
4.0
|
11.6
|
1.0
|
C
|
A:PRO167
|
4.0
|
11.5
|
1.0
|
O
|
A:HOH627
|
4.0
|
29.0
|
1.0
|
CB
|
A:ASN170
|
4.1
|
9.7
|
1.0
|
CB
|
A:THR171
|
4.1
|
9.7
|
1.0
|
CA
|
A:ASN170
|
4.1
|
8.6
|
1.0
|
N
|
A:ASN170
|
4.1
|
10.5
|
1.0
|
C
|
A:THR168
|
4.1
|
11.7
|
1.0
|
C03
|
A:J1X301
|
4.3
|
11.9
|
0.9
|
N
|
A:THR168
|
4.4
|
10.4
|
1.0
|
C11
|
A:J1X301
|
4.4
|
14.8
|
0.9
|
CB
|
A:THR168
|
4.9
|
10.5
|
1.0
|
C17
|
A:J1X301
|
4.9
|
11.7
|
0.9
|
C
|
A:THR171
|
5.0
|
11.2
|
1.0
|
OG1
|
A:THR171
|
5.0
|
11.5
|
1.0
|
|
Fluorine binding site 3 out
of 15 in 6ooh
Go back to
Fluorine Binding Sites List in 6ooh
Fluorine binding site 3 out
of 15 in the Ctx-M-27 Beta Lactamase with Compound 14
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 3 of Ctx-M-27 Beta Lactamase with Compound 14 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F301
b:26.9
occ:0.92
|
F09
|
A:J1X301
|
0.0
|
26.9
|
0.9
|
C06
|
A:J1X301
|
1.4
|
16.3
|
0.9
|
F07
|
A:J1X301
|
2.2
|
17.9
|
0.9
|
F08
|
A:J1X301
|
2.3
|
19.4
|
0.9
|
C05
|
A:J1X301
|
2.3
|
16.3
|
0.9
|
C10
|
A:J1X301
|
2.7
|
13.9
|
0.9
|
O
|
A:HOH627
|
3.0
|
29.0
|
1.0
|
C04
|
A:J1X301
|
3.6
|
12.6
|
0.9
|
C11
|
A:J1X301
|
4.1
|
14.8
|
0.9
|
CG2
|
A:THR171
|
4.3
|
11.3
|
1.0
|
C03
|
A:J1X301
|
4.7
|
11.9
|
0.9
|
O
|
A:HOH580
|
4.7
|
30.9
|
1.0
|
N26
|
A:J1X302
|
4.8
|
30.9
|
0.8
|
N25
|
A:J1X302
|
4.9
|
28.7
|
0.8
|
O
|
A:PRO167
|
4.9
|
12.0
|
1.0
|
C17
|
A:J1X301
|
4.9
|
11.7
|
0.9
|
C16
|
A:J1X301
|
5.0
|
13.2
|
0.9
|
|
Fluorine binding site 4 out
of 15 in 6ooh
Go back to
Fluorine Binding Sites List in 6ooh
Fluorine binding site 4 out
of 15 in the Ctx-M-27 Beta Lactamase with Compound 14
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 4 of Ctx-M-27 Beta Lactamase with Compound 14 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F302
b:22.3
occ:0.77
|
F07
|
A:J1X302
|
0.0
|
22.3
|
0.8
|
C06
|
A:J1X302
|
1.4
|
17.5
|
0.8
|
F08
|
A:J1X302
|
2.2
|
17.1
|
0.8
|
F09
|
A:J1X302
|
2.2
|
17.0
|
0.8
|
C05
|
A:J1X302
|
2.4
|
15.9
|
0.8
|
C10
|
A:J1X302
|
3.2
|
17.3
|
0.8
|
C04
|
A:J1X302
|
3.2
|
12.2
|
0.8
|
O
|
A:HOH651
|
3.4
|
28.2
|
1.0
|
OH
|
A:TYR105
|
3.6
|
20.9
|
1.0
|
O
|
A:HOH690
|
3.7
|
23.0
|
1.0
|
CG2
|
A:THR216
|
3.8
|
10.5
|
1.0
|
O
|
A:HOH424
|
3.9
|
17.1
|
1.0
|
CZ
|
A:TYR105
|
4.3
|
18.7
|
1.0
|
O
|
A:HOH476
|
4.3
|
21.1
|
1.0
|
CB
|
A:THR216
|
4.3
|
10.4
|
1.0
|
C03
|
A:J1X302
|
4.5
|
12.3
|
0.8
|
C11
|
A:J1X302
|
4.5
|
18.8
|
0.8
|
O
|
A:HOH564
|
4.5
|
16.1
|
1.0
|
CE2
|
A:TYR105
|
4.6
|
13.3
|
1.0
|
O
|
A:TYR129
|
5.0
|
10.8
|
1.0
|
C17
|
A:J1X302
|
5.0
|
14.8
|
0.8
|
|
Fluorine binding site 5 out
of 15 in 6ooh
Go back to
Fluorine Binding Sites List in 6ooh
Fluorine binding site 5 out
of 15 in the Ctx-M-27 Beta Lactamase with Compound 14
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 5 of Ctx-M-27 Beta Lactamase with Compound 14 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F302
b:17.1
occ:0.77
|
F08
|
A:J1X302
|
0.0
|
17.1
|
0.8
|
C06
|
A:J1X302
|
1.3
|
17.5
|
0.8
|
F07
|
A:J1X302
|
2.2
|
22.3
|
0.8
|
F09
|
A:J1X302
|
2.2
|
17.0
|
0.8
|
C05
|
A:J1X302
|
2.3
|
15.9
|
0.8
|
C04
|
A:J1X302
|
2.7
|
12.2
|
0.8
|
CE2
|
A:TYR105
|
3.4
|
13.3
|
1.0
|
CB
|
A:SER130
|
3.5
|
11.1
|
1.0
|
N23
|
A:J1X301
|
3.6
|
11.8
|
0.9
|
C10
|
A:J1X302
|
3.6
|
17.3
|
0.8
|
OH
|
A:TYR105
|
3.7
|
20.9
|
1.0
|
C27
|
A:J1X301
|
3.7
|
12.2
|
0.9
|
CZ
|
A:TYR105
|
3.7
|
18.7
|
1.0
|
O
|
A:TYR129
|
3.8
|
10.8
|
1.0
|
C22
|
A:J1X301
|
3.8
|
11.2
|
0.9
|
O
|
A:HOH424
|
3.9
|
17.1
|
1.0
|
CG2
|
A:THR216
|
4.1
|
10.5
|
1.0
|
C03
|
A:J1X302
|
4.1
|
12.3
|
0.8
|
N24
|
A:J1X301
|
4.1
|
13.7
|
0.9
|
C21
|
A:J1X301
|
4.1
|
10.8
|
0.9
|
OG
|
A:SER130
|
4.2
|
10.3
|
1.0
|
CD2
|
A:TYR105
|
4.3
|
10.8
|
1.0
|
N26
|
A:J1X301
|
4.4
|
12.8
|
0.9
|
N25
|
A:J1X301
|
4.6
|
12.0
|
0.9
|
C
|
A:TYR129
|
4.7
|
10.6
|
1.0
|
CA
|
A:SER130
|
4.7
|
9.8
|
1.0
|
C28
|
A:J1X301
|
4.7
|
11.7
|
0.9
|
C11
|
A:J1X302
|
4.7
|
18.8
|
0.8
|
O
|
A:SER130
|
4.7
|
11.4
|
1.0
|
CE1
|
A:TYR105
|
4.7
|
17.5
|
1.0
|
CB
|
A:THR216
|
4.8
|
10.4
|
1.0
|
C17
|
A:J1X302
|
4.9
|
14.8
|
0.8
|
O01
|
A:J1X302
|
5.0
|
25.2
|
0.8
|
C02
|
A:J1X302
|
5.0
|
14.9
|
0.8
|
|
Fluorine binding site 6 out
of 15 in 6ooh
Go back to
Fluorine Binding Sites List in 6ooh
Fluorine binding site 6 out
of 15 in the Ctx-M-27 Beta Lactamase with Compound 14
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 6 of Ctx-M-27 Beta Lactamase with Compound 14 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F302
b:17.0
occ:0.77
|
F09
|
A:J1X302
|
0.0
|
17.0
|
0.8
|
C06
|
A:J1X302
|
1.4
|
17.5
|
0.8
|
F08
|
A:J1X302
|
2.2
|
17.1
|
0.8
|
F07
|
A:J1X302
|
2.2
|
22.3
|
0.8
|
C05
|
A:J1X302
|
2.3
|
15.9
|
0.8
|
C10
|
A:J1X302
|
2.8
|
17.3
|
0.8
|
N24
|
A:J1X301
|
3.2
|
13.7
|
0.9
|
O
|
A:HOH564
|
3.3
|
16.1
|
1.0
|
CB
|
A:THR216
|
3.3
|
10.4
|
1.0
|
CG2
|
A:THR216
|
3.4
|
10.5
|
1.0
|
N25
|
A:J1X301
|
3.5
|
12.0
|
0.9
|
N23
|
A:J1X301
|
3.5
|
11.8
|
0.9
|
C04
|
A:J1X302
|
3.6
|
12.2
|
0.8
|
OG1
|
A:THR235
|
3.8
|
10.5
|
1.0
|
C22
|
A:J1X301
|
3.9
|
11.2
|
0.9
|
N26
|
A:J1X301
|
3.9
|
12.8
|
0.9
|
OG1
|
A:THR216
|
3.9
|
10.1
|
1.0
|
O
|
A:HOH651
|
4.1
|
28.2
|
1.0
|
C11
|
A:J1X302
|
4.1
|
18.8
|
0.8
|
O
|
A:HOH514
|
4.4
|
14.9
|
1.0
|
CB
|
A:SER130
|
4.5
|
11.1
|
1.0
|
CA
|
A:THR216
|
4.6
|
8.7
|
1.0
|
C03
|
A:J1X302
|
4.7
|
12.3
|
0.8
|
O
|
A:THR216
|
4.7
|
10.0
|
1.0
|
O
|
A:HOH690
|
4.7
|
23.0
|
1.0
|
OG
|
A:SER130
|
4.9
|
10.3
|
1.0
|
C21
|
A:J1X301
|
4.9
|
10.8
|
0.9
|
CB
|
A:THR235
|
4.9
|
9.6
|
1.0
|
C17
|
A:J1X302
|
4.9
|
14.8
|
0.8
|
|
Fluorine binding site 7 out
of 15 in 6ooh
Go back to
Fluorine Binding Sites List in 6ooh
Fluorine binding site 7 out
of 15 in the Ctx-M-27 Beta Lactamase with Compound 14
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 7 of Ctx-M-27 Beta Lactamase with Compound 14 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:F301
b:20.6
occ:0.62
|
F07
|
B:J1X301
|
0.0
|
20.6
|
0.6
|
F09
|
B:J1X301
|
0.4
|
18.1
|
0.4
|
C06
|
B:J1X301
|
1.4
|
17.3
|
0.6
|
C06
|
B:J1X301
|
1.5
|
17.7
|
0.4
|
F08
|
B:J1X301
|
2.2
|
20.5
|
0.6
|
F09
|
B:J1X301
|
2.2
|
18.7
|
0.6
|
F08
|
B:J1X301
|
2.3
|
23.2
|
0.4
|
C05
|
B:J1X301
|
2.4
|
20.2
|
0.4
|
C05
|
B:J1X301
|
2.4
|
20.2
|
0.6
|
C04
|
B:J1X301
|
2.5
|
17.4
|
0.4
|
F07
|
B:J1X301
|
2.5
|
20.9
|
0.4
|
C10
|
B:J1X301
|
2.7
|
17.2
|
0.6
|
CE2
|
B:TYR105
|
3.2
|
12.8
|
1.0
|
OH
|
B:TYR105
|
3.4
|
16.6
|
1.0
|
CB
|
B:SER130
|
3.5
|
11.2
|
1.0
|
CZ
|
B:TYR105
|
3.5
|
17.6
|
1.0
|
O
|
B:TYR129
|
3.7
|
11.8
|
1.0
|
C04
|
B:J1X301
|
3.7
|
18.7
|
0.6
|
O
|
B:HOH425
|
3.7
|
18.2
|
1.0
|
C10
|
B:J1X301
|
3.7
|
19.9
|
0.4
|
N23
|
B:J1X302
|
3.7
|
11.2
|
0.9
|
C27
|
B:J1X302
|
3.9
|
11.7
|
0.9
|
C03
|
B:J1X301
|
3.9
|
17.2
|
0.4
|
C22
|
B:J1X302
|
4.0
|
11.3
|
0.9
|
CD2
|
B:TYR105
|
4.1
|
13.6
|
1.0
|
CG2
|
B:THR216
|
4.1
|
9.9
|
1.0
|
C11
|
B:J1X301
|
4.1
|
17.9
|
0.6
|
N24
|
B:J1X302
|
4.2
|
11.3
|
0.9
|
OG
|
B:SER130
|
4.2
|
11.2
|
1.0
|
C21
|
B:J1X302
|
4.3
|
12.5
|
0.9
|
N26
|
B:J1X302
|
4.5
|
12.0
|
0.9
|
C
|
B:TYR129
|
4.6
|
10.6
|
1.0
|
CE1
|
B:TYR105
|
4.6
|
18.6
|
1.0
|
O
|
B:SER130
|
4.6
|
10.8
|
1.0
|
CA
|
B:SER130
|
4.6
|
11.5
|
1.0
|
N25
|
B:J1X302
|
4.7
|
14.2
|
0.9
|
C28
|
B:J1X302
|
4.8
|
12.5
|
0.9
|
C11
|
B:J1X301
|
4.8
|
23.4
|
0.4
|
O01
|
B:J1X301
|
4.8
|
17.9
|
0.4
|
C03
|
B:J1X301
|
4.8
|
23.8
|
0.6
|
C02
|
B:J1X301
|
4.8
|
17.1
|
0.4
|
C17
|
B:J1X301
|
4.9
|
24.2
|
0.4
|
CB
|
B:THR216
|
4.9
|
10.3
|
1.0
|
C
|
B:SER130
|
4.9
|
11.0
|
1.0
|
C17
|
B:J1X301
|
5.0
|
22.2
|
0.6
|
|
Fluorine binding site 8 out
of 15 in 6ooh
Go back to
Fluorine Binding Sites List in 6ooh
Fluorine binding site 8 out
of 15 in the Ctx-M-27 Beta Lactamase with Compound 14
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 8 of Ctx-M-27 Beta Lactamase with Compound 14 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:F301
b:20.9
occ:0.38
|
F07
|
B:J1X301
|
0.0
|
20.9
|
0.4
|
F09
|
B:J1X301
|
0.3
|
18.7
|
0.6
|
C06
|
B:J1X301
|
1.4
|
17.7
|
0.4
|
C06
|
B:J1X301
|
1.7
|
17.3
|
0.6
|
F08
|
B:J1X301
|
2.2
|
23.2
|
0.4
|
F09
|
B:J1X301
|
2.2
|
18.1
|
0.4
|
C05
|
B:J1X301
|
2.4
|
20.2
|
0.4
|
F08
|
B:J1X301
|
2.4
|
20.5
|
0.6
|
F07
|
B:J1X301
|
2.5
|
20.6
|
0.6
|
C05
|
B:J1X301
|
2.6
|
20.2
|
0.6
|
C10
|
B:J1X301
|
2.8
|
19.9
|
0.4
|
N24
|
B:J1X302
|
3.0
|
11.3
|
0.9
|
C04
|
B:J1X301
|
3.1
|
18.7
|
0.6
|
O
|
B:HOH584
|
3.1
|
18.3
|
1.0
|
CB
|
B:THR216
|
3.2
|
10.3
|
1.0
|
CG2
|
B:THR216
|
3.3
|
9.9
|
1.0
|
N25
|
B:J1X302
|
3.3
|
14.2
|
0.9
|
N23
|
B:J1X302
|
3.5
|
11.2
|
0.9
|
C04
|
B:J1X301
|
3.6
|
17.4
|
0.4
|
OG1
|
B:THR235
|
3.6
|
10.8
|
1.0
|
OG1
|
B:THR216
|
3.8
|
10.6
|
1.0
|
C10
|
B:J1X301
|
3.8
|
17.2
|
0.6
|
N26
|
B:J1X302
|
3.9
|
12.0
|
0.9
|
C22
|
B:J1X302
|
3.9
|
11.3
|
0.9
|
C11
|
B:J1X301
|
4.2
|
23.4
|
0.4
|
O
|
B:HOH554
|
4.3
|
14.2
|
1.0
|
C03
|
B:J1X301
|
4.4
|
23.8
|
0.6
|
O
|
B:HOH622
|
4.4
|
33.0
|
1.0
|
CB
|
B:SER130
|
4.5
|
11.2
|
1.0
|
CA
|
B:THR216
|
4.5
|
9.0
|
1.0
|
O
|
B:THR216
|
4.6
|
10.2
|
1.0
|
CB
|
B:THR235
|
4.7
|
8.6
|
1.0
|
C03
|
B:J1X301
|
4.7
|
17.2
|
0.4
|
OG
|
B:SER130
|
4.8
|
11.2
|
1.0
|
C11
|
B:J1X301
|
4.9
|
17.9
|
0.6
|
C17
|
B:J1X301
|
4.9
|
24.2
|
0.4
|
|
Fluorine binding site 9 out
of 15 in 6ooh
Go back to
Fluorine Binding Sites List in 6ooh
Fluorine binding site 9 out
of 15 in the Ctx-M-27 Beta Lactamase with Compound 14
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 9 of Ctx-M-27 Beta Lactamase with Compound 14 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:F301
b:20.5
occ:0.62
|
F08
|
B:J1X301
|
0.0
|
20.5
|
0.6
|
F08
|
B:J1X301
|
0.4
|
23.2
|
0.4
|
C06
|
B:J1X301
|
1.4
|
17.3
|
0.6
|
C06
|
B:J1X301
|
1.4
|
17.7
|
0.4
|
C05
|
B:J1X301
|
2.1
|
20.2
|
0.4
|
F07
|
B:J1X301
|
2.2
|
20.6
|
0.6
|
F09
|
B:J1X301
|
2.2
|
18.1
|
0.4
|
F09
|
B:J1X301
|
2.2
|
18.7
|
0.6
|
C05
|
B:J1X301
|
2.3
|
20.2
|
0.6
|
F07
|
B:J1X301
|
2.4
|
20.9
|
0.4
|
C10
|
B:J1X301
|
2.8
|
19.9
|
0.4
|
C04
|
B:J1X301
|
2.9
|
18.7
|
0.6
|
C04
|
B:J1X301
|
3.0
|
17.4
|
0.4
|
C10
|
B:J1X301
|
3.4
|
17.2
|
0.6
|
OH
|
B:TYR105
|
3.5
|
16.6
|
1.0
|
O
|
B:HOH650
|
3.6
|
26.1
|
1.0
|
O
|
B:HOH622
|
3.6
|
33.0
|
1.0
|
O
|
B:HOH425
|
3.8
|
18.2
|
1.0
|
CG2
|
B:THR216
|
3.9
|
9.9
|
1.0
|
C11
|
B:J1X301
|
4.1
|
23.4
|
0.4
|
C03
|
B:J1X301
|
4.1
|
17.2
|
0.4
|
C03
|
B:J1X301
|
4.2
|
23.8
|
0.6
|
CZ
|
B:TYR105
|
4.2
|
17.6
|
1.0
|
CB
|
B:THR216
|
4.3
|
10.3
|
1.0
|
O
|
B:HOH584
|
4.4
|
18.3
|
1.0
|
C11
|
B:J1X301
|
4.5
|
17.9
|
0.6
|
CE2
|
B:TYR105
|
4.6
|
12.8
|
1.0
|
C17
|
B:J1X301
|
4.6
|
24.2
|
0.4
|
O
|
B:HOH444
|
4.8
|
25.8
|
1.0
|
C17
|
B:J1X301
|
4.9
|
22.2
|
0.6
|
|
Fluorine binding site 10 out
of 15 in 6ooh
Go back to
Fluorine Binding Sites List in 6ooh
Fluorine binding site 10 out
of 15 in the Ctx-M-27 Beta Lactamase with Compound 14
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 10 of Ctx-M-27 Beta Lactamase with Compound 14 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:F301
b:23.2
occ:0.38
|
F08
|
B:J1X301
|
0.0
|
23.2
|
0.4
|
F08
|
B:J1X301
|
0.4
|
20.5
|
0.6
|
C06
|
B:J1X301
|
1.4
|
17.7
|
0.4
|
C06
|
B:J1X301
|
1.5
|
17.3
|
0.6
|
F09
|
B:J1X301
|
2.1
|
18.7
|
0.6
|
F09
|
B:J1X301
|
2.2
|
18.1
|
0.4
|
F07
|
B:J1X301
|
2.2
|
20.9
|
0.4
|
F07
|
B:J1X301
|
2.3
|
20.6
|
0.6
|
C05
|
B:J1X301
|
2.3
|
20.2
|
0.4
|
C05
|
B:J1X301
|
2.6
|
20.2
|
0.6
|
C10
|
B:J1X301
|
3.0
|
19.9
|
0.4
|
C04
|
B:J1X301
|
3.2
|
18.7
|
0.6
|
C04
|
B:J1X301
|
3.3
|
17.4
|
0.4
|
CG2
|
B:THR216
|
3.5
|
9.9
|
1.0
|
O
|
B:HOH622
|
3.5
|
33.0
|
1.0
|
C10
|
B:J1X301
|
3.7
|
17.2
|
0.6
|
OH
|
B:TYR105
|
3.7
|
16.6
|
1.0
|
O
|
B:HOH425
|
3.8
|
18.2
|
1.0
|
O
|
B:HOH650
|
3.8
|
26.1
|
1.0
|
CB
|
B:THR216
|
3.9
|
10.3
|
1.0
|
O
|
B:HOH584
|
4.3
|
18.3
|
1.0
|
C11
|
B:J1X301
|
4.3
|
23.4
|
0.4
|
C03
|
B:J1X301
|
4.5
|
23.8
|
0.6
|
CZ
|
B:TYR105
|
4.5
|
17.6
|
1.0
|
C03
|
B:J1X301
|
4.5
|
17.2
|
0.4
|
O
|
B:HOH444
|
4.6
|
25.8
|
1.0
|
CE2
|
B:TYR105
|
4.7
|
12.8
|
1.0
|
CA
|
B:THR216
|
4.8
|
9.0
|
1.0
|
C11
|
B:J1X301
|
4.9
|
17.9
|
0.6
|
O
|
B:TYR129
|
4.9
|
11.8
|
1.0
|
C17
|
B:J1X301
|
4.9
|
24.2
|
0.4
|
|
Reference:
K.Defrees,
M.T.Kemp,
X.Elhilali-Pollard,
X.Zhang,
A.Mohamed,
Y.Chen,
A.R.Renslo.
An Empirical Study of Amide-Heteroarene Pi-Stacking Interactions Using Reversible Inhibitors of A Bacterial Serine Hydrolase. Org Chem Front V. 6 1749 2019.
ISSN: ISSN 2052-4110
PubMed: 32774871
DOI: 10.1039/C9QO00342H
Page generated: Thu Aug 1 23:51:32 2024
|