Fluorine in PDB 4d42: Crystal Structure of S. Aureus Fabi in Complex with Nadp and 4-Fluoro-5-Hexyl-2-Phenoxyphenol
Enzymatic activity of Crystal Structure of S. Aureus Fabi in Complex with Nadp and 4-Fluoro-5-Hexyl-2-Phenoxyphenol
All present enzymatic activity of Crystal Structure of S. Aureus Fabi in Complex with Nadp and 4-Fluoro-5-Hexyl-2-Phenoxyphenol:
1.3.1.10;
Protein crystallography data
The structure of Crystal Structure of S. Aureus Fabi in Complex with Nadp and 4-Fluoro-5-Hexyl-2-Phenoxyphenol, PDB code: 4d42
was solved by
J.Schiebel,
A.Chang,
P.J.Tonge,
C.A.Sotriffer,
C.Kisker,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
38.44 /
2.02
|
Space group
|
P 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
90.350,
94.860,
94.900,
98.19,
97.22,
112.46
|
R / Rfree (%)
|
14.493 /
18.541
|
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Crystal Structure of S. Aureus Fabi in Complex with Nadp and 4-Fluoro-5-Hexyl-2-Phenoxyphenol
(pdb code 4d42). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 8 binding sites of Fluorine where determined in the
Crystal Structure of S. Aureus Fabi in Complex with Nadp and 4-Fluoro-5-Hexyl-2-Phenoxyphenol, PDB code: 4d42:
Jump to Fluorine binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
Fluorine binding site 1 out
of 8 in 4d42
Go back to
Fluorine Binding Sites List in 4d42
Fluorine binding site 1 out
of 8 in the Crystal Structure of S. Aureus Fabi in Complex with Nadp and 4-Fluoro-5-Hexyl-2-Phenoxyphenol
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 S. Aureus Fabi in Complex with Nadp and 4-Fluoro-5-Hexyl-2-Phenoxyphenol within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F1257
b:29.2
occ:1.00
|
FAC
|
A:W0I1257
|
0.0
|
29.2
|
1.0
|
CAR
|
A:W0I1257
|
1.3
|
26.7
|
1.0
|
CAJ
|
A:W0I1257
|
2.3
|
25.4
|
1.0
|
CAT
|
A:W0I1257
|
2.4
|
23.0
|
1.0
|
CAO
|
A:W0I1257
|
2.9
|
25.3
|
1.0
|
O7N
|
A:NAP1260
|
3.0
|
23.1
|
1.0
|
CB
|
A:ALA198
|
3.1
|
32.5
|
1.0
|
CE1
|
A:PHE204
|
3.3
|
29.9
|
1.0
|
C7N
|
A:NAP1260
|
3.3
|
25.4
|
1.0
|
CA
|
A:ALA198
|
3.4
|
33.5
|
1.0
|
CD1
|
A:PHE204
|
3.4
|
31.2
|
1.0
|
CAN
|
A:W0I1257
|
3.4
|
26.4
|
1.0
|
CAU
|
A:W0I1257
|
3.6
|
24.2
|
1.0
|
CAI
|
A:W0I1257
|
3.6
|
21.3
|
1.0
|
N7N
|
A:NAP1260
|
3.6
|
22.3
|
1.0
|
N
|
A:ALA198
|
4.1
|
33.5
|
1.0
|
CAQ
|
A:W0I1257
|
4.1
|
23.1
|
1.0
|
CAM
|
A:W0I1257
|
4.2
|
31.9
|
1.0
|
C3N
|
A:NAP1260
|
4.2
|
23.7
|
1.0
|
O
|
A:ILE193
|
4.2
|
20.3
|
1.0
|
CG2
|
A:VAL201
|
4.4
|
34.7
|
1.0
|
CZ
|
A:PHE204
|
4.5
|
31.1
|
1.0
|
C
|
A:ALA198
|
4.5
|
36.6
|
1.0
|
CG
|
A:PHE204
|
4.6
|
34.5
|
1.0
|
O
|
A:ALA198
|
4.6
|
36.9
|
1.0
|
OAP
|
A:W0I1257
|
4.7
|
25.2
|
1.0
|
C4N
|
A:NAP1260
|
4.8
|
20.7
|
1.0
|
C2N
|
A:NAP1260
|
4.9
|
22.4
|
1.0
|
CB
|
A:VAL201
|
4.9
|
34.6
|
1.0
|
C
|
A:SER197
|
4.9
|
34.5
|
1.0
|
|
Fluorine binding site 2 out
of 8 in 4d42
Go back to
Fluorine Binding Sites List in 4d42
Fluorine binding site 2 out
of 8 in the Crystal Structure of S. Aureus Fabi in Complex with Nadp and 4-Fluoro-5-Hexyl-2-Phenoxyphenol
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 S. Aureus Fabi in Complex with Nadp and 4-Fluoro-5-Hexyl-2-Phenoxyphenol within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:F1258
b:31.8
occ:1.00
|
FAC
|
B:W0I1258
|
0.0
|
31.8
|
1.0
|
CAR
|
B:W0I1258
|
1.3
|
30.4
|
1.0
|
CAT
|
B:W0I1258
|
2.3
|
29.9
|
1.0
|
CAJ
|
B:W0I1258
|
2.4
|
27.2
|
1.0
|
CAO
|
B:W0I1258
|
2.8
|
27.0
|
1.0
|
O7N
|
B:NAP1257
|
3.1
|
28.5
|
1.0
|
CB
|
B:ALA198
|
3.1
|
32.7
|
1.0
|
CAN
|
B:W0I1258
|
3.2
|
28.6
|
1.0
|
CA
|
B:ALA198
|
3.3
|
32.0
|
1.0
|
CE2
|
B:PHE204
|
3.3
|
31.1
|
1.0
|
C7N
|
B:NAP1257
|
3.4
|
30.0
|
1.0
|
CD2
|
B:PHE204
|
3.4
|
30.5
|
1.0
|
N7N
|
B:NAP1257
|
3.6
|
29.8
|
1.0
|
CAI
|
B:W0I1258
|
3.6
|
28.8
|
1.0
|
CAU
|
B:W0I1258
|
3.7
|
28.6
|
1.0
|
N
|
B:ALA198
|
4.0
|
31.6
|
1.0
|
CAQ
|
B:W0I1258
|
4.1
|
29.2
|
1.0
|
C3N
|
B:NAP1257
|
4.2
|
31.4
|
1.0
|
CG2
|
B:VAL201
|
4.2
|
36.4
|
1.0
|
O
|
B:ILE193
|
4.3
|
24.9
|
1.0
|
CAM
|
B:W0I1258
|
4.3
|
31.1
|
1.0
|
C
|
B:ALA198
|
4.5
|
34.6
|
1.0
|
CZ
|
B:PHE204
|
4.6
|
30.2
|
1.0
|
CG
|
B:PHE204
|
4.6
|
32.7
|
1.0
|
O
|
B:ALA198
|
4.6
|
35.1
|
1.0
|
OAP
|
B:W0I1258
|
4.8
|
26.5
|
1.0
|
CB
|
B:VAL201
|
4.8
|
34.5
|
1.0
|
C
|
B:SER197
|
4.9
|
32.6
|
1.0
|
C2N
|
B:NAP1257
|
4.9
|
25.2
|
1.0
|
C4N
|
B:NAP1257
|
4.9
|
29.0
|
1.0
|
|
Fluorine binding site 3 out
of 8 in 4d42
Go back to
Fluorine Binding Sites List in 4d42
Fluorine binding site 3 out
of 8 in the Crystal Structure of S. Aureus Fabi in Complex with Nadp and 4-Fluoro-5-Hexyl-2-Phenoxyphenol
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 S. Aureus Fabi in Complex with Nadp and 4-Fluoro-5-Hexyl-2-Phenoxyphenol within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:F1258
b:30.7
occ:1.00
|
FAC
|
C:W0I1258
|
0.0
|
30.7
|
1.0
|
CAR
|
C:W0I1258
|
1.3
|
27.1
|
1.0
|
CAJ
|
C:W0I1258
|
2.3
|
26.9
|
1.0
|
CAT
|
C:W0I1258
|
2.4
|
24.0
|
1.0
|
CAO
|
C:W0I1258
|
2.9
|
24.3
|
1.0
|
CB
|
C:ALA198
|
3.1
|
27.3
|
1.0
|
O7N
|
C:NAP1257
|
3.1
|
29.4
|
1.0
|
CE1
|
C:PHE204
|
3.2
|
24.6
|
1.0
|
CAN
|
C:W0I1258
|
3.3
|
28.5
|
1.0
|
CA
|
C:ALA198
|
3.4
|
29.3
|
1.0
|
CD1
|
C:PHE204
|
3.4
|
30.2
|
1.0
|
C7N
|
C:NAP1257
|
3.4
|
26.5
|
1.0
|
N7N
|
C:NAP1257
|
3.6
|
22.5
|
1.0
|
CAU
|
C:W0I1258
|
3.6
|
25.4
|
1.0
|
CAI
|
C:W0I1258
|
3.6
|
24.7
|
1.0
|
CAQ
|
C:W0I1258
|
4.1
|
25.7
|
1.0
|
N
|
C:ALA198
|
4.2
|
29.2
|
1.0
|
CAM
|
C:W0I1258
|
4.2
|
35.6
|
1.0
|
C3N
|
C:NAP1257
|
4.3
|
24.6
|
1.0
|
O
|
C:ILE193
|
4.3
|
25.6
|
1.0
|
CZ
|
C:PHE204
|
4.3
|
27.2
|
1.0
|
CG2
|
C:VAL201
|
4.5
|
28.6
|
1.0
|
C
|
C:ALA198
|
4.6
|
32.4
|
1.0
|
CG
|
C:PHE204
|
4.6
|
29.3
|
1.0
|
O
|
C:ALA198
|
4.7
|
32.0
|
1.0
|
OAP
|
C:W0I1258
|
4.7
|
29.0
|
1.0
|
CB
|
C:VAL201
|
4.9
|
29.4
|
1.0
|
C2N
|
C:NAP1257
|
4.9
|
23.6
|
1.0
|
OG1
|
C:THR195
|
4.9
|
23.0
|
1.0
|
C4N
|
C:NAP1257
|
4.9
|
24.3
|
1.0
|
C
|
C:SER197
|
4.9
|
30.1
|
1.0
|
N
|
C:ILE193
|
4.9
|
23.8
|
1.0
|
|
Fluorine binding site 4 out
of 8 in 4d42
Go back to
Fluorine Binding Sites List in 4d42
Fluorine binding site 4 out
of 8 in the Crystal Structure of S. Aureus Fabi in Complex with Nadp and 4-Fluoro-5-Hexyl-2-Phenoxyphenol
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 S. Aureus Fabi in Complex with Nadp and 4-Fluoro-5-Hexyl-2-Phenoxyphenol within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:F1258
b:40.9
occ:1.00
|
FAC
|
D:W0I1258
|
0.0
|
40.9
|
1.0
|
CAR
|
D:W0I1258
|
1.3
|
41.6
|
1.0
|
CAJ
|
D:W0I1258
|
2.4
|
39.0
|
1.0
|
CAT
|
D:W0I1258
|
2.4
|
40.2
|
1.0
|
CAO
|
D:W0I1258
|
2.9
|
38.5
|
1.0
|
CB
|
D:ALA198
|
3.1
|
38.7
|
1.0
|
O7N
|
D:NAP1257
|
3.2
|
32.3
|
1.0
|
CA
|
D:ALA198
|
3.3
|
41.0
|
1.0
|
CE1
|
D:PHE204
|
3.4
|
30.3
|
1.0
|
CAN
|
D:W0I1258
|
3.4
|
35.7
|
1.0
|
C7N
|
D:NAP1257
|
3.4
|
33.4
|
1.0
|
CD1
|
D:PHE204
|
3.5
|
36.8
|
1.0
|
CAI
|
D:W0I1258
|
3.6
|
39.0
|
1.0
|
CAU
|
D:W0I1258
|
3.6
|
38.0
|
1.0
|
N7N
|
D:NAP1257
|
3.7
|
30.2
|
1.0
|
N
|
D:ALA198
|
4.1
|
40.2
|
1.0
|
CAQ
|
D:W0I1258
|
4.1
|
39.4
|
1.0
|
CAM
|
D:W0I1258
|
4.2
|
41.3
|
1.0
|
O
|
D:ILE193
|
4.2
|
32.8
|
1.0
|
C3N
|
D:NAP1257
|
4.2
|
33.9
|
1.0
|
CG2
|
D:VAL201
|
4.3
|
42.0
|
1.0
|
C
|
D:ALA198
|
4.5
|
43.0
|
1.0
|
CZ
|
D:PHE204
|
4.5
|
37.4
|
1.0
|
O
|
D:ALA198
|
4.6
|
43.2
|
1.0
|
CG
|
D:PHE204
|
4.6
|
39.5
|
1.0
|
OAP
|
D:W0I1258
|
4.7
|
38.7
|
1.0
|
C
|
D:SER197
|
4.9
|
40.5
|
1.0
|
CB
|
D:VAL201
|
4.9
|
42.5
|
1.0
|
C4N
|
D:NAP1257
|
4.9
|
32.6
|
1.0
|
OG1
|
D:THR195
|
4.9
|
33.2
|
1.0
|
C2N
|
D:NAP1257
|
4.9
|
32.7
|
1.0
|
|
Fluorine binding site 5 out
of 8 in 4d42
Go back to
Fluorine Binding Sites List in 4d42
Fluorine binding site 5 out
of 8 in the Crystal Structure of S. Aureus Fabi in Complex with Nadp and 4-Fluoro-5-Hexyl-2-Phenoxyphenol
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 S. Aureus Fabi in Complex with Nadp and 4-Fluoro-5-Hexyl-2-Phenoxyphenol within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:F1258
b:26.2
occ:1.00
|
FAC
|
E:W0I1258
|
0.0
|
26.2
|
1.0
|
CAR
|
E:W0I1258
|
1.3
|
26.6
|
1.0
|
CAJ
|
E:W0I1258
|
2.3
|
25.6
|
1.0
|
CAT
|
E:W0I1258
|
2.4
|
25.3
|
1.0
|
CAO
|
E:W0I1258
|
2.9
|
24.5
|
1.0
|
O7N
|
E:NAP1257
|
3.0
|
25.3
|
1.0
|
CB
|
E:ALA198
|
3.1
|
31.9
|
1.0
|
CE1
|
E:PHE204
|
3.2
|
30.1
|
1.0
|
C7N
|
E:NAP1257
|
3.4
|
23.6
|
1.0
|
CD1
|
E:PHE204
|
3.4
|
31.6
|
1.0
|
CA
|
E:ALA198
|
3.4
|
32.6
|
1.0
|
CAN
|
E:W0I1258
|
3.4
|
22.0
|
1.0
|
N7N
|
E:NAP1257
|
3.6
|
18.1
|
1.0
|
CAU
|
E:W0I1258
|
3.6
|
26.5
|
1.0
|
CAI
|
E:W0I1258
|
3.6
|
25.1
|
1.0
|
CAQ
|
E:W0I1258
|
4.1
|
23.7
|
1.0
|
N
|
E:ALA198
|
4.1
|
32.2
|
1.0
|
CAM
|
E:W0I1258
|
4.2
|
30.1
|
1.0
|
CG2
|
E:VAL201
|
4.2
|
34.5
|
1.0
|
C3N
|
E:NAP1257
|
4.2
|
25.0
|
1.0
|
O
|
E:ILE193
|
4.3
|
21.7
|
1.0
|
CZ
|
E:PHE204
|
4.4
|
31.4
|
1.0
|
C
|
E:ALA198
|
4.5
|
35.5
|
1.0
|
CG
|
E:PHE204
|
4.6
|
34.2
|
1.0
|
O
|
E:ALA198
|
4.6
|
36.2
|
1.0
|
OAP
|
E:W0I1258
|
4.7
|
26.5
|
1.0
|
CB
|
E:VAL201
|
4.8
|
34.5
|
1.0
|
C4N
|
E:NAP1257
|
4.9
|
24.9
|
1.0
|
C
|
E:SER197
|
4.9
|
32.7
|
1.0
|
C2N
|
E:NAP1257
|
4.9
|
21.4
|
1.0
|
N
|
E:ILE193
|
5.0
|
22.0
|
1.0
|
|
Fluorine binding site 6 out
of 8 in 4d42
Go back to
Fluorine Binding Sites List in 4d42
Fluorine binding site 6 out
of 8 in the Crystal Structure of S. Aureus Fabi in Complex with Nadp and 4-Fluoro-5-Hexyl-2-Phenoxyphenol
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 S. Aureus Fabi in Complex with Nadp and 4-Fluoro-5-Hexyl-2-Phenoxyphenol within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
F:F1258
b:32.7
occ:1.00
|
FAC
|
F:W0I1258
|
0.0
|
32.7
|
1.0
|
CAR
|
F:W0I1258
|
1.4
|
27.3
|
1.0
|
CAJ
|
F:W0I1258
|
2.3
|
23.8
|
1.0
|
CAT
|
F:W0I1258
|
2.4
|
30.0
|
1.0
|
CAO
|
F:W0I1258
|
2.9
|
31.6
|
1.0
|
O7N
|
F:NAP1257
|
3.1
|
27.7
|
1.0
|
CAN
|
F:W0I1258
|
3.1
|
34.4
|
1.0
|
CB
|
F:ALA198
|
3.3
|
31.4
|
1.0
|
CE1
|
F:PHE204
|
3.4
|
31.6
|
1.0
|
CA
|
F:ALA198
|
3.4
|
32.6
|
1.0
|
CD1
|
F:PHE204
|
3.5
|
34.6
|
1.0
|
C7N
|
F:NAP1257
|
3.5
|
23.9
|
1.0
|
CAU
|
F:W0I1258
|
3.6
|
26.6
|
1.0
|
CAI
|
F:W0I1258
|
3.7
|
26.8
|
1.0
|
N7N
|
F:NAP1257
|
3.7
|
25.4
|
1.0
|
CAQ
|
F:W0I1258
|
4.1
|
27.5
|
1.0
|
CAM
|
F:W0I1258
|
4.1
|
41.1
|
1.0
|
N
|
F:ALA198
|
4.1
|
32.9
|
1.0
|
CG2
|
F:VAL201
|
4.2
|
37.7
|
1.0
|
C3N
|
F:NAP1257
|
4.3
|
25.9
|
1.0
|
O
|
F:ILE193
|
4.4
|
29.2
|
1.0
|
CZ
|
F:PHE204
|
4.6
|
30.2
|
1.0
|
C
|
F:ALA198
|
4.6
|
35.0
|
1.0
|
CG
|
F:PHE204
|
4.6
|
35.0
|
1.0
|
O
|
F:ALA198
|
4.7
|
35.1
|
1.0
|
OAP
|
F:W0I1258
|
4.7
|
29.5
|
1.0
|
CB
|
F:VAL201
|
4.8
|
36.9
|
1.0
|
C4N
|
F:NAP1257
|
4.9
|
25.0
|
1.0
|
C2N
|
F:NAP1257
|
4.9
|
23.6
|
1.0
|
C
|
F:SER197
|
4.9
|
33.0
|
1.0
|
|
Fluorine binding site 7 out
of 8 in 4d42
Go back to
Fluorine Binding Sites List in 4d42
Fluorine binding site 7 out
of 8 in the Crystal Structure of S. Aureus Fabi in Complex with Nadp and 4-Fluoro-5-Hexyl-2-Phenoxyphenol
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 7 of Crystal Structure of S. Aureus Fabi in Complex with Nadp and 4-Fluoro-5-Hexyl-2-Phenoxyphenol within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
G:F1258
b:28.9
occ:1.00
|
FAC
|
G:W0I1258
|
0.0
|
28.9
|
1.0
|
CAR
|
G:W0I1258
|
1.3
|
29.2
|
1.0
|
CAJ
|
G:W0I1258
|
2.3
|
24.0
|
1.0
|
CAT
|
G:W0I1258
|
2.4
|
27.4
|
1.0
|
CAO
|
G:W0I1258
|
2.9
|
24.3
|
1.0
|
CB
|
G:ALA198
|
3.1
|
28.8
|
1.0
|
O7N
|
G:NAP1257
|
3.1
|
29.9
|
1.0
|
CAN
|
G:W0I1258
|
3.3
|
29.0
|
1.0
|
CE1
|
G:PHE204
|
3.3
|
21.0
|
1.0
|
CA
|
G:ALA198
|
3.3
|
26.8
|
1.0
|
CD1
|
G:PHE204
|
3.4
|
24.0
|
1.0
|
C7N
|
G:NAP1257
|
3.4
|
24.6
|
1.0
|
N7N
|
G:NAP1257
|
3.6
|
25.0
|
1.0
|
CAI
|
G:W0I1258
|
3.6
|
29.4
|
1.0
|
CAU
|
G:W0I1258
|
3.6
|
28.6
|
1.0
|
CAQ
|
G:W0I1258
|
4.1
|
29.8
|
1.0
|
N
|
G:ALA198
|
4.1
|
26.7
|
1.0
|
C3N
|
G:NAP1257
|
4.2
|
24.8
|
1.0
|
O
|
G:ILE193
|
4.2
|
26.8
|
1.0
|
CG2
|
G:VAL201
|
4.2
|
29.8
|
1.0
|
CAM
|
G:W0I1258
|
4.3
|
31.9
|
1.0
|
CZ
|
G:PHE204
|
4.4
|
23.4
|
1.0
|
CG
|
G:PHE204
|
4.5
|
24.8
|
1.0
|
C
|
G:ALA198
|
4.5
|
30.1
|
1.0
|
O
|
G:ALA198
|
4.7
|
28.6
|
1.0
|
OAP
|
G:W0I1258
|
4.7
|
27.6
|
1.0
|
C4N
|
G:NAP1257
|
4.8
|
24.6
|
1.0
|
CB
|
G:VAL201
|
4.9
|
27.1
|
1.0
|
C2N
|
G:NAP1257
|
4.9
|
25.0
|
1.0
|
C
|
G:SER197
|
4.9
|
27.8
|
1.0
|
|
Fluorine binding site 8 out
of 8 in 4d42
Go back to
Fluorine Binding Sites List in 4d42
Fluorine binding site 8 out
of 8 in the Crystal Structure of S. Aureus Fabi in Complex with Nadp and 4-Fluoro-5-Hexyl-2-Phenoxyphenol
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 8 of Crystal Structure of S. Aureus Fabi in Complex with Nadp and 4-Fluoro-5-Hexyl-2-Phenoxyphenol within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
H:F1258
b:37.1
occ:1.00
|
FAC
|
H:W0I1258
|
0.0
|
37.1
|
1.0
|
CAR
|
H:W0I1258
|
1.4
|
40.8
|
1.0
|
CAJ
|
H:W0I1258
|
2.3
|
37.9
|
1.0
|
CAT
|
H:W0I1258
|
2.4
|
33.7
|
1.0
|
CAO
|
H:W0I1258
|
3.0
|
32.8
|
1.0
|
CB
|
H:ALA198
|
3.0
|
35.8
|
1.0
|
O7N
|
H:NAP1257
|
3.1
|
29.1
|
1.0
|
CE2
|
H:PHE204
|
3.3
|
33.2
|
1.0
|
CA
|
H:ALA198
|
3.3
|
38.1
|
1.0
|
CD2
|
H:PHE204
|
3.3
|
37.5
|
1.0
|
C7N
|
H:NAP1257
|
3.4
|
33.3
|
1.0
|
CAN
|
H:W0I1258
|
3.6
|
35.0
|
1.0
|
CAU
|
H:W0I1258
|
3.6
|
34.1
|
1.0
|
CAI
|
H:W0I1258
|
3.6
|
35.5
|
1.0
|
N7N
|
H:NAP1257
|
3.7
|
30.3
|
1.0
|
N
|
H:ALA198
|
4.0
|
38.2
|
1.0
|
O
|
H:ILE193
|
4.0
|
31.6
|
1.0
|
CAQ
|
H:W0I1258
|
4.1
|
35.6
|
1.0
|
CAM
|
H:W0I1258
|
4.2
|
36.4
|
1.0
|
C3N
|
H:NAP1257
|
4.3
|
32.0
|
1.0
|
CG2
|
H:VAL201
|
4.3
|
39.7
|
1.0
|
CG
|
H:PHE204
|
4.4
|
37.2
|
1.0
|
CZ
|
H:PHE204
|
4.4
|
37.3
|
1.0
|
C
|
H:ALA198
|
4.5
|
40.0
|
1.0
|
O
|
H:ALA198
|
4.6
|
40.5
|
1.0
|
OAP
|
H:W0I1258
|
4.7
|
38.3
|
1.0
|
C
|
H:SER197
|
4.9
|
38.5
|
1.0
|
CB
|
H:VAL201
|
4.9
|
39.2
|
1.0
|
C2N
|
H:NAP1257
|
4.9
|
31.6
|
1.0
|
OG1
|
H:THR195
|
5.0
|
34.7
|
1.0
|
|
Reference:
J.Schiebel,
A.Chang,
B.Merget,
G.R.Bommineni,
W.Yu,
L.A.Spagnuolo,
M.V.Baxter,
M.Tareilus,
P.J.Tonge,
C.Kisker,
C.A.Sotriffer.
An Ordered Water Channel in Staphylococcus Aureus Fabi: Unraveling the Mechanism of Substrate Recognition and Reduction. Biochemistry 2015.
ISSN: ESSN 1520-4995
PubMed: 25706582
DOI: 10.1021/BI5014358
Page generated: Thu Aug 1 00:51:27 2024
|