Magnesium in PDB 6is1: Crystal Structure of Staphylococcus Aureus Response Regulator Arlr Receiver Domain in Complex with BEF3 and Mg
Protein crystallography data
The structure of Crystal Structure of Staphylococcus Aureus Response Regulator Arlr Receiver Domain in Complex with BEF3 and Mg, PDB code: 6is1
was solved by
Y.Wen,
Z.Ouyang,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
|
Resolution Low / High (Å)
|
31.77 /
1.59
|
|
Space group
|
P 1
|
|
Cell size a, b, c (Å), α, β, γ (°)
|
61.112,
61.742,
66.063,
90.36,
105.45,
92.01
|
|
R / Rfree (%)
|
15.9 /
18.9
|
Other elements in 6is1:
The structure of Crystal Structure of Staphylococcus Aureus Response Regulator Arlr Receiver Domain in Complex with BEF3 and Mg also contains other interesting chemical elements:
Magnesium Binding Sites:
The binding sites of Magnesium atom in the Crystal Structure of Staphylococcus Aureus Response Regulator Arlr Receiver Domain in Complex with BEF3 and Mg
(pdb code 6is1). This binding sites where shown within
5.0 Angstroms radius around Magnesium atom.
In total 8 binding sites of Magnesium where determined in the
Crystal Structure of Staphylococcus Aureus Response Regulator Arlr Receiver Domain in Complex with BEF3 and Mg, PDB code: 6is1:
Jump to Magnesium binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
Magnesium binding site 1 out
of 8 in 6is1
Go back to
Magnesium Binding Sites List in 6is1
Magnesium binding site 1 out
of 8 in the Crystal Structure of Staphylococcus Aureus Response Regulator Arlr Receiver Domain in Complex with BEF3 and Mg
 Mono view
 Stereo pair view
|
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 1 of Crystal Structure of Staphylococcus Aureus Response Regulator Arlr Receiver Domain in Complex with BEF3 and Mg within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg302
b:15.8
occ:1.00
|
F3
|
A:BEF301
|
1.9
|
17.3
|
1.0
|
|
OD1
|
A:ASP9
|
2.0
|
18.1
|
1.0
|
|
O
|
A:MET54
|
2.0
|
14.8
|
1.0
|
|
O
|
A:HOH501
|
2.1
|
16.8
|
1.0
|
|
OD2
|
A:ASP52
|
2.1
|
14.1
|
1.0
|
|
O
|
A:HOH439
|
2.1
|
16.5
|
1.0
|
|
CG
|
A:ASP52
|
3.0
|
13.5
|
1.0
|
|
HB2
|
A:MET54
|
3.1
|
21.1
|
0.5
|
|
CG
|
A:ASP9
|
3.1
|
18.3
|
1.0
|
|
HB2
|
A:MET54
|
3.2
|
18.0
|
0.5
|
|
BE
|
A:BEF301
|
3.2
|
14.5
|
1.0
|
|
C
|
A:MET54
|
3.2
|
17.5
|
1.0
|
|
OD1
|
A:ASP52
|
3.4
|
15.8
|
1.0
|
|
OD2
|
A:ASP9
|
3.4
|
25.6
|
1.0
|
|
H
|
A:ASP9
|
3.7
|
15.8
|
1.0
|
|
H
|
A:MET54
|
3.7
|
17.0
|
1.0
|
|
CB
|
A:MET54
|
3.8
|
17.6
|
0.5
|
|
HD23
|
A:LEU55
|
3.9
|
22.9
|
1.0
|
|
CA
|
A:MET54
|
3.9
|
17.3
|
0.5
|
|
CB
|
A:MET54
|
3.9
|
15.0
|
0.5
|
|
CA
|
A:MET54
|
3.9
|
17.2
|
0.5
|
|
HA
|
A:LEU55
|
4.0
|
16.2
|
1.0
|
|
OE2
|
A:GLU8
|
4.0
|
17.6
|
1.0
|
|
F2
|
A:BEF301
|
4.1
|
15.7
|
1.0
|
|
N
|
A:MET54
|
4.1
|
14.2
|
1.0
|
|
HB3
|
A:MET54
|
4.1
|
21.1
|
0.5
|
|
O
|
A:HOH463
|
4.2
|
32.7
|
1.0
|
|
HZ2
|
A:LYS101
|
4.2
|
20.1
|
1.0
|
|
HG
|
A:LEU55
|
4.2
|
15.7
|
1.0
|
|
O
|
A:HOH574
|
4.2
|
46.7
|
1.0
|
|
F1
|
A:BEF301
|
4.3
|
15.9
|
1.0
|
|
HB3
|
A:MET54
|
4.3
|
18.0
|
0.5
|
|
O
|
A:HOH570
|
4.3
|
35.5
|
1.0
|
|
N
|
A:LEU55
|
4.3
|
14.0
|
1.0
|
|
O
|
A:HOH552
|
4.3
|
45.8
|
1.0
|
|
CB
|
A:ASP52
|
4.4
|
14.8
|
1.0
|
|
HB3
|
A:ASP52
|
4.4
|
17.7
|
1.0
|
|
CB
|
A:ASP9
|
4.4
|
14.3
|
1.0
|
|
HZ1
|
A:LYS101
|
4.5
|
20.1
|
1.0
|
|
N
|
A:ASP9
|
4.5
|
13.2
|
1.0
|
|
H
|
A:GLU10
|
4.6
|
19.9
|
1.0
|
|
O
|
A:HOH567
|
4.6
|
35.9
|
1.0
|
|
CD2
|
A:LEU55
|
4.6
|
19.1
|
1.0
|
|
HD21
|
A:LEU55
|
4.6
|
22.9
|
1.0
|
|
CA
|
A:LEU55
|
4.6
|
13.5
|
1.0
|
|
HB3
|
A:ASP9
|
4.7
|
17.1
|
1.0
|
|
NZ
|
A:LYS101
|
4.7
|
16.7
|
1.0
|
|
HB2
|
A:ASP52
|
4.8
|
17.7
|
1.0
|
|
HB2
|
A:GLU10
|
4.8
|
20.7
|
1.0
|
|
HA
|
A:MET54
|
4.8
|
20.7
|
1.0
|
|
CD
|
A:GLU8
|
4.9
|
15.6
|
1.0
|
|
CG
|
A:LEU55
|
4.9
|
13.1
|
1.0
|
|
H
|
A:LEU53
|
4.9
|
16.8
|
1.0
|
|
CA
|
A:ASP9
|
4.9
|
14.6
|
1.0
|
|
HZ3
|
A:LYS101
|
5.0
|
20.1
|
1.0
|
|
HA
|
A:GLU8
|
5.0
|
18.8
|
1.0
|
|
Magnesium binding site 2 out
of 8 in 6is1
Go back to
Magnesium Binding Sites List in 6is1
Magnesium binding site 2 out
of 8 in the Crystal Structure of Staphylococcus Aureus Response Regulator Arlr Receiver Domain in Complex with BEF3 and Mg
 Mono view
 Stereo pair view
|
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 2 of Crystal Structure of Staphylococcus Aureus Response Regulator Arlr Receiver Domain in Complex with BEF3 and Mg within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Mg302
b:33.7
occ:1.00
|
F2
|
C:BEF301
|
1.9
|
35.7
|
1.0
|
|
OD2
|
C:ASP52
|
2.0
|
33.1
|
1.0
|
|
OD1
|
C:ASP9
|
2.1
|
47.1
|
1.0
|
|
O
|
C:HOH402
|
2.1
|
30.4
|
1.0
|
|
O
|
C:MET54
|
2.2
|
39.4
|
1.0
|
|
O
|
C:HOH431
|
2.3
|
43.0
|
1.0
|
|
CG
|
C:ASP9
|
3.0
|
49.9
|
1.0
|
|
CG
|
C:ASP52
|
3.0
|
36.6
|
1.0
|
|
BE
|
C:BEF301
|
3.2
|
36.3
|
1.0
|
|
OD2
|
C:ASP9
|
3.2
|
52.4
|
1.0
|
|
C
|
C:MET54
|
3.3
|
36.1
|
1.0
|
|
HB2
|
C:MET54
|
3.4
|
58.3
|
1.0
|
|
OD1
|
C:ASP52
|
3.4
|
28.7
|
1.0
|
|
H
|
C:ASP9
|
3.6
|
37.5
|
1.0
|
|
HD23
|
C:LEU55
|
3.8
|
34.6
|
1.0
|
|
OE2
|
C:GLU8
|
3.9
|
35.5
|
1.0
|
|
H
|
C:MET54
|
3.9
|
41.6
|
1.0
|
|
CB
|
C:MET54
|
4.0
|
48.6
|
1.0
|
|
CA
|
C:MET54
|
4.0
|
37.0
|
1.0
|
|
HB3
|
C:MET54
|
4.1
|
58.3
|
1.0
|
|
HA
|
C:LEU55
|
4.1
|
53.0
|
1.0
|
|
F3
|
C:BEF301
|
4.1
|
31.0
|
1.0
|
|
N
|
C:MET54
|
4.2
|
34.6
|
1.0
|
|
HZ1
|
C:LYS101
|
4.2
|
40.2
|
1.0
|
|
HG
|
C:LEU55
|
4.2
|
36.5
|
1.0
|
|
F1
|
C:BEF301
|
4.2
|
30.6
|
1.0
|
|
CB
|
C:ASP52
|
4.3
|
25.3
|
1.0
|
|
HB3
|
C:ASP52
|
4.3
|
30.3
|
1.0
|
|
N
|
C:LEU55
|
4.4
|
38.6
|
1.0
|
|
CB
|
C:ASP9
|
4.4
|
33.7
|
1.0
|
|
N
|
C:ASP9
|
4.4
|
31.3
|
1.0
|
|
H
|
C:GLU10
|
4.5
|
51.0
|
1.0
|
|
HD21
|
C:LEU55
|
4.5
|
34.6
|
1.0
|
|
HZ3
|
C:LYS101
|
4.5
|
40.2
|
1.0
|
|
CD2
|
C:LEU55
|
4.5
|
28.9
|
1.0
|
|
HB2
|
C:GLU10
|
4.6
|
71.0
|
1.0
|
|
HB2
|
C:ASP52
|
4.6
|
30.3
|
1.0
|
|
CD
|
C:GLU8
|
4.7
|
40.1
|
1.0
|
|
NZ
|
C:LYS101
|
4.7
|
33.5
|
1.0
|
|
CA
|
C:LEU55
|
4.7
|
44.2
|
1.0
|
|
HB3
|
C:ASP9
|
4.8
|
40.5
|
1.0
|
|
HZ2
|
C:LYS101
|
4.8
|
40.2
|
1.0
|
|
HA
|
C:GLU8
|
4.8
|
34.9
|
1.0
|
|
CG
|
C:LEU55
|
4.8
|
30.4
|
1.0
|
|
CA
|
C:ASP9
|
4.9
|
37.7
|
1.0
|
|
N
|
C:GLU10
|
4.9
|
42.5
|
1.0
|
|
O
|
C:HOH478
|
4.9
|
43.5
|
1.0
|
|
OE1
|
C:GLU8
|
4.9
|
36.9
|
1.0
|
|
HA
|
C:MET54
|
5.0
|
44.3
|
1.0
|
|
Magnesium binding site 3 out
of 8 in 6is1
Go back to
Magnesium Binding Sites List in 6is1
Magnesium binding site 3 out
of 8 in the Crystal Structure of Staphylococcus Aureus Response Regulator Arlr Receiver Domain in Complex with BEF3 and Mg
 Mono view
 Stereo pair view
|
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 3 of Crystal Structure of Staphylococcus Aureus Response Regulator Arlr Receiver Domain in Complex with BEF3 and Mg within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mg302
b:13.3
occ:1.00
|
F3
|
B:BEF301
|
2.0
|
16.8
|
1.0
|
|
OD2
|
B:ASP52
|
2.0
|
14.2
|
1.0
|
|
O
|
B:HOH435
|
2.0
|
15.3
|
1.0
|
|
O
|
B:HOH511
|
2.1
|
14.8
|
1.0
|
|
O
|
B:MET54
|
2.1
|
15.9
|
1.0
|
|
OD1
|
B:ASP9
|
2.1
|
14.3
|
1.0
|
|
CG
|
B:ASP52
|
3.0
|
13.2
|
1.0
|
|
CG
|
B:ASP9
|
3.1
|
19.0
|
1.0
|
|
BE
|
B:BEF301
|
3.2
|
16.5
|
1.0
|
|
C
|
B:MET54
|
3.2
|
12.2
|
1.0
|
|
HB2
|
B:MET54
|
3.3
|
19.6
|
0.4
|
|
HB2
|
B:MET54
|
3.3
|
19.2
|
0.6
|
|
OD1
|
B:ASP52
|
3.3
|
13.9
|
1.0
|
|
OD2
|
B:ASP9
|
3.5
|
22.9
|
1.0
|
|
H
|
B:ASP9
|
3.7
|
15.4
|
1.0
|
|
HD23
|
B:LEU55
|
3.8
|
19.2
|
1.0
|
|
H
|
B:MET54
|
3.8
|
15.4
|
1.0
|
|
CA
|
B:MET54
|
4.0
|
13.7
|
0.4
|
|
CA
|
B:MET54
|
4.0
|
14.0
|
0.6
|
|
CB
|
B:MET54
|
4.0
|
16.4
|
0.4
|
|
OE2
|
B:GLU8
|
4.0
|
13.8
|
1.0
|
|
CB
|
B:MET54
|
4.0
|
16.0
|
0.6
|
|
F2
|
B:BEF301
|
4.1
|
14.8
|
1.0
|
|
O
|
B:HOH591
|
4.1
|
37.4
|
1.0
|
|
HA
|
B:LEU55
|
4.1
|
15.3
|
1.0
|
|
N
|
B:MET54
|
4.1
|
12.9
|
1.0
|
|
HZ2
|
B:LYS101
|
4.2
|
17.2
|
1.0
|
|
F1
|
B:BEF301
|
4.2
|
13.4
|
1.0
|
|
O
|
B:HOH434
|
4.3
|
44.2
|
1.0
|
|
O
|
B:HOH587
|
4.3
|
29.4
|
1.0
|
|
O
|
B:HOH589
|
4.3
|
44.8
|
1.0
|
|
O
|
B:HOH556
|
4.3
|
35.2
|
1.0
|
|
HG
|
B:LEU55
|
4.3
|
15.3
|
1.0
|
|
N
|
B:LEU55
|
4.3
|
14.1
|
1.0
|
|
CB
|
B:ASP52
|
4.3
|
12.8
|
1.0
|
|
HB3
|
B:MET54
|
4.3
|
19.6
|
0.4
|
|
HB3
|
B:ASP52
|
4.3
|
15.4
|
1.0
|
|
HB3
|
B:MET54
|
4.4
|
19.2
|
0.6
|
|
H
|
B:GLU10
|
4.5
|
15.8
|
1.0
|
|
N
|
B:ASP9
|
4.5
|
12.9
|
1.0
|
|
CB
|
B:ASP9
|
4.5
|
13.1
|
1.0
|
|
HD21
|
B:LEU55
|
4.5
|
19.2
|
1.0
|
|
HZ1
|
B:LYS101
|
4.5
|
17.2
|
1.0
|
|
CD2
|
B:LEU55
|
4.6
|
16.0
|
1.0
|
|
HB2
|
B:ASP52
|
4.7
|
15.4
|
1.0
|
|
CA
|
B:LEU55
|
4.7
|
12.8
|
1.0
|
|
O
|
B:HOH575
|
4.7
|
33.1
|
1.0
|
|
HB2
|
B:GLU10
|
4.7
|
23.9
|
1.0
|
|
NZ
|
B:LYS101
|
4.7
|
14.3
|
1.0
|
|
HB3
|
B:ASP9
|
4.8
|
15.7
|
1.0
|
|
H
|
B:LEU53
|
4.9
|
14.3
|
1.0
|
|
CD
|
B:GLU8
|
4.9
|
12.8
|
1.0
|
|
HZ3
|
B:LYS101
|
4.9
|
17.2
|
1.0
|
|
HA
|
B:MET54
|
4.9
|
16.4
|
1.0
|
|
CG
|
B:LEU55
|
4.9
|
12.8
|
1.0
|
|
CA
|
B:ASP9
|
4.9
|
12.7
|
1.0
|
|
N
|
B:GLU10
|
4.9
|
13.2
|
1.0
|
|
HA
|
B:GLU8
|
5.0
|
14.0
|
1.0
|
|
Magnesium binding site 4 out
of 8 in 6is1
Go back to
Magnesium Binding Sites List in 6is1
Magnesium binding site 4 out
of 8 in the Crystal Structure of Staphylococcus Aureus Response Regulator Arlr Receiver Domain in Complex with BEF3 and Mg
 Mono view
 Stereo pair view
|
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 4 of Crystal Structure of Staphylococcus Aureus Response Regulator Arlr Receiver Domain in Complex with BEF3 and Mg within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Mg302
b:20.2
occ:1.00
|
F3
|
D:BEF301
|
1.9
|
22.3
|
1.0
|
|
O
|
D:HOH421
|
2.0
|
20.3
|
1.0
|
|
OD2
|
D:ASP52
|
2.0
|
19.3
|
1.0
|
|
O
|
D:MET54
|
2.1
|
21.9
|
1.0
|
|
O
|
D:HOH476
|
2.1
|
21.4
|
1.0
|
|
OD1
|
D:ASP9
|
2.1
|
26.3
|
1.0
|
|
CG
|
D:ASP52
|
3.0
|
25.0
|
1.0
|
|
CG
|
D:ASP9
|
3.1
|
32.0
|
1.0
|
|
BE
|
D:BEF301
|
3.2
|
17.9
|
1.0
|
|
HB2
|
D:MET54
|
3.2
|
27.3
|
1.0
|
|
C
|
D:MET54
|
3.2
|
21.0
|
1.0
|
|
OD1
|
D:ASP52
|
3.3
|
19.8
|
1.0
|
|
OD2
|
D:ASP9
|
3.5
|
42.9
|
1.0
|
|
H
|
D:ASP9
|
3.7
|
28.4
|
1.0
|
|
HD23
|
D:LEU55
|
3.7
|
29.6
|
1.0
|
|
H
|
D:MET54
|
3.8
|
26.4
|
1.0
|
|
CB
|
D:MET54
|
3.9
|
22.8
|
1.0
|
|
CA
|
D:MET54
|
3.9
|
20.2
|
1.0
|
|
OE2
|
D:GLU8
|
4.0
|
23.4
|
1.0
|
|
HA
|
D:LEU55
|
4.0
|
29.0
|
1.0
|
|
F1
|
D:BEF301
|
4.0
|
21.5
|
1.0
|
|
N
|
D:MET54
|
4.1
|
22.0
|
1.0
|
|
F2
|
D:BEF301
|
4.2
|
20.4
|
1.0
|
|
HZ2
|
D:LYS101
|
4.2
|
24.9
|
1.0
|
|
HB3
|
D:MET54
|
4.2
|
27.3
|
1.0
|
|
O
|
D:HOH478
|
4.2
|
30.8
|
1.0
|
|
HG
|
D:LEU55
|
4.3
|
24.7
|
1.0
|
|
N
|
D:LEU55
|
4.3
|
24.5
|
1.0
|
|
CB
|
D:ASP52
|
4.4
|
18.7
|
1.0
|
|
HB3
|
D:ASP52
|
4.4
|
22.4
|
1.0
|
|
CD2
|
D:LEU55
|
4.5
|
24.6
|
1.0
|
|
HD21
|
D:LEU55
|
4.5
|
29.6
|
1.0
|
|
O
|
D:HOH530
|
4.5
|
36.9
|
1.0
|
|
N
|
D:ASP9
|
4.5
|
23.7
|
1.0
|
|
CB
|
D:ASP9
|
4.5
|
24.1
|
1.0
|
|
H
|
D:GLU10
|
4.5
|
27.3
|
1.0
|
|
HZ1
|
D:LYS101
|
4.5
|
24.9
|
1.0
|
|
CA
|
D:LEU55
|
4.6
|
24.2
|
1.0
|
|
HB2
|
D:ASP52
|
4.7
|
22.4
|
1.0
|
|
NZ
|
D:LYS101
|
4.8
|
20.8
|
1.0
|
|
HB3
|
D:ASP9
|
4.8
|
28.9
|
1.0
|
|
CD
|
D:GLU8
|
4.8
|
25.3
|
1.0
|
|
HB2
|
D:GLU10
|
4.8
|
39.0
|
1.0
|
|
CG
|
D:LEU55
|
4.9
|
20.6
|
1.0
|
|
H
|
D:LEU53
|
4.9
|
22.9
|
1.0
|
|
HA
|
D:MET54
|
4.9
|
24.2
|
1.0
|
|
HZ3
|
D:LYS101
|
4.9
|
24.9
|
1.0
|
|
HA
|
D:GLU8
|
4.9
|
21.0
|
1.0
|
|
CA
|
D:ASP9
|
5.0
|
22.9
|
1.0
|
|
OE1
|
D:GLU8
|
5.0
|
20.6
|
1.0
|
|
Magnesium binding site 5 out
of 8 in 6is1
Go back to
Magnesium Binding Sites List in 6is1
Magnesium binding site 5 out
of 8 in the Crystal Structure of Staphylococcus Aureus Response Regulator Arlr Receiver Domain in Complex with BEF3 and Mg
 Mono view
 Stereo pair view
|
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 5 of Crystal Structure of Staphylococcus Aureus Response Regulator Arlr Receiver Domain in Complex with BEF3 and Mg within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Mg302
b:40.5
occ:1.00
|
O
|
E:HOH406
|
1.8
|
33.9
|
1.0
|
|
F3
|
E:BEF301
|
1.9
|
32.6
|
1.0
|
|
O
|
E:HOH405
|
1.9
|
43.4
|
1.0
|
|
OD2
|
E:ASP52
|
2.0
|
41.4
|
1.0
|
|
OD1
|
E:ASP9
|
2.1
|
43.4
|
1.0
|
|
O
|
E:MET54
|
2.5
|
33.8
|
1.0
|
|
CG
|
E:ASP52
|
3.0
|
36.5
|
1.0
|
|
CG
|
E:ASP9
|
3.1
|
46.8
|
1.0
|
|
BE
|
E:BEF301
|
3.2
|
37.6
|
1.0
|
|
OD2
|
E:ASP9
|
3.3
|
53.2
|
1.0
|
|
HB2
|
E:MET54
|
3.4
|
48.7
|
1.0
|
|
OD1
|
E:ASP52
|
3.4
|
30.8
|
1.0
|
|
C
|
E:MET54
|
3.6
|
26.7
|
1.0
|
|
H
|
E:ASP9
|
3.7
|
42.2
|
1.0
|
|
OE2
|
E:GLU8
|
3.7
|
35.2
|
1.0
|
|
HZ1
|
E:LYS101
|
3.8
|
40.8
|
1.0
|
|
F1
|
E:BEF301
|
3.9
|
30.6
|
1.0
|
|
O
|
E:HOH471
|
4.0
|
41.1
|
1.0
|
|
HD23
|
E:LEU55
|
4.0
|
41.0
|
1.0
|
|
H
|
E:MET54
|
4.0
|
42.6
|
1.0
|
|
CB
|
E:MET54
|
4.1
|
40.6
|
1.0
|
|
HE3
|
E:MET54
|
4.2
|
52.3
|
1.0
|
|
CA
|
E:MET54
|
4.2
|
33.0
|
1.0
|
|
CB
|
E:ASP52
|
4.3
|
28.4
|
1.0
|
|
F2
|
E:BEF301
|
4.3
|
29.8
|
1.0
|
|
HB3
|
E:MET54
|
4.3
|
48.7
|
1.0
|
|
HB3
|
E:ASP52
|
4.3
|
34.1
|
1.0
|
|
HA
|
E:LEU55
|
4.4
|
39.4
|
1.0
|
|
N
|
E:MET54
|
4.4
|
35.5
|
1.0
|
|
CB
|
E:ASP9
|
4.4
|
33.4
|
1.0
|
|
N
|
E:ASP9
|
4.5
|
35.2
|
1.0
|
|
HB2
|
E:GLU10
|
4.5
|
40.5
|
1.0
|
|
NZ
|
E:LYS101
|
4.5
|
34.0
|
1.0
|
|
HB2
|
E:ASP52
|
4.6
|
34.1
|
1.0
|
|
HZ2
|
E:LYS101
|
4.6
|
40.8
|
1.0
|
|
CD
|
E:GLU8
|
4.6
|
40.0
|
1.0
|
|
HG
|
E:LEU55
|
4.6
|
38.5
|
1.0
|
|
HD21
|
E:LEU55
|
4.7
|
41.0
|
1.0
|
|
CD2
|
E:LEU55
|
4.7
|
34.2
|
1.0
|
|
HZ3
|
E:LYS101
|
4.7
|
40.8
|
1.0
|
|
N
|
E:LEU55
|
4.7
|
29.1
|
1.0
|
|
HB3
|
E:ASP9
|
4.7
|
40.1
|
1.0
|
|
OE1
|
E:GLU8
|
4.8
|
38.3
|
1.0
|
|
H
|
E:GLU10
|
4.9
|
44.0
|
1.0
|
|
HA
|
E:GLU8
|
4.9
|
30.6
|
1.0
|
|
CA
|
E:ASP9
|
4.9
|
37.8
|
1.0
|
|
Magnesium binding site 6 out
of 8 in 6is1
Go back to
Magnesium Binding Sites List in 6is1
Magnesium binding site 6 out
of 8 in the Crystal Structure of Staphylococcus Aureus Response Regulator Arlr Receiver Domain in Complex with BEF3 and Mg
 Mono view
 Stereo pair view
|
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 6 of Crystal Structure of Staphylococcus Aureus Response Regulator Arlr Receiver Domain in Complex with BEF3 and Mg within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
F:Mg302
b:12.5
occ:1.00
|
F3
|
F:BEF301
|
2.0
|
13.2
|
1.0
|
|
OD2
|
F:ASP52
|
2.1
|
13.3
|
1.0
|
|
OD1
|
F:ASP9
|
2.1
|
14.0
|
1.0
|
|
O
|
F:HOH511
|
2.1
|
13.9
|
1.0
|
|
O
|
F:MET54
|
2.1
|
13.2
|
1.0
|
|
O
|
F:HOH413
|
2.1
|
14.0
|
1.0
|
|
CG
|
F:ASP52
|
3.0
|
11.2
|
1.0
|
|
CG
|
F:ASP9
|
3.0
|
16.1
|
1.0
|
|
BE
|
F:BEF301
|
3.2
|
12.6
|
1.0
|
|
HB2
|
F:MET54
|
3.2
|
19.1
|
1.0
|
|
C
|
F:MET54
|
3.2
|
11.4
|
1.0
|
|
OD1
|
F:ASP52
|
3.3
|
11.8
|
1.0
|
|
OD2
|
F:ASP9
|
3.4
|
21.6
|
1.0
|
|
H
|
F:ASP9
|
3.7
|
14.3
|
1.0
|
|
H
|
F:MET54
|
3.9
|
14.6
|
1.0
|
|
HD23
|
F:LEU55
|
3.9
|
16.5
|
1.0
|
|
OE2
|
F:GLU8
|
3.9
|
15.4
|
1.0
|
|
CA
|
F:MET54
|
4.0
|
12.4
|
1.0
|
|
CB
|
F:MET54
|
4.0
|
16.0
|
1.0
|
|
HA
|
F:LEU55
|
4.0
|
12.9
|
1.0
|
|
F1
|
F:BEF301
|
4.1
|
13.3
|
1.0
|
|
N
|
F:MET54
|
4.1
|
12.2
|
1.0
|
|
O
|
F:HOH581
|
4.2
|
36.5
|
1.0
|
|
O
|
F:HOH539
|
4.2
|
39.0
|
1.0
|
|
O
|
F:HOH487
|
4.3
|
31.3
|
1.0
|
|
F2
|
F:BEF301
|
4.3
|
12.9
|
1.0
|
|
HZ2
|
F:LYS101
|
4.3
|
15.7
|
1.0
|
|
HG
|
F:LEU55
|
4.3
|
14.6
|
1.0
|
|
N
|
F:LEU55
|
4.3
|
12.8
|
1.0
|
|
HB3
|
F:MET54
|
4.3
|
19.1
|
1.0
|
|
CB
|
F:ASP52
|
4.4
|
9.7
|
1.0
|
|
HB3
|
F:ASP52
|
4.4
|
11.6
|
1.0
|
|
H
|
F:GLU10
|
4.4
|
13.5
|
1.0
|
|
CB
|
F:ASP9
|
4.4
|
11.8
|
1.0
|
|
O
|
F:HOH565
|
4.5
|
33.8
|
1.0
|
|
N
|
F:ASP9
|
4.5
|
11.9
|
1.0
|
|
O
|
F:HOH529
|
4.5
|
29.5
|
1.0
|
|
HZ1
|
F:LYS101
|
4.6
|
15.7
|
1.0
|
|
CD2
|
F:LEU55
|
4.6
|
13.7
|
1.0
|
|
HD21
|
F:LEU55
|
4.6
|
16.5
|
1.0
|
|
CA
|
F:LEU55
|
4.7
|
10.8
|
1.0
|
|
HB3
|
F:ASP9
|
4.7
|
14.1
|
1.0
|
|
HB2
|
F:ASP52
|
4.7
|
11.6
|
1.0
|
|
NZ
|
F:LYS101
|
4.8
|
13.1
|
1.0
|
|
CD
|
F:GLU8
|
4.8
|
15.0
|
1.0
|
|
HA
|
F:MET54
|
4.9
|
14.8
|
1.0
|
|
CG
|
F:LEU55
|
4.9
|
12.2
|
1.0
|
|
CA
|
F:ASP9
|
4.9
|
12.1
|
1.0
|
|
N
|
F:GLU10
|
4.9
|
11.3
|
1.0
|
|
HZ3
|
F:LYS101
|
4.9
|
15.7
|
1.0
|
|
HB2
|
F:GLU10
|
4.9
|
18.6
|
1.0
|
|
H
|
F:LEU53
|
4.9
|
13.5
|
1.0
|
|
HA
|
F:GLU8
|
5.0
|
11.1
|
1.0
|
|
Magnesium binding site 7 out
of 8 in 6is1
Go back to
Magnesium Binding Sites List in 6is1
Magnesium binding site 7 out
of 8 in the Crystal Structure of Staphylococcus Aureus Response Regulator Arlr Receiver Domain in Complex with BEF3 and Mg
 Mono view
 Stereo pair view
|
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 7 of Crystal Structure of Staphylococcus Aureus Response Regulator Arlr Receiver Domain in Complex with BEF3 and Mg within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
G:Mg302
b:22.8
occ:1.00
|
F1
|
G:BEF301
|
2.0
|
21.9
|
1.0
|
|
O
|
G:HOH441
|
2.0
|
25.4
|
1.0
|
|
OD2
|
G:ASP52
|
2.0
|
20.9
|
1.0
|
|
OD1
|
G:ASP9
|
2.1
|
25.9
|
1.0
|
|
O
|
G:MET54
|
2.2
|
23.1
|
1.0
|
|
CG
|
G:ASP52
|
3.0
|
21.8
|
1.0
|
|
BE
|
G:BEF301
|
3.1
|
24.8
|
1.0
|
|
CG
|
G:ASP9
|
3.1
|
36.4
|
1.0
|
|
HB2
|
G:MET54
|
3.4
|
29.9
|
1.0
|
|
OD1
|
G:ASP52
|
3.4
|
21.8
|
1.0
|
|
C
|
G:MET54
|
3.4
|
17.2
|
1.0
|
|
OD2
|
G:ASP9
|
3.5
|
36.2
|
1.0
|
|
H
|
G:ASP9
|
3.6
|
26.1
|
1.0
|
|
HD23
|
G:LEU55
|
3.9
|
33.4
|
1.0
|
|
OE2
|
G:GLU8
|
3.9
|
27.6
|
1.0
|
|
H
|
G:MET54
|
4.0
|
25.1
|
1.0
|
|
F2
|
G:BEF301
|
4.0
|
21.8
|
1.0
|
|
CB
|
G:MET54
|
4.1
|
24.9
|
1.0
|
|
O
|
G:HOH502
|
4.1
|
40.5
|
1.0
|
|
CA
|
G:MET54
|
4.1
|
22.9
|
1.0
|
|
HZ2
|
G:LYS101
|
4.2
|
28.5
|
1.0
|
|
HA
|
G:LEU55
|
4.2
|
29.4
|
1.0
|
|
F3
|
G:BEF301
|
4.2
|
20.0
|
1.0
|
|
N
|
G:MET54
|
4.3
|
20.9
|
1.0
|
|
HB3
|
G:MET54
|
4.3
|
29.9
|
1.0
|
|
HG
|
G:LEU55
|
4.3
|
31.6
|
1.0
|
|
CB
|
G:ASP52
|
4.3
|
21.4
|
1.0
|
|
HB3
|
G:ASP52
|
4.4
|
25.7
|
1.0
|
|
HE3
|
G:MET54
|
4.4
|
42.9
|
1.0
|
|
O
|
G:HOH476
|
4.4
|
34.2
|
1.0
|
|
H
|
G:GLU10
|
4.4
|
33.6
|
1.0
|
|
N
|
G:ASP9
|
4.4
|
21.8
|
1.0
|
|
CB
|
G:ASP9
|
4.4
|
21.5
|
1.0
|
|
HZ1
|
G:LYS101
|
4.5
|
28.5
|
1.0
|
|
N
|
G:LEU55
|
4.5
|
24.6
|
1.0
|
|
HD21
|
G:LEU55
|
4.5
|
33.4
|
1.0
|
|
CD2
|
G:LEU55
|
4.6
|
27.8
|
1.0
|
|
HB2
|
G:GLU10
|
4.6
|
40.3
|
1.0
|
|
O
|
G:HOH497
|
4.6
|
36.3
|
1.0
|
|
HB2
|
G:ASP52
|
4.7
|
25.7
|
1.0
|
|
NZ
|
G:LYS101
|
4.7
|
23.8
|
1.0
|
|
HB3
|
G:ASP9
|
4.7
|
25.8
|
1.0
|
|
HZ3
|
G:LYS101
|
4.8
|
28.5
|
1.0
|
|
CD
|
G:GLU8
|
4.8
|
31.9
|
1.0
|
|
CA
|
G:LEU55
|
4.8
|
24.5
|
1.0
|
|
CA
|
G:ASP9
|
4.9
|
27.1
|
1.0
|
|
N
|
G:GLU10
|
4.9
|
28.0
|
1.0
|
|
HA
|
G:GLU8
|
4.9
|
23.7
|
1.0
|
|
CG
|
G:LEU55
|
5.0
|
26.4
|
1.0
|
|
OE1
|
G:GLU8
|
5.0
|
24.2
|
1.0
|
|
Magnesium binding site 8 out
of 8 in 6is1
Go back to
Magnesium Binding Sites List in 6is1
Magnesium binding site 8 out
of 8 in the Crystal Structure of Staphylococcus Aureus Response Regulator Arlr Receiver Domain in Complex with BEF3 and Mg
 Mono view
 Stereo pair view
|
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 8 of Crystal Structure of Staphylococcus Aureus Response Regulator Arlr Receiver Domain in Complex with BEF3 and Mg within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
H:Mg302
b:13.7
occ:1.00
|
F2
|
H:BEF301
|
1.9
|
15.1
|
1.0
|
|
OD1
|
H:ASP9
|
2.0
|
15.8
|
1.0
|
|
OD2
|
H:ASP52
|
2.0
|
12.2
|
1.0
|
|
O
|
H:MET54
|
2.1
|
16.7
|
1.0
|
|
O
|
H:HOH495
|
2.1
|
16.9
|
1.0
|
|
O
|
H:HOH414
|
2.1
|
16.2
|
1.0
|
|
CG
|
H:ASP52
|
3.0
|
10.7
|
1.0
|
|
CG
|
H:ASP9
|
3.1
|
18.9
|
1.0
|
|
BE
|
H:BEF301
|
3.1
|
16.4
|
1.0
|
|
C
|
H:MET54
|
3.2
|
16.6
|
1.0
|
|
HB2
|
H:MET54
|
3.2
|
21.7
|
0.6
|
|
HB2
|
H:MET54
|
3.3
|
21.8
|
0.4
|
|
OD1
|
H:ASP52
|
3.3
|
12.9
|
1.0
|
|
OD2
|
H:ASP9
|
3.4
|
23.8
|
1.0
|
|
H
|
H:ASP9
|
3.7
|
15.8
|
1.0
|
|
H
|
H:MET54
|
3.9
|
17.8
|
1.0
|
|
HD23
|
H:LEU55
|
3.9
|
16.6
|
1.0
|
|
CA
|
H:MET54
|
4.0
|
15.7
|
0.4
|
|
CA
|
H:MET54
|
4.0
|
15.0
|
0.6
|
|
OE2
|
H:GLU8
|
4.0
|
14.6
|
1.0
|
|
CB
|
H:MET54
|
4.0
|
18.2
|
0.4
|
|
CB
|
H:MET54
|
4.0
|
18.1
|
0.6
|
|
F3
|
H:BEF301
|
4.0
|
17.0
|
1.0
|
|
HA
|
H:LEU55
|
4.1
|
19.5
|
1.0
|
|
N
|
H:MET54
|
4.1
|
14.8
|
1.0
|
|
O
|
H:HOH573
|
4.2
|
28.4
|
1.0
|
|
O
|
H:HOH471
|
4.2
|
34.5
|
1.0
|
|
O
|
H:HOH580
|
4.2
|
41.1
|
1.0
|
|
HB3
|
H:MET54
|
4.2
|
21.8
|
0.4
|
|
HZ3
|
H:LYS101
|
4.3
|
19.5
|
1.0
|
|
F1
|
H:BEF301
|
4.3
|
15.2
|
1.0
|
|
N
|
H:LEU55
|
4.3
|
16.0
|
1.0
|
|
HG
|
H:LEU55
|
4.3
|
16.8
|
1.0
|
|
O
|
H:HOH543
|
4.3
|
43.1
|
1.0
|
|
CB
|
H:ASP52
|
4.4
|
11.7
|
1.0
|
|
HB3
|
H:ASP52
|
4.4
|
14.1
|
1.0
|
|
HB3
|
H:MET54
|
4.4
|
21.7
|
0.6
|
|
H
|
H:GLU10
|
4.4
|
19.1
|
1.0
|
|
CB
|
H:ASP9
|
4.5
|
19.7
|
1.0
|
|
N
|
H:ASP9
|
4.5
|
13.2
|
1.0
|
|
O
|
H:HOH567
|
4.5
|
30.8
|
1.0
|
|
HZ2
|
H:LYS101
|
4.6
|
19.5
|
1.0
|
|
CD2
|
H:LEU55
|
4.6
|
13.9
|
1.0
|
|
CA
|
H:LEU55
|
4.7
|
16.2
|
1.0
|
|
HD21
|
H:LEU55
|
4.7
|
16.6
|
1.0
|
|
HB3
|
H:ASP9
|
4.7
|
23.7
|
1.0
|
|
HB2
|
H:ASP52
|
4.7
|
14.1
|
1.0
|
|
NZ
|
H:LYS101
|
4.8
|
16.3
|
1.0
|
|
CD
|
H:GLU8
|
4.9
|
13.7
|
1.0
|
|
HA
|
H:MET54
|
4.9
|
18.9
|
1.0
|
|
H
|
H:LEU53
|
4.9
|
14.7
|
1.0
|
|
CG
|
H:LEU55
|
4.9
|
14.1
|
1.0
|
|
CA
|
H:ASP9
|
4.9
|
14.4
|
1.0
|
|
HZ1
|
H:LYS101
|
4.9
|
19.5
|
1.0
|
|
N
|
H:GLU10
|
5.0
|
15.9
|
1.0
|
|
Reference:
Y.Wen,
Z.Ouyang.
Crystal Structure of Staphylococcus Aureus Response Regulator Arlr Receiver Domain in Complex with BEF3 and Mg To Be Published.
Page generated: Tue Oct 1 03:54:33 2024
|
