Magnesium in PDB 8a4d: 1-Deoxy-D-Xylulose 5-Phosphate Synthase From Pseudomonas Aeruginosa with Thiamine Analog Inhibitor
Enzymatic activity of 1-Deoxy-D-Xylulose 5-Phosphate Synthase From Pseudomonas Aeruginosa with Thiamine Analog Inhibitor
All present enzymatic activity of 1-Deoxy-D-Xylulose 5-Phosphate Synthase From Pseudomonas Aeruginosa with Thiamine Analog Inhibitor:
2.2.1.7;
Protein crystallography data
The structure of 1-Deoxy-D-Xylulose 5-Phosphate Synthase From Pseudomonas Aeruginosa with Thiamine Analog Inhibitor, PDB code: 8a4d
was solved by
R.Hamid,
A.Hirsch,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
48.54 /
2.20
|
Space group
|
P 21 21 21
|
Cell size a, b, c (Å), α, β, γ (°)
|
116.618,
137.618,
231.681,
90,
90,
90
|
R / Rfree (%)
|
17.6 /
24.1
|
Other elements in 8a4d:
The structure of 1-Deoxy-D-Xylulose 5-Phosphate Synthase From Pseudomonas Aeruginosa with Thiamine Analog Inhibitor also contains other interesting chemical elements:
Magnesium Binding Sites:
Pages:
>>> Page 1 <<<
Page 2, Binding sites: 11 -
11;
Binding sites:
The binding sites of Magnesium atom in the 1-Deoxy-D-Xylulose 5-Phosphate Synthase From Pseudomonas Aeruginosa with Thiamine Analog Inhibitor
(pdb code 8a4d). This binding sites where shown within
5.0 Angstroms radius around Magnesium atom.
In total 11 binding sites of Magnesium where determined in the
1-Deoxy-D-Xylulose 5-Phosphate Synthase From Pseudomonas Aeruginosa with Thiamine Analog Inhibitor, PDB code: 8a4d:
Jump to Magnesium binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Magnesium binding site 1 out
of 11 in 8a4d
Go back to
Magnesium Binding Sites List in 8a4d
Magnesium binding site 1 out
of 11 in the 1-Deoxy-D-Xylulose 5-Phosphate Synthase From Pseudomonas Aeruginosa with Thiamine Analog Inhibitor
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 1 of 1-Deoxy-D-Xylulose 5-Phosphate Synthase From Pseudomonas Aeruginosa with Thiamine Analog Inhibitor within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg702
b:37.9
occ:1.00
|
OD1
|
A:ASN216
|
2.8
|
31.2
|
1.0
|
OD1
|
A:ASP187
|
2.8
|
29.1
|
1.0
|
O
|
A:HOH861
|
2.9
|
28.1
|
1.0
|
O
|
A:HOH1093
|
2.9
|
28.9
|
1.0
|
HD21
|
A:ASN216
|
3.2
|
39.5
|
1.0
|
H
|
A:GLY188
|
3.4
|
26.2
|
1.0
|
CG
|
A:ASN216
|
3.5
|
32.6
|
1.0
|
CG
|
A:ASP187
|
3.5
|
29.7
|
1.0
|
ND2
|
A:ASN216
|
3.6
|
33.0
|
1.0
|
H
|
A:ASP187
|
3.7
|
28.5
|
1.0
|
OD2
|
A:ASP187
|
3.7
|
21.9
|
1.0
|
OD2
|
A:ASP217
|
3.7
|
55.9
|
1.0
|
H
|
A:ASN216
|
3.9
|
37.0
|
1.0
|
O
|
A:HOH1107
|
4.0
|
29.8
|
1.0
|
N
|
A:GLY188
|
4.2
|
21.9
|
1.0
|
N
|
A:ASP187
|
4.2
|
23.8
|
1.0
|
HA3
|
A:GLY186
|
4.2
|
26.7
|
1.0
|
O
|
A:HOH1112
|
4.4
|
24.6
|
1.0
|
HD22
|
A:ASN216
|
4.4
|
39.5
|
1.0
|
HA3
|
A:GLY188
|
4.6
|
30.0
|
1.0
|
N
|
A:ASN216
|
4.7
|
30.9
|
1.0
|
CB
|
A:ASP187
|
4.8
|
26.4
|
1.0
|
O
|
A:ASN214
|
4.8
|
23.7
|
1.0
|
CB
|
A:ASN216
|
4.8
|
31.2
|
1.0
|
CG
|
A:ASP217
|
4.8
|
48.6
|
1.0
|
C
|
A:GLY186
|
4.8
|
28.3
|
1.0
|
CA
|
A:GLY186
|
4.8
|
22.3
|
1.0
|
HA2
|
A:GLY186
|
4.8
|
26.7
|
1.0
|
CA
|
A:ASP187
|
4.9
|
25.3
|
1.0
|
CA
|
A:GLY188
|
5.0
|
25.0
|
1.0
|
CE
|
A:LYS286
|
5.0
|
38.6
|
1.0
|
|
Magnesium binding site 2 out
of 11 in 8a4d
Go back to
Magnesium Binding Sites List in 8a4d
Magnesium binding site 2 out
of 11 in the 1-Deoxy-D-Xylulose 5-Phosphate Synthase From Pseudomonas Aeruginosa with Thiamine Analog Inhibitor
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 2 of 1-Deoxy-D-Xylulose 5-Phosphate Synthase From Pseudomonas Aeruginosa with Thiamine Analog Inhibitor within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg703
b:32.8
occ:1.00
|
O
|
A:GLY299
|
2.3
|
25.6
|
1.0
|
O
|
A:ALA302
|
2.5
|
25.8
|
1.0
|
O
|
A:HOH991
|
2.6
|
28.8
|
1.0
|
O
|
A:HOH1007
|
2.8
|
34.6
|
1.0
|
O
|
A:HOH1113
|
2.9
|
41.3
|
1.0
|
C
|
A:GLY299
|
3.4
|
26.6
|
1.0
|
HA2
|
A:GLY299
|
3.6
|
29.4
|
1.0
|
HA
|
A:ILE303
|
3.6
|
35.7
|
1.0
|
C
|
A:ALA302
|
3.7
|
25.6
|
1.0
|
HG22
|
A:ILE303
|
3.8
|
31.2
|
1.0
|
H
|
A:ALA302
|
3.8
|
30.2
|
1.0
|
CA
|
A:GLY299
|
4.0
|
24.6
|
1.0
|
HA
|
A:TYR300
|
4.3
|
30.5
|
1.0
|
HA3
|
A:GLY299
|
4.4
|
29.4
|
1.0
|
O
|
A:HOH999
|
4.5
|
30.4
|
1.0
|
CA
|
A:ILE303
|
4.5
|
29.8
|
1.0
|
N
|
A:TYR300
|
4.5
|
21.5
|
1.0
|
N
|
A:ILE303
|
4.5
|
25.9
|
1.0
|
N
|
A:ALA302
|
4.6
|
25.2
|
1.0
|
CG2
|
A:ILE303
|
4.6
|
26.1
|
1.0
|
HB3
|
A:ALA302
|
4.7
|
39.6
|
1.0
|
O
|
A:ILE298
|
4.7
|
28.4
|
1.0
|
CA
|
A:ALA302
|
4.7
|
29.2
|
1.0
|
HG23
|
A:ILE303
|
4.8
|
31.2
|
1.0
|
CA
|
A:TYR300
|
4.9
|
25.5
|
1.0
|
|
Magnesium binding site 3 out
of 11 in 8a4d
Go back to
Magnesium Binding Sites List in 8a4d
Magnesium binding site 3 out
of 11 in the 1-Deoxy-D-Xylulose 5-Phosphate Synthase From Pseudomonas Aeruginosa with Thiamine Analog Inhibitor
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 3 of 1-Deoxy-D-Xylulose 5-Phosphate Synthase From Pseudomonas Aeruginosa with Thiamine Analog Inhibitor within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mg702
b:39.6
occ:1.00
|
OD1
|
B:ASP187
|
2.4
|
37.6
|
1.0
|
OD1
|
B:ASN216
|
2.5
|
41.1
|
1.0
|
O
|
B:HOH958
|
2.6
|
27.5
|
1.0
|
HD22
|
B:ASN216
|
2.9
|
53.6
|
1.0
|
CG
|
B:ASN216
|
3.2
|
40.1
|
1.0
|
CG
|
B:ASP187
|
3.2
|
31.9
|
1.0
|
ND2
|
B:ASN216
|
3.3
|
44.7
|
1.0
|
H
|
B:GLY188
|
3.4
|
31.6
|
1.0
|
OD2
|
B:ASP187
|
3.5
|
32.2
|
1.0
|
H
|
B:ASP187
|
3.6
|
33.4
|
1.0
|
O
|
B:HOH1087
|
3.7
|
27.6
|
1.0
|
H
|
B:ASN216
|
3.8
|
37.5
|
1.0
|
HD21
|
B:ASN216
|
4.1
|
53.6
|
1.0
|
OD1
|
B:ASP217
|
4.1
|
45.8
|
1.0
|
O
|
B:HOH1062
|
4.1
|
36.5
|
1.0
|
N
|
B:GLY188
|
4.2
|
26.4
|
1.0
|
N
|
B:ASP187
|
4.2
|
27.9
|
1.0
|
O
|
B:HOH1067
|
4.3
|
25.9
|
1.0
|
HA3
|
B:GLY186
|
4.3
|
28.3
|
1.0
|
CB
|
B:ASN216
|
4.5
|
32.2
|
1.0
|
CB
|
B:ASP187
|
4.5
|
25.9
|
1.0
|
N
|
B:ASN216
|
4.6
|
31.3
|
1.0
|
HA3
|
B:GLY188
|
4.7
|
23.2
|
1.0
|
CE
|
B:LYS286
|
4.7
|
54.0
|
1.0
|
O
|
B:ASN214
|
4.7
|
27.0
|
1.0
|
CA
|
B:ASP187
|
4.8
|
23.1
|
1.0
|
HB3
|
B:ASN216
|
4.8
|
38.5
|
1.0
|
HA2
|
B:GLY186
|
4.8
|
28.3
|
1.0
|
CA
|
B:GLY186
|
4.9
|
23.6
|
1.0
|
C
|
B:GLY186
|
4.9
|
25.7
|
1.0
|
NZ
|
B:LYS286
|
4.9
|
61.6
|
1.0
|
C
|
B:ASP187
|
4.9
|
27.4
|
1.0
|
HB3
|
B:ASP187
|
5.0
|
31.0
|
1.0
|
CA
|
B:ASN216
|
5.0
|
39.4
|
1.0
|
|
Magnesium binding site 4 out
of 11 in 8a4d
Go back to
Magnesium Binding Sites List in 8a4d
Magnesium binding site 4 out
of 11 in the 1-Deoxy-D-Xylulose 5-Phosphate Synthase From Pseudomonas Aeruginosa with Thiamine Analog Inhibitor
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 4 of 1-Deoxy-D-Xylulose 5-Phosphate Synthase From Pseudomonas Aeruginosa with Thiamine Analog Inhibitor within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Mg702
b:44.4
occ:1.00
|
OD1
|
C:ASP187
|
2.6
|
41.2
|
1.0
|
O
|
C:HOH858
|
2.7
|
39.2
|
1.0
|
OD2
|
C:ASP217
|
2.8
|
64.9
|
1.0
|
OD1
|
C:ASN216
|
2.9
|
50.2
|
1.0
|
O
|
C:HOH982
|
3.1
|
52.2
|
1.0
|
H
|
C:GLY188
|
3.2
|
34.3
|
1.0
|
CG
|
C:ASP187
|
3.4
|
36.2
|
1.0
|
HD21
|
C:ASN216
|
3.6
|
50.0
|
1.0
|
H
|
C:ASP187
|
3.6
|
45.2
|
1.0
|
CG
|
C:ASN216
|
3.6
|
46.3
|
1.0
|
H
|
C:ASN216
|
3.6
|
52.9
|
1.0
|
OD2
|
C:ASP187
|
3.7
|
52.4
|
1.0
|
O
|
C:HOH1073
|
3.7
|
40.7
|
1.0
|
O
|
C:HOH1079
|
3.9
|
32.7
|
1.0
|
ND2
|
C:ASN216
|
3.9
|
41.7
|
1.0
|
N
|
C:GLY188
|
4.0
|
28.6
|
1.0
|
CG
|
C:ASP217
|
4.0
|
64.8
|
1.0
|
N
|
C:ASP187
|
4.1
|
37.8
|
1.0
|
H
|
C:ASP217
|
4.2
|
73.4
|
1.0
|
HA3
|
C:GLY186
|
4.3
|
31.4
|
1.0
|
HB2
|
C:ASP217
|
4.5
|
71.8
|
1.0
|
N
|
C:ASN216
|
4.5
|
44.1
|
1.0
|
HA3
|
C:GLY188
|
4.5
|
37.3
|
1.0
|
N
|
C:ASP217
|
4.6
|
61.2
|
1.0
|
CB
|
C:ASP187
|
4.6
|
33.5
|
1.0
|
HD22
|
C:ASN216
|
4.7
|
50.0
|
1.0
|
CA
|
C:ASP187
|
4.7
|
32.4
|
1.0
|
O
|
C:ASN214
|
4.7
|
26.2
|
1.0
|
O
|
C:HOH1057
|
4.8
|
45.4
|
1.0
|
C
|
C:ASP187
|
4.8
|
33.7
|
1.0
|
CB
|
C:ASP217
|
4.8
|
59.9
|
1.0
|
CA
|
C:GLY188
|
4.8
|
31.1
|
1.0
|
C
|
C:GLY186
|
4.8
|
33.8
|
1.0
|
HA
|
C:ASP215
|
4.8
|
40.0
|
1.0
|
CB
|
C:ASN216
|
4.8
|
45.7
|
1.0
|
OD1
|
C:ASP217
|
4.9
|
72.3
|
1.0
|
CA
|
C:GLY186
|
4.9
|
26.2
|
1.0
|
C
|
C:ASN216
|
4.9
|
59.9
|
1.0
|
CA
|
C:ASN216
|
5.0
|
47.5
|
1.0
|
HA2
|
C:GLY186
|
5.0
|
31.4
|
1.0
|
|
Magnesium binding site 5 out
of 11 in 8a4d
Go back to
Magnesium Binding Sites List in 8a4d
Magnesium binding site 5 out
of 11 in the 1-Deoxy-D-Xylulose 5-Phosphate Synthase From Pseudomonas Aeruginosa with Thiamine Analog Inhibitor
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 5 of 1-Deoxy-D-Xylulose 5-Phosphate Synthase From Pseudomonas Aeruginosa with Thiamine Analog Inhibitor within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Mg703
b:37.0
occ:1.00
|
HB3
|
C:ASP273
|
3.5
|
62.8
|
1.0
|
CB
|
C:ASP273
|
4.4
|
52.4
|
1.0
|
CG
|
C:ASP273
|
4.6
|
56.6
|
1.0
|
OD2
|
C:ASP273
|
4.7
|
53.0
|
1.0
|
HB2
|
C:ASP273
|
4.7
|
62.8
|
1.0
|
O
|
C:ASP273
|
4.9
|
47.4
|
1.0
|
|
Magnesium binding site 6 out
of 11 in 8a4d
Go back to
Magnesium Binding Sites List in 8a4d
Magnesium binding site 6 out
of 11 in the 1-Deoxy-D-Xylulose 5-Phosphate Synthase From Pseudomonas Aeruginosa with Thiamine Analog Inhibitor
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 6 of 1-Deoxy-D-Xylulose 5-Phosphate Synthase From Pseudomonas Aeruginosa with Thiamine Analog Inhibitor within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Mg702
b:50.0
occ:1.00
|
OD1
|
D:ASP187
|
2.5
|
50.5
|
1.0
|
O
|
D:HOH847
|
2.7
|
47.2
|
1.0
|
OD2
|
D:ASP217
|
2.8
|
78.1
|
1.0
|
H
|
D:GLY188
|
2.8
|
33.3
|
1.0
|
OD1
|
D:ASN216
|
3.0
|
84.3
|
1.0
|
O
|
D:HOH1079
|
3.0
|
37.0
|
1.0
|
H
|
D:ASP187
|
3.1
|
38.3
|
1.0
|
O
|
D:HOH1064
|
3.1
|
45.8
|
1.0
|
CG
|
D:ASP187
|
3.4
|
39.0
|
1.0
|
HD21
|
D:ASN216
|
3.6
|
95.8
|
1.0
|
N
|
D:ASP187
|
3.6
|
32.0
|
1.0
|
HA3
|
D:GLY186
|
3.6
|
37.6
|
1.0
|
N
|
D:GLY188
|
3.7
|
27.8
|
1.0
|
OD2
|
D:ASP187
|
3.9
|
52.2
|
1.0
|
CG
|
D:ASN216
|
3.9
|
81.0
|
1.0
|
CG
|
D:ASP217
|
4.0
|
90.3
|
1.0
|
ND2
|
D:ASN216
|
4.1
|
79.9
|
1.0
|
H
|
D:ASP217
|
4.2
|
95.5
|
1.0
|
HA3
|
D:GLY188
|
4.2
|
32.6
|
1.0
|
H
|
D:ASN216
|
4.2
|
83.7
|
1.0
|
CA
|
D:GLY186
|
4.3
|
31.4
|
1.0
|
C
|
D:GLY186
|
4.3
|
30.9
|
1.0
|
CA
|
D:ASP187
|
4.4
|
31.6
|
1.0
|
HB2
|
D:ASP217
|
4.4
|
108.8
|
1.0
|
HA2
|
D:GLY186
|
4.4
|
37.6
|
1.0
|
CB
|
D:ASP187
|
4.5
|
35.4
|
1.0
|
C
|
D:ASP187
|
4.5
|
31.3
|
1.0
|
CA
|
D:GLY188
|
4.5
|
27.2
|
1.0
|
O
|
D:ASN214
|
4.6
|
40.5
|
1.0
|
CB
|
D:ASP217
|
4.8
|
90.7
|
1.0
|
H
|
D:ALA189
|
4.8
|
34.5
|
1.0
|
OD1
|
D:ASP217
|
4.8
|
94.7
|
1.0
|
N
|
D:ASP217
|
4.9
|
79.6
|
1.0
|
HB3
|
D:ASP187
|
4.9
|
42.4
|
1.0
|
HD22
|
D:ASN216
|
4.9
|
95.8
|
1.0
|
|
Magnesium binding site 7 out
of 11 in 8a4d
Go back to
Magnesium Binding Sites List in 8a4d
Magnesium binding site 7 out
of 11 in the 1-Deoxy-D-Xylulose 5-Phosphate Synthase From Pseudomonas Aeruginosa with Thiamine Analog Inhibitor
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 7 of 1-Deoxy-D-Xylulose 5-Phosphate Synthase From Pseudomonas Aeruginosa with Thiamine Analog Inhibitor within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Mg702
b:42.2
occ:1.00
|
OD2
|
E:ASP217
|
2.4
|
68.2
|
1.0
|
OD1
|
E:ASP187
|
2.6
|
36.4
|
1.0
|
OD1
|
E:ASN216
|
2.9
|
52.3
|
1.0
|
H
|
E:GLY188
|
3.2
|
35.6
|
1.0
|
CG
|
E:ASP187
|
3.3
|
35.3
|
1.0
|
CG
|
E:ASP217
|
3.5
|
75.1
|
1.0
|
OD2
|
E:ASP187
|
3.5
|
43.6
|
1.0
|
H
|
E:ASP187
|
3.6
|
28.9
|
1.0
|
CG
|
E:ASN216
|
3.7
|
52.0
|
1.0
|
O
|
E:HOH1102
|
3.8
|
31.9
|
1.0
|
H
|
E:ASN216
|
3.8
|
53.7
|
1.0
|
HD22
|
E:ASN216
|
3.8
|
82.2
|
1.0
|
N
|
E:GLY188
|
3.9
|
29.7
|
1.0
|
O
|
E:HOH1075
|
4.0
|
37.3
|
1.0
|
ND2
|
E:ASN216
|
4.1
|
68.5
|
1.0
|
N
|
E:ASP187
|
4.1
|
24.1
|
1.0
|
OD1
|
E:ASP217
|
4.2
|
79.4
|
1.0
|
HA3
|
E:GLY186
|
4.3
|
27.9
|
1.0
|
HB2
|
E:ASP217
|
4.3
|
91.3
|
1.0
|
HA3
|
E:GLY188
|
4.3
|
29.9
|
1.0
|
N
|
E:ASN216
|
4.5
|
44.8
|
1.0
|
CB
|
E:ASP217
|
4.6
|
76.1
|
1.0
|
CB
|
E:ASP187
|
4.6
|
32.9
|
1.0
|
CA
|
E:ASP187
|
4.7
|
27.7
|
1.0
|
CA
|
E:GLY188
|
4.7
|
25.0
|
1.0
|
C
|
E:ASP187
|
4.7
|
34.5
|
1.0
|
C
|
E:GLY186
|
4.8
|
26.7
|
1.0
|
O
|
E:ASN214
|
4.8
|
29.3
|
1.0
|
HD21
|
E:ASN216
|
4.8
|
82.2
|
1.0
|
C
|
E:ASN216
|
4.8
|
57.1
|
1.0
|
CB
|
E:ASN216
|
4.8
|
49.8
|
1.0
|
HA2
|
E:GLY186
|
4.9
|
27.9
|
1.0
|
N
|
E:ASP217
|
4.9
|
69.4
|
1.0
|
CA
|
E:GLY186
|
4.9
|
23.3
|
1.0
|
H
|
E:ASP217
|
4.9
|
83.3
|
1.0
|
CA
|
E:ASN216
|
5.0
|
46.1
|
1.0
|
HA
|
E:ASP215
|
5.0
|
31.1
|
1.0
|
|
Magnesium binding site 8 out
of 11 in 8a4d
Go back to
Magnesium Binding Sites List in 8a4d
Magnesium binding site 8 out
of 11 in the 1-Deoxy-D-Xylulose 5-Phosphate Synthase From Pseudomonas Aeruginosa with Thiamine Analog Inhibitor
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 8 of 1-Deoxy-D-Xylulose 5-Phosphate Synthase From Pseudomonas Aeruginosa with Thiamine Analog Inhibitor within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Mg703
b:26.2
occ:1.00
|
O
|
E:HOH1093
|
2.3
|
36.3
|
1.0
|
OD2
|
E:ASP488
|
2.4
|
25.6
|
1.0
|
OD2
|
E:ASP486
|
2.5
|
30.7
|
1.0
|
O
|
E:HOH1054
|
2.6
|
45.6
|
1.0
|
OD1
|
E:ASP486
|
2.9
|
26.7
|
1.0
|
CG
|
E:ASP486
|
3.1
|
30.4
|
1.0
|
HB2
|
E:ASP488
|
3.3
|
26.9
|
1.0
|
CG
|
E:ASP488
|
3.5
|
22.9
|
1.0
|
CB
|
E:ASP488
|
3.9
|
22.5
|
1.0
|
O
|
E:HOH803
|
4.2
|
24.5
|
1.0
|
H
|
E:ASP488
|
4.3
|
33.1
|
1.0
|
HB3
|
E:ASP488
|
4.3
|
26.9
|
1.0
|
CB
|
E:ASP486
|
4.6
|
28.3
|
1.0
|
OD1
|
E:ASP488
|
4.6
|
17.1
|
1.0
|
HD2
|
E:PRO487
|
4.6
|
26.4
|
1.0
|
HB2
|
E:ASP486
|
4.9
|
33.9
|
1.0
|
O
|
E:HOH1091
|
4.9
|
33.9
|
1.0
|
N
|
E:ASP488
|
5.0
|
27.6
|
1.0
|
HB3
|
E:ASP486
|
5.0
|
33.9
|
1.0
|
|
Magnesium binding site 9 out
of 11 in 8a4d
Go back to
Magnesium Binding Sites List in 8a4d
Magnesium binding site 9 out
of 11 in the 1-Deoxy-D-Xylulose 5-Phosphate Synthase From Pseudomonas Aeruginosa with Thiamine Analog Inhibitor
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 9 of 1-Deoxy-D-Xylulose 5-Phosphate Synthase From Pseudomonas Aeruginosa with Thiamine Analog Inhibitor within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
F:Mg703
b:22.8
occ:1.00
|
OD2
|
F:ASP488
|
2.2
|
32.7
|
1.0
|
OD2
|
F:ASP486
|
2.4
|
27.3
|
1.0
|
O
|
F:HOH1091
|
2.6
|
36.8
|
1.0
|
O
|
F:HOH1048
|
2.6
|
40.1
|
1.0
|
O
|
F:HOH1108
|
2.7
|
49.7
|
1.0
|
OD1
|
F:ASP486
|
2.8
|
26.1
|
1.0
|
HB2
|
F:ASP488
|
2.9
|
31.0
|
1.0
|
CG
|
F:ASP486
|
3.0
|
31.5
|
1.0
|
CG
|
F:ASP488
|
3.1
|
26.6
|
1.0
|
CB
|
F:ASP488
|
3.5
|
25.9
|
1.0
|
H
|
F:ASP488
|
4.0
|
26.9
|
1.0
|
HB3
|
F:ASP488
|
4.0
|
31.0
|
1.0
|
OD1
|
F:ASP488
|
4.2
|
25.6
|
1.0
|
O
|
F:HOH802
|
4.3
|
27.3
|
1.0
|
HD2
|
F:PRO487
|
4.5
|
29.6
|
1.0
|
CB
|
F:ASP486
|
4.5
|
27.8
|
1.0
|
N
|
F:ASP488
|
4.7
|
22.5
|
1.0
|
O
|
F:HOH1129
|
4.7
|
44.1
|
1.0
|
O
|
F:HOH1105
|
4.7
|
33.0
|
1.0
|
CA
|
F:ASP488
|
4.7
|
26.9
|
1.0
|
HB2
|
F:ASP486
|
4.8
|
33.3
|
1.0
|
HB3
|
F:ASP486
|
4.9
|
33.3
|
1.0
|
|
Magnesium binding site 10 out
of 11 in 8a4d
Go back to
Magnesium Binding Sites List in 8a4d
Magnesium binding site 10 out
of 11 in the 1-Deoxy-D-Xylulose 5-Phosphate Synthase From Pseudomonas Aeruginosa with Thiamine Analog Inhibitor
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 10 of 1-Deoxy-D-Xylulose 5-Phosphate Synthase From Pseudomonas Aeruginosa with Thiamine Analog Inhibitor within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
F:Mg704
b:46.8
occ:1.00
|
O
|
F:HOH849
|
2.4
|
36.5
|
1.0
|
OD2
|
F:ASP217
|
2.6
|
79.2
|
1.0
|
OD1
|
F:ASN216
|
2.8
|
50.8
|
1.0
|
OD2
|
F:ASP187
|
2.9
|
44.1
|
1.0
|
H
|
F:GLY188
|
3.2
|
30.8
|
1.0
|
OD1
|
F:ASP187
|
3.3
|
45.0
|
1.0
|
CG
|
F:ASP187
|
3.3
|
39.1
|
1.0
|
O
|
F:HOH1096
|
3.3
|
31.7
|
1.0
|
H
|
F:ASP187
|
3.3
|
43.1
|
1.0
|
HD22
|
F:ASN216
|
3.5
|
48.3
|
1.0
|
CG
|
F:ASN216
|
3.7
|
47.9
|
1.0
|
CG
|
F:ASP217
|
3.8
|
84.0
|
1.0
|
H
|
F:ASN216
|
3.9
|
53.1
|
1.0
|
N
|
F:ASP187
|
3.9
|
36.0
|
1.0
|
ND2
|
F:ASN216
|
3.9
|
40.3
|
1.0
|
HA3
|
F:GLY186
|
4.0
|
34.4
|
1.0
|
N
|
F:GLY188
|
4.0
|
25.7
|
1.0
|
O
|
F:HOH1078
|
4.1
|
36.8
|
1.0
|
OD1
|
F:ASP217
|
4.4
|
90.1
|
1.0
|
O
|
F:HOH1089
|
4.4
|
47.8
|
1.0
|
HA3
|
F:GLY188
|
4.5
|
36.5
|
1.0
|
CB
|
F:ASP187
|
4.5
|
34.1
|
1.0
|
H
|
F:ASP217
|
4.6
|
92.1
|
1.0
|
O
|
F:ASN214
|
4.6
|
34.3
|
1.0
|
CA
|
F:ASP187
|
4.6
|
33.5
|
1.0
|
CA
|
F:GLY186
|
4.7
|
28.7
|
1.0
|
N
|
F:ASN216
|
4.7
|
44.3
|
1.0
|
C
|
F:GLY186
|
4.7
|
30.7
|
1.0
|
HA2
|
F:GLY186
|
4.7
|
34.4
|
1.0
|
HB2
|
F:ASP217
|
4.7
|
84.6
|
1.0
|
HD21
|
F:ASN216
|
4.8
|
48.3
|
1.0
|
C
|
F:ASP187
|
4.8
|
29.5
|
1.0
|
N
|
F:ASP217
|
4.8
|
76.8
|
1.0
|
CA
|
F:GLY188
|
4.9
|
30.5
|
1.0
|
CB
|
F:ASP217
|
4.9
|
70.5
|
1.0
|
HA
|
F:ASP215
|
5.0
|
38.2
|
1.0
|
CB
|
F:ASN216
|
5.0
|
46.6
|
1.0
|
|
Reference:
R.Hamid,
R.Hamid,
A.Hirsch.
N/A N/A.
Page generated: Thu Oct 3 17:14:04 2024
|