Magnesium in PDB 8jzg: C. Glutamicum S-Adenosylmethionine Synthase Co-Crystallized with Adenosine, Triphosphate, and Sam
Enzymatic activity of C. Glutamicum S-Adenosylmethionine Synthase Co-Crystallized with Adenosine, Triphosphate, and Sam
All present enzymatic activity of C. Glutamicum S-Adenosylmethionine Synthase Co-Crystallized with Adenosine, Triphosphate, and Sam:
2.5.1.6;
Protein crystallography data
The structure of C. Glutamicum S-Adenosylmethionine Synthase Co-Crystallized with Adenosine, Triphosphate, and Sam, PDB code: 8jzg
was solved by
S.Lee,
K.J.Kim,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
32.63 /
2.39
|
Space group
|
P 1 21 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
61.311,
116.806,
116.314,
90,
103.31,
90
|
R / Rfree (%)
|
19.4 /
26
|
Other elements in 8jzg:
The structure of C. Glutamicum S-Adenosylmethionine Synthase Co-Crystallized with Adenosine, Triphosphate, and Sam also contains other interesting chemical elements:
Magnesium Binding Sites:
The binding sites of Magnesium atom in the C. Glutamicum S-Adenosylmethionine Synthase Co-Crystallized with Adenosine, Triphosphate, and Sam
(pdb code 8jzg). This binding sites where shown within
5.0 Angstroms radius around Magnesium atom.
In total 8 binding sites of Magnesium where determined in the
C. Glutamicum S-Adenosylmethionine Synthase Co-Crystallized with Adenosine, Triphosphate, and Sam, PDB code: 8jzg:
Jump to Magnesium binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
Magnesium binding site 1 out
of 8 in 8jzg
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Magnesium Binding Sites List in 8jzg
Magnesium binding site 1 out
of 8 in the C. Glutamicum S-Adenosylmethionine Synthase Co-Crystallized with Adenosine, Triphosphate, and Sam
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 1 of C. Glutamicum S-Adenosylmethionine Synthase Co-Crystallized with Adenosine, Triphosphate, and Sam within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg506
b:29.8
occ:1.00
|
O2A
|
A:3PO502
|
2.0
|
37.4
|
1.0
|
OD2
|
A:ASP21
|
2.3
|
21.1
|
1.0
|
O2B
|
A:3PO502
|
2.4
|
40.3
|
1.0
|
O3G
|
A:3PO502
|
2.6
|
32.5
|
1.0
|
CG
|
A:ASP21
|
3.0
|
21.4
|
1.0
|
OD1
|
A:ASP21
|
3.2
|
20.1
|
1.0
|
PA
|
A:3PO502
|
3.2
|
38.4
|
1.0
|
O3A
|
A:3PO502
|
3.4
|
51.7
|
1.0
|
PB
|
A:3PO502
|
3.4
|
40.8
|
1.0
|
O3B
|
A:3PO502
|
4.0
|
35.5
|
1.0
|
PG
|
A:3PO502
|
4.0
|
31.4
|
1.0
|
CB
|
A:ARG264
|
4.0
|
20.7
|
1.0
|
NH1
|
A:ARG264
|
4.0
|
24.2
|
1.0
|
O5'
|
A:3PO502
|
4.0
|
32.1
|
1.0
|
NZ
|
A:LYS265
|
4.0
|
27.0
|
1.0
|
NE
|
A:ARG264
|
4.2
|
21.4
|
1.0
|
O1A
|
A:3PO502
|
4.2
|
32.2
|
1.0
|
CZ
|
A:ARG264
|
4.4
|
22.3
|
1.0
|
CB
|
A:ASP21
|
4.5
|
21.8
|
1.0
|
O
|
A:ALA259
|
4.5
|
26.0
|
1.0
|
CG
|
A:ARG264
|
4.5
|
20.7
|
1.0
|
O
|
A:ARG264
|
4.6
|
21.7
|
1.0
|
CE1
|
A:HIS19
|
4.7
|
25.7
|
1.0
|
O1G
|
A:3PO502
|
4.7
|
28.2
|
1.0
|
O1B
|
A:3PO502
|
4.8
|
45.8
|
1.0
|
K
|
A:K508
|
4.9
|
60.6
|
1.0
|
|
Magnesium binding site 2 out
of 8 in 8jzg
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Magnesium Binding Sites List in 8jzg
Magnesium binding site 2 out
of 8 in the C. Glutamicum S-Adenosylmethionine Synthase Co-Crystallized with Adenosine, Triphosphate, and Sam
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 2 of C. Glutamicum S-Adenosylmethionine Synthase Co-Crystallized with Adenosine, Triphosphate, and Sam within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg507
b:33.1
occ:1.00
|
O1B
|
B:3PO502
|
1.9
|
39.1
|
1.0
|
OD2
|
A:ASP291
|
2.2
|
27.1
|
1.0
|
O1G
|
B:3PO502
|
2.4
|
43.2
|
1.0
|
O1A
|
B:3PO502
|
2.4
|
28.6
|
1.0
|
O
|
A:HOH603
|
2.5
|
27.6
|
1.0
|
PG
|
B:3PO502
|
2.9
|
40.8
|
1.0
|
O3B
|
B:3PO502
|
2.9
|
54.1
|
1.0
|
PB
|
B:3PO502
|
2.9
|
36.7
|
1.0
|
O3G
|
B:3PO502
|
3.0
|
47.6
|
1.0
|
CG
|
A:ASP291
|
3.1
|
29.0
|
1.0
|
OD1
|
A:ASP291
|
3.4
|
31.2
|
1.0
|
O3A
|
B:3PO502
|
3.6
|
30.5
|
1.0
|
PA
|
B:3PO502
|
3.6
|
32.5
|
1.0
|
O
|
B:HOH619
|
3.8
|
23.2
|
1.0
|
NZ
|
A:LYS285
|
4.1
|
26.2
|
1.0
|
O2B
|
B:3PO502
|
4.3
|
27.6
|
1.0
|
CA
|
A:GLY280
|
4.3
|
21.1
|
1.0
|
O2G
|
B:3PO502
|
4.3
|
31.4
|
1.0
|
O5'
|
B:3PO502
|
4.4
|
27.2
|
1.0
|
CB
|
A:ASP291
|
4.5
|
27.5
|
1.0
|
OD2
|
A:ASP133
|
4.5
|
34.8
|
1.0
|
NZ
|
B:LYS265
|
4.6
|
22.9
|
1.0
|
NZ
|
B:LYS180
|
4.8
|
30.0
|
1.0
|
O2A
|
B:3PO502
|
4.8
|
36.4
|
1.0
|
MG
|
B:MG506
|
4.9
|
31.9
|
1.0
|
|
Magnesium binding site 3 out
of 8 in 8jzg
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Magnesium Binding Sites List in 8jzg
Magnesium binding site 3 out
of 8 in the C. Glutamicum S-Adenosylmethionine Synthase Co-Crystallized with Adenosine, Triphosphate, and Sam
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 3 of C. Glutamicum S-Adenosylmethionine Synthase Co-Crystallized with Adenosine, Triphosphate, and Sam within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mg505
b:41.2
occ:1.00
|
O1G
|
A:3PO502
|
2.1
|
28.2
|
1.0
|
O3A
|
A:3PO502
|
2.4
|
51.7
|
1.0
|
OD2
|
B:ASP291
|
2.5
|
27.7
|
1.0
|
O3B
|
A:3PO502
|
2.7
|
35.5
|
1.0
|
PB
|
A:3PO502
|
2.9
|
40.8
|
1.0
|
PG
|
A:3PO502
|
3.0
|
31.4
|
1.0
|
O1A
|
A:3PO502
|
3.0
|
32.2
|
1.0
|
O1B
|
A:3PO502
|
3.3
|
45.8
|
1.0
|
PA
|
A:3PO502
|
3.4
|
38.4
|
1.0
|
CG
|
B:ASP291
|
3.6
|
27.2
|
1.0
|
OD2
|
B:ASP133
|
3.8
|
34.8
|
1.0
|
O3G
|
A:3PO502
|
3.8
|
32.5
|
1.0
|
O
|
A:HOH605
|
4.1
|
19.4
|
1.0
|
OD1
|
B:ASP291
|
4.1
|
26.3
|
1.0
|
O2G
|
A:3PO502
|
4.1
|
28.4
|
1.0
|
O2B
|
A:3PO502
|
4.3
|
40.3
|
1.0
|
O5'
|
A:3PO502
|
4.4
|
32.1
|
1.0
|
NZ
|
B:LYS285
|
4.4
|
25.2
|
1.0
|
O2A
|
A:3PO502
|
4.4
|
37.4
|
1.0
|
NZ
|
A:LYS180
|
4.5
|
29.0
|
1.0
|
CB
|
B:ASP291
|
4.7
|
29.6
|
1.0
|
NZ
|
A:LYS265
|
4.9
|
27.0
|
1.0
|
CG
|
B:ASP133
|
4.9
|
40.2
|
1.0
|
|
Magnesium binding site 4 out
of 8 in 8jzg
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Magnesium Binding Sites List in 8jzg
Magnesium binding site 4 out
of 8 in the C. Glutamicum S-Adenosylmethionine Synthase Co-Crystallized with Adenosine, Triphosphate, and Sam
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 4 of C. Glutamicum S-Adenosylmethionine Synthase Co-Crystallized with Adenosine, Triphosphate, and Sam within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mg506
b:31.9
occ:1.00
|
O3B
|
B:3PO502
|
2.1
|
54.1
|
1.0
|
O5'
|
B:3PO502
|
2.3
|
27.2
|
1.0
|
OD2
|
B:ASP21
|
2.7
|
22.6
|
1.0
|
PG
|
B:3PO502
|
3.1
|
40.8
|
1.0
|
PB
|
B:3PO502
|
3.2
|
36.7
|
1.0
|
CG
|
B:ASP21
|
3.2
|
20.4
|
1.0
|
O2G
|
B:3PO502
|
3.3
|
31.4
|
1.0
|
PA
|
B:3PO502
|
3.3
|
32.5
|
1.0
|
O3A
|
B:3PO502
|
3.3
|
30.5
|
1.0
|
OD1
|
B:ASP21
|
3.4
|
18.6
|
1.0
|
NZ
|
B:LYS265
|
3.6
|
22.9
|
1.0
|
O3G
|
B:3PO502
|
3.7
|
47.6
|
1.0
|
O2B
|
B:3PO502
|
3.7
|
27.6
|
1.0
|
O1A
|
B:3PO502
|
4.1
|
28.6
|
1.0
|
CE1
|
B:HIS19
|
4.3
|
20.9
|
1.0
|
O1G
|
B:3PO502
|
4.4
|
43.2
|
1.0
|
O1B
|
B:3PO502
|
4.4
|
39.1
|
1.0
|
NH2
|
B:ARG264
|
4.5
|
20.1
|
1.0
|
CB
|
B:ASP21
|
4.5
|
21.9
|
1.0
|
CB
|
B:ARG264
|
4.5
|
19.6
|
1.0
|
O2A
|
B:3PO502
|
4.5
|
36.4
|
1.0
|
NE
|
B:ARG264
|
4.6
|
20.0
|
1.0
|
O
|
B:ALA259
|
4.7
|
27.6
|
1.0
|
O
|
B:ARG264
|
4.7
|
28.1
|
1.0
|
CE
|
B:LYS265
|
4.7
|
23.1
|
1.0
|
CZ
|
B:ARG264
|
4.8
|
21.6
|
1.0
|
NE2
|
B:HIS19
|
4.9
|
20.0
|
1.0
|
MG
|
A:MG507
|
4.9
|
33.1
|
1.0
|
|
Magnesium binding site 5 out
of 8 in 8jzg
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Magnesium Binding Sites List in 8jzg
Magnesium binding site 5 out
of 8 in the C. Glutamicum S-Adenosylmethionine Synthase Co-Crystallized with Adenosine, Triphosphate, and Sam
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 5 of C. Glutamicum S-Adenosylmethionine Synthase Co-Crystallized with Adenosine, Triphosphate, and Sam within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Mg504
b:33.7
occ:1.00
|
O1B
|
C:3PO502
|
2.0
|
50.8
|
1.0
|
O1G
|
C:3PO502
|
2.0
|
36.5
|
1.0
|
O2A
|
C:3PO502
|
2.1
|
40.1
|
1.0
|
OD2
|
C:ASP21
|
2.3
|
34.9
|
1.0
|
PB
|
C:3PO502
|
3.1
|
45.3
|
1.0
|
CG
|
C:ASP21
|
3.2
|
34.5
|
1.0
|
PG
|
C:3PO502
|
3.2
|
40.0
|
1.0
|
O3B
|
C:3PO502
|
3.2
|
49.6
|
1.0
|
OD1
|
C:ASP21
|
3.4
|
30.6
|
1.0
|
PA
|
C:3PO502
|
3.4
|
42.7
|
1.0
|
NH1
|
C:ARG264
|
3.6
|
38.2
|
1.0
|
O3A
|
C:3PO502
|
3.6
|
38.5
|
1.0
|
NZ
|
C:LYS265
|
4.0
|
25.6
|
1.0
|
O3G
|
C:3PO502
|
4.0
|
29.9
|
1.0
|
O5'
|
C:3PO502
|
4.1
|
42.7
|
1.0
|
O2G
|
C:3PO502
|
4.3
|
43.5
|
1.0
|
O2B
|
C:3PO502
|
4.4
|
34.6
|
1.0
|
CB
|
C:ARG264
|
4.4
|
31.1
|
1.0
|
CE1
|
C:HIS19
|
4.4
|
29.6
|
1.0
|
O
|
C:ALA259
|
4.4
|
31.2
|
1.0
|
CB
|
C:ASP21
|
4.6
|
31.9
|
1.0
|
O1A
|
C:3PO502
|
4.6
|
44.0
|
1.0
|
CZ
|
C:ARG264
|
4.7
|
38.6
|
1.0
|
CG
|
C:ARG264
|
4.8
|
31.5
|
1.0
|
O
|
C:ARG264
|
4.9
|
30.1
|
1.0
|
CE
|
C:LYS265
|
5.0
|
25.4
|
1.0
|
K
|
D:K506
|
5.0
|
69.5
|
1.0
|
|
Magnesium binding site 6 out
of 8 in 8jzg
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Magnesium Binding Sites List in 8jzg
Magnesium binding site 6 out
of 8 in the C. Glutamicum S-Adenosylmethionine Synthase Co-Crystallized with Adenosine, Triphosphate, and Sam
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 6 of C. Glutamicum S-Adenosylmethionine Synthase Co-Crystallized with Adenosine, Triphosphate, and Sam within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Mg505
b:43.4
occ:1.00
|
O5'
|
D:3PO502
|
1.9
|
37.4
|
1.0
|
O3B
|
D:3PO502
|
2.2
|
52.8
|
1.0
|
OD2
|
C:ASP291
|
2.3
|
34.5
|
1.0
|
O2G
|
D:3PO502
|
2.9
|
53.1
|
1.0
|
O3A
|
D:3PO502
|
3.0
|
34.5
|
1.0
|
PA
|
D:3PO502
|
3.0
|
37.1
|
1.0
|
PB
|
D:3PO502
|
3.1
|
44.5
|
1.0
|
PG
|
D:3PO502
|
3.2
|
43.8
|
1.0
|
CG
|
C:ASP291
|
3.3
|
32.8
|
1.0
|
O2B
|
D:3PO502
|
3.7
|
37.0
|
1.0
|
OD1
|
C:ASP291
|
3.7
|
34.4
|
1.0
|
O1A
|
D:3PO502
|
3.8
|
34.5
|
1.0
|
OD2
|
C:ASP133
|
3.9
|
41.1
|
1.0
|
O
|
D:HOH603
|
3.9
|
23.3
|
1.0
|
O3G
|
D:3PO502
|
4.1
|
31.0
|
1.0
|
O2A
|
D:3PO502
|
4.2
|
36.2
|
1.0
|
O1G
|
D:3PO502
|
4.2
|
39.0
|
1.0
|
NZ
|
C:LYS285
|
4.2
|
31.8
|
1.0
|
O1B
|
D:3PO502
|
4.4
|
40.7
|
1.0
|
NZ
|
D:LYS180
|
4.5
|
31.9
|
1.0
|
O
|
C:HOH614
|
4.6
|
35.7
|
1.0
|
NZ
|
D:LYS265
|
4.6
|
37.8
|
1.0
|
CB
|
C:ASP291
|
4.6
|
33.8
|
1.0
|
MG
|
D:MG505
|
4.7
|
26.4
|
1.0
|
CA
|
C:GLY280
|
4.9
|
30.3
|
1.0
|
CG
|
C:ASP133
|
4.9
|
39.9
|
1.0
|
|
Magnesium binding site 7 out
of 8 in 8jzg
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Magnesium Binding Sites List in 8jzg
Magnesium binding site 7 out
of 8 in the C. Glutamicum S-Adenosylmethionine Synthase Co-Crystallized with Adenosine, Triphosphate, and Sam
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 7 of C. Glutamicum S-Adenosylmethionine Synthase Co-Crystallized with Adenosine, Triphosphate, and Sam within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Mg504
b:43.8
occ:1.00
|
O3B
|
C:3PO502
|
2.1
|
49.6
|
1.0
|
OD2
|
D:ASP291
|
2.6
|
32.0
|
1.0
|
O5'
|
C:3PO502
|
2.7
|
42.7
|
1.0
|
PB
|
C:3PO502
|
2.8
|
45.3
|
1.0
|
O3A
|
C:3PO502
|
3.0
|
38.5
|
1.0
|
O2B
|
C:3PO502
|
3.2
|
34.6
|
1.0
|
PG
|
C:3PO502
|
3.4
|
40.0
|
1.0
|
PA
|
C:3PO502
|
3.5
|
42.7
|
1.0
|
CG
|
D:ASP291
|
3.5
|
32.5
|
1.0
|
O3G
|
C:3PO502
|
3.7
|
29.9
|
1.0
|
OD1
|
D:ASP291
|
3.7
|
33.1
|
1.0
|
OD2
|
D:ASP133
|
3.9
|
35.9
|
1.0
|
O1B
|
C:3PO502
|
4.2
|
50.8
|
1.0
|
O2G
|
C:3PO502
|
4.2
|
43.5
|
1.0
|
O2A
|
C:3PO502
|
4.4
|
40.1
|
1.0
|
O1G
|
C:3PO502
|
4.5
|
36.5
|
1.0
|
NZ
|
C:LYS180
|
4.5
|
40.7
|
1.0
|
NZ
|
C:LYS265
|
4.5
|
25.6
|
1.0
|
NZ
|
D:LYS285
|
4.6
|
26.5
|
1.0
|
O1A
|
C:3PO502
|
4.7
|
44.0
|
1.0
|
CA
|
D:GLY280
|
4.8
|
29.9
|
1.0
|
CG
|
D:ASP133
|
4.9
|
36.9
|
1.0
|
CB
|
D:ASP291
|
4.9
|
33.4
|
1.0
|
|
Magnesium binding site 8 out
of 8 in 8jzg
Go back to
Magnesium Binding Sites List in 8jzg
Magnesium binding site 8 out
of 8 in the C. Glutamicum S-Adenosylmethionine Synthase Co-Crystallized with Adenosine, Triphosphate, and Sam
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 8 of C. Glutamicum S-Adenosylmethionine Synthase Co-Crystallized with Adenosine, Triphosphate, and Sam within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Mg505
b:26.4
occ:1.00
|
O1B
|
D:3PO502
|
1.9
|
40.7
|
1.0
|
O1A
|
D:3PO502
|
2.0
|
34.5
|
1.0
|
O1G
|
D:3PO502
|
2.1
|
39.0
|
1.0
|
OD2
|
D:ASP21
|
2.2
|
35.2
|
1.0
|
PB
|
D:3PO502
|
2.9
|
44.5
|
1.0
|
O3B
|
D:3PO502
|
3.1
|
52.8
|
1.0
|
CG
|
D:ASP21
|
3.2
|
30.4
|
1.0
|
PG
|
D:3PO502
|
3.2
|
43.8
|
1.0
|
PA
|
D:3PO502
|
3.2
|
37.1
|
1.0
|
O3A
|
D:3PO502
|
3.3
|
34.5
|
1.0
|
OD1
|
D:ASP21
|
3.5
|
26.0
|
1.0
|
NZ
|
D:LYS265
|
3.8
|
37.8
|
1.0
|
O5'
|
D:3PO502
|
4.1
|
37.4
|
1.0
|
O2G
|
D:3PO502
|
4.2
|
53.1
|
1.0
|
O3G
|
D:3PO502
|
4.2
|
31.0
|
1.0
|
CE1
|
D:HIS19
|
4.2
|
27.2
|
1.0
|
NH2
|
D:ARG264
|
4.2
|
25.6
|
1.0
|
O2B
|
D:3PO502
|
4.3
|
37.0
|
1.0
|
O2A
|
D:3PO502
|
4.3
|
36.2
|
1.0
|
CB
|
D:ASP21
|
4.5
|
29.2
|
1.0
|
O
|
D:ALA259
|
4.6
|
29.0
|
1.0
|
NE2
|
D:HIS19
|
4.6
|
27.5
|
1.0
|
CB
|
D:ARG264
|
4.7
|
24.2
|
1.0
|
CE
|
D:LYS265
|
4.7
|
34.7
|
1.0
|
MG
|
C:MG505
|
4.7
|
43.4
|
1.0
|
CZ
|
D:ARG264
|
4.8
|
24.7
|
1.0
|
NE
|
D:ARG264
|
4.8
|
26.2
|
1.0
|
O
|
D:ARG264
|
4.9
|
32.9
|
1.0
|
|
Reference:
S.Lee,
S.Kim,
I.K.Kim,
K.J.Kim.
Structural and Biochemical Studies on Product Inhibition of S-Adenosylmethionine Synthetase From Corynebacterium Glutamicum. J.Agric.Food Chem. 2023.
ISSN: ESSN 1520-5118
PubMed: 37846083
DOI: 10.1021/ACS.JAFC.3C05180
Page generated: Fri Oct 4 13:41:53 2024
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