Magnesium in PDB 5x9g: Crystal Structure of the Cytosolic Domain of the MG2+ Channel Mgte in Complex with Atp
Protein crystallography data
The structure of Crystal Structure of the Cytosolic Domain of the MG2+ Channel Mgte in Complex with Atp, PDB code: 5x9g
was solved by
A.Tomita,
M.Hattori,
O.Nureki,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
48.80 /
3.00
|
Space group
|
P 21 21 21
|
Cell size a, b, c (Å), α, β, γ (°)
|
138.317,
106.672,
90.170,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
24 /
29.8
|
Magnesium Binding Sites:
The binding sites of Magnesium atom in the Crystal Structure of the Cytosolic Domain of the MG2+ Channel Mgte in Complex with Atp
(pdb code 5x9g). 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 the Cytosolic Domain of the MG2+ Channel Mgte in Complex with Atp, PDB code: 5x9g:
Jump to Magnesium binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
Magnesium binding site 1 out
of 8 in 5x9g
Go back to
Magnesium Binding Sites List in 5x9g
Magnesium binding site 1 out
of 8 in the Crystal Structure of the Cytosolic Domain of the MG2+ Channel Mgte in Complex with Atp
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 the Cytosolic Domain of the MG2+ Channel Mgte in Complex with Atp within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg302
b:59.9
occ:1.00
|
OD2
|
A:ASP247
|
2.0
|
68.2
|
1.0
|
OD2
|
A:ASP91
|
2.2
|
53.1
|
1.0
|
CG
|
A:ASP91
|
3.1
|
53.0
|
1.0
|
CG
|
A:ASP247
|
3.1
|
66.2
|
1.0
|
OG1
|
A:THR244
|
3.3
|
70.7
|
1.0
|
OE2
|
A:GLU166
|
3.5
|
71.0
|
1.0
|
OD1
|
A:ASP91
|
3.5
|
52.8
|
1.0
|
OD1
|
A:ASP247
|
3.6
|
72.1
|
1.0
|
CD
|
A:GLU166
|
3.8
|
72.5
|
1.0
|
OE1
|
A:GLU166
|
4.0
|
67.7
|
1.0
|
OD1
|
A:ASP246
|
4.3
|
77.2
|
1.0
|
CB
|
A:ASP247
|
4.3
|
69.1
|
1.0
|
CB
|
A:ASP91
|
4.3
|
50.8
|
1.0
|
CG
|
A:GLU166
|
4.5
|
65.6
|
1.0
|
OD1
|
A:ASP92
|
4.6
|
61.6
|
1.0
|
CB
|
A:THR244
|
4.6
|
59.4
|
1.0
|
OD2
|
A:ASP246
|
4.6
|
77.1
|
1.0
|
CG2
|
A:THR139
|
4.7
|
53.0
|
1.0
|
CG2
|
A:THR244
|
4.8
|
62.5
|
1.0
|
CG
|
A:ASP246
|
4.9
|
80.1
|
1.0
|
O
|
A:LEU137
|
4.9
|
52.1
|
1.0
|
|
Magnesium binding site 2 out
of 8 in 5x9g
Go back to
Magnesium Binding Sites List in 5x9g
Magnesium binding site 2 out
of 8 in the Crystal Structure of the Cytosolic Domain of the MG2+ Channel Mgte in Complex with Atp
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 the Cytosolic Domain of the MG2+ Channel Mgte in Complex with Atp within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg303
b:46.0
occ:1.00
|
OD1
|
A:ASP95
|
1.8
|
55.1
|
1.0
|
O
|
A:GLY136
|
2.0
|
60.9
|
1.0
|
CG
|
A:ASP95
|
2.7
|
54.1
|
1.0
|
OD2
|
A:ASP95
|
3.0
|
59.1
|
1.0
|
C
|
A:GLY136
|
3.2
|
58.2
|
1.0
|
O
|
A:ASP91
|
3.9
|
48.1
|
1.0
|
CA
|
A:GLY136
|
4.0
|
56.5
|
1.0
|
CB
|
A:ASP95
|
4.1
|
42.4
|
1.0
|
N
|
A:LEU137
|
4.2
|
53.1
|
1.0
|
CA
|
A:LEU137
|
4.4
|
54.7
|
1.0
|
N
|
A:ASP95
|
4.4
|
50.9
|
1.0
|
CA
|
A:ASP95
|
4.5
|
48.8
|
1.0
|
CD2
|
A:LEU137
|
4.7
|
67.0
|
1.0
|
C
|
A:ASP91
|
4.8
|
50.9
|
1.0
|
OE1
|
A:GLN98
|
4.8
|
52.8
|
1.0
|
O
|
A:GLU131
|
4.9
|
68.5
|
1.0
|
|
Magnesium binding site 3 out
of 8 in 5x9g
Go back to
Magnesium Binding Sites List in 5x9g
Magnesium binding site 3 out
of 8 in the Crystal Structure of the Cytosolic Domain of the MG2+ Channel Mgte in Complex with Atp
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 the Cytosolic Domain of the MG2+ Channel Mgte in Complex with Atp within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mg302
b:36.1
occ:1.00
|
OD1
|
B:ASP95
|
1.8
|
53.0
|
1.0
|
O
|
B:GLY136
|
2.1
|
60.2
|
1.0
|
CG
|
B:ASP95
|
2.9
|
43.9
|
1.0
|
C
|
B:GLY136
|
3.3
|
48.5
|
1.0
|
OD2
|
B:ASP95
|
3.3
|
49.0
|
1.0
|
CA
|
B:GLY136
|
4.0
|
43.9
|
1.0
|
O
|
B:ASP91
|
4.1
|
31.3
|
1.0
|
CB
|
B:ASP95
|
4.2
|
30.2
|
1.0
|
OE1
|
B:GLN98
|
4.3
|
46.3
|
1.0
|
N
|
B:LEU137
|
4.4
|
45.3
|
1.0
|
CA
|
B:ASP95
|
4.5
|
30.6
|
1.0
|
N
|
B:ASP95
|
4.5
|
32.6
|
1.0
|
CA
|
B:LEU137
|
4.6
|
46.3
|
1.0
|
O
|
B:GLU131
|
4.6
|
55.6
|
1.0
|
CB
|
B:GLU131
|
4.8
|
59.0
|
1.0
|
CD2
|
B:LEU137
|
5.0
|
47.1
|
1.0
|
C
|
B:ASP91
|
5.0
|
34.5
|
1.0
|
|
Magnesium binding site 4 out
of 8 in 5x9g
Go back to
Magnesium Binding Sites List in 5x9g
Magnesium binding site 4 out
of 8 in the Crystal Structure of the Cytosolic Domain of the MG2+ Channel Mgte in Complex with Atp
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 the Cytosolic Domain of the MG2+ Channel Mgte in Complex with Atp within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mg303
b:49.9
occ:1.00
|
OD2
|
B:ASP91
|
2.3
|
48.9
|
1.0
|
OD2
|
B:ASP247
|
2.4
|
56.2
|
1.0
|
CG
|
B:ASP91
|
3.1
|
44.9
|
1.0
|
CG
|
B:ASP247
|
3.2
|
57.6
|
1.0
|
OE2
|
B:GLU166
|
3.2
|
51.1
|
1.0
|
OD1
|
B:ASP247
|
3.3
|
59.6
|
1.0
|
OD1
|
B:ASP91
|
3.3
|
49.8
|
1.0
|
CD
|
B:GLU166
|
3.8
|
53.1
|
1.0
|
OE1
|
B:GLU166
|
3.9
|
53.2
|
1.0
|
OD2
|
B:ASP92
|
4.2
|
49.9
|
1.0
|
OD1
|
B:ASP92
|
4.2
|
51.5
|
1.0
|
OD2
|
B:ASP246
|
4.2
|
55.9
|
1.0
|
OG1
|
B:THR244
|
4.3
|
54.2
|
1.0
|
CG
|
B:ASP92
|
4.5
|
49.1
|
1.0
|
CB
|
B:ASP91
|
4.5
|
34.5
|
1.0
|
CB
|
B:ASP247
|
4.6
|
55.1
|
1.0
|
OD1
|
B:ASP246
|
4.7
|
63.8
|
1.0
|
CB
|
B:SER89
|
4.9
|
47.0
|
1.0
|
CG
|
B:ASP246
|
4.9
|
61.2
|
1.0
|
CG
|
B:GLU166
|
5.0
|
48.7
|
1.0
|
|
Magnesium binding site 5 out
of 8 in 5x9g
Go back to
Magnesium Binding Sites List in 5x9g
Magnesium binding site 5 out
of 8 in the Crystal Structure of the Cytosolic Domain of the MG2+ Channel Mgte in Complex with Atp
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 the Cytosolic Domain of the MG2+ Channel Mgte in Complex with Atp within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Mg302
b:44.6
occ:1.00
|
OD2
|
C:ASP247
|
2.2
|
50.0
|
1.0
|
OD2
|
C:ASP91
|
2.3
|
48.6
|
1.0
|
CG
|
C:ASP91
|
3.2
|
45.8
|
1.0
|
OG1
|
C:THR244
|
3.2
|
46.8
|
1.0
|
OE2
|
C:GLU166
|
3.2
|
46.7
|
1.0
|
CG
|
C:ASP247
|
3.4
|
51.7
|
1.0
|
CD
|
C:GLU166
|
3.6
|
47.4
|
1.0
|
OD1
|
C:ASP91
|
3.6
|
47.2
|
1.0
|
OE1
|
C:GLU166
|
3.7
|
45.5
|
1.0
|
OD1
|
C:ASP247
|
4.0
|
56.7
|
1.0
|
OD2
|
C:ASP246
|
4.3
|
48.7
|
1.0
|
OD1
|
C:ASP246
|
4.4
|
54.7
|
1.0
|
CB
|
C:ASP91
|
4.4
|
38.4
|
1.0
|
CG2
|
C:THR139
|
4.5
|
45.4
|
1.0
|
CB
|
C:ASP247
|
4.5
|
48.4
|
1.0
|
CB
|
C:THR244
|
4.5
|
49.8
|
1.0
|
CG
|
C:GLU166
|
4.5
|
49.1
|
1.0
|
OD1
|
C:ASP92
|
4.7
|
47.1
|
1.0
|
CG2
|
C:THR244
|
4.7
|
47.1
|
1.0
|
CG
|
C:ASP246
|
4.8
|
53.9
|
1.0
|
CB
|
C:THR139
|
4.9
|
44.5
|
1.0
|
|
Magnesium binding site 6 out
of 8 in 5x9g
Go back to
Magnesium Binding Sites List in 5x9g
Magnesium binding site 6 out
of 8 in the Crystal Structure of the Cytosolic Domain of the MG2+ Channel Mgte in Complex with Atp
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 the Cytosolic Domain of the MG2+ Channel Mgte in Complex with Atp within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Mg303
b:47.0
occ:1.00
|
O
|
C:GLY136
|
2.1
|
54.0
|
1.0
|
OD1
|
C:ASP95
|
2.4
|
50.6
|
1.0
|
OD2
|
C:ASP95
|
3.1
|
45.7
|
1.0
|
CG
|
C:ASP95
|
3.1
|
45.3
|
1.0
|
C
|
C:GLY136
|
3.2
|
46.7
|
1.0
|
CD2
|
C:LEU137
|
3.7
|
45.6
|
1.0
|
O
|
C:GLU131
|
3.9
|
60.2
|
1.0
|
N
|
C:LEU137
|
4.0
|
41.6
|
1.0
|
CA
|
C:LEU137
|
4.0
|
41.9
|
1.0
|
CA
|
C:GLY136
|
4.1
|
44.8
|
1.0
|
CB
|
C:ASP95
|
4.6
|
37.9
|
1.0
|
CA
|
C:GLU131
|
4.6
|
58.0
|
1.0
|
CG
|
C:LEU137
|
4.7
|
49.9
|
1.0
|
C
|
C:GLU131
|
4.7
|
58.3
|
1.0
|
O
|
C:ASP91
|
4.8
|
37.1
|
1.0
|
OE1
|
C:GLN98
|
4.9
|
47.7
|
1.0
|
CB
|
C:LEU137
|
4.9
|
47.8
|
1.0
|
CB
|
C:GLU131
|
5.0
|
55.7
|
1.0
|
C
|
C:LEU137
|
5.0
|
38.9
|
1.0
|
|
Magnesium binding site 7 out
of 8 in 5x9g
Go back to
Magnesium Binding Sites List in 5x9g
Magnesium binding site 7 out
of 8 in the Crystal Structure of the Cytosolic Domain of the MG2+ Channel Mgte in Complex with Atp
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 the Cytosolic Domain of the MG2+ Channel Mgte in Complex with Atp within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Mg302
b:51.0
occ:1.00
|
OD2
|
D:ASP247
|
2.1
|
48.2
|
1.0
|
OD2
|
D:ASP91
|
2.3
|
52.4
|
1.0
|
CG
|
D:ASP247
|
3.2
|
58.0
|
1.0
|
CG
|
D:ASP91
|
3.3
|
50.3
|
1.0
|
OD1
|
D:ASP91
|
3.5
|
52.8
|
1.0
|
OE2
|
D:GLU166
|
3.6
|
65.0
|
1.0
|
OG1
|
D:THR244
|
3.6
|
58.6
|
1.0
|
OD1
|
D:ASP247
|
3.7
|
60.5
|
1.0
|
CD
|
D:GLU166
|
3.8
|
60.4
|
1.0
|
OE1
|
D:GLU166
|
3.8
|
65.6
|
1.0
|
OD1
|
D:ASP92
|
4.1
|
49.0
|
1.0
|
OD2
|
D:ASP246
|
4.2
|
62.0
|
1.0
|
OD1
|
D:ASP246
|
4.3
|
58.1
|
1.0
|
CB
|
D:ASP247
|
4.4
|
53.2
|
1.0
|
OD2
|
D:ASP92
|
4.5
|
61.0
|
1.0
|
CB
|
D:ASP91
|
4.6
|
43.2
|
1.0
|
CG
|
D:ASP246
|
4.6
|
64.1
|
1.0
|
CG
|
D:ASP92
|
4.7
|
48.9
|
1.0
|
CG
|
D:GLU166
|
4.7
|
55.5
|
1.0
|
CB
|
D:THR244
|
4.9
|
48.7
|
1.0
|
|
Magnesium binding site 8 out
of 8 in 5x9g
Go back to
Magnesium Binding Sites List in 5x9g
Magnesium binding site 8 out
of 8 in the Crystal Structure of the Cytosolic Domain of the MG2+ Channel Mgte in Complex with Atp
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 the Cytosolic Domain of the MG2+ Channel Mgte in Complex with Atp within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Mg303
b:51.7
occ:1.00
|
OD1
|
D:ASP95
|
2.0
|
52.7
|
1.0
|
O
|
D:GLY136
|
2.1
|
52.0
|
1.0
|
CG
|
D:ASP95
|
2.9
|
43.0
|
1.0
|
OD2
|
D:ASP95
|
3.2
|
41.7
|
1.0
|
C
|
D:GLY136
|
3.3
|
48.5
|
1.0
|
CD2
|
D:LEU137
|
4.2
|
51.2
|
1.0
|
CA
|
D:GLY136
|
4.2
|
45.8
|
1.0
|
N
|
D:LEU137
|
4.2
|
45.6
|
1.0
|
O
|
D:GLU131
|
4.3
|
62.1
|
1.0
|
CB
|
D:ASP95
|
4.3
|
40.8
|
1.0
|
CA
|
D:LEU137
|
4.3
|
39.8
|
1.0
|
OE1
|
D:GLN98
|
4.4
|
60.2
|
1.0
|
O
|
D:ASP91
|
4.5
|
38.8
|
1.0
|
CA
|
D:GLU131
|
4.7
|
59.4
|
1.0
|
CA
|
D:ASP95
|
4.8
|
48.7
|
1.0
|
CB
|
D:GLU131
|
4.8
|
59.8
|
1.0
|
N
|
D:ASP95
|
4.9
|
49.1
|
1.0
|
C
|
D:GLU131
|
5.0
|
60.8
|
1.0
|
|
Reference:
A.Tomita,
M.Zhang,
F.Jin,
W.Zhuang,
H.Takeda,
T.Maruyama,
M.Osawa,
K.I.Hashimoto,
H.Kawasaki,
K.Ito,
N.Dohmae,
R.Ishitani,
I.Shimada,
Z.Yan,
M.Hattori,
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ISSN: ESSN 2041-1723
PubMed: 28747715
DOI: 10.1038/S41467-017-00082-W
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