Magnesium in PDB 8tpl: Atp-2 State of BCS1 (Unsymmetrized)
Magnesium Binding Sites:
The binding sites of Magnesium atom in the Atp-2 State of BCS1 (Unsymmetrized)
(pdb code 8tpl). This binding sites where shown within
5.0 Angstroms radius around Magnesium atom.
In total 7 binding sites of Magnesium where determined in the
Atp-2 State of BCS1 (Unsymmetrized), PDB code: 8tpl:
Jump to Magnesium binding site number:
1;
2;
3;
4;
5;
6;
7;
Magnesium binding site 1 out
of 7 in 8tpl
Go back to
Magnesium Binding Sites List in 8tpl
Magnesium binding site 1 out
of 7 in the Atp-2 State of BCS1 (Unsymmetrized)
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 1 of Atp-2 State of BCS1 (Unsymmetrized) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg701
b:68.5
occ:1.00
|
O2A
|
A:ATP700
|
2.1
|
89.7
|
1.0
|
O3B
|
A:ATP700
|
2.2
|
98.7
|
1.0
|
O1A
|
A:ATP700
|
2.2
|
89.4
|
1.0
|
PA
|
A:ATP700
|
2.3
|
84.7
|
1.0
|
CB
|
A:SER237
|
2.4
|
73.5
|
1.0
|
OG
|
A:SER237
|
2.5
|
78.6
|
1.0
|
N
|
A:SER237
|
2.6
|
73.9
|
1.0
|
O3A
|
A:ATP700
|
2.7
|
88.5
|
1.0
|
PB
|
A:ATP700
|
2.9
|
94.7
|
1.0
|
CA
|
A:SER237
|
3.0
|
69.3
|
1.0
|
O2B
|
A:ATP700
|
3.1
|
91.7
|
1.0
|
O2G
|
A:ATP700
|
3.1
|
96.1
|
1.0
|
PG
|
A:ATP700
|
3.3
|
118.4
|
1.0
|
N
|
A:SER238
|
3.4
|
66.6
|
1.0
|
C
|
A:SER237
|
3.7
|
67.1
|
1.0
|
C
|
A:LYS236
|
3.8
|
70.9
|
1.0
|
O5'
|
A:ATP700
|
3.9
|
83.7
|
1.0
|
O3G
|
A:ATP700
|
3.9
|
97.9
|
1.0
|
N
|
A:LYS236
|
4.0
|
65.1
|
1.0
|
O1B
|
A:ATP700
|
4.3
|
93.6
|
1.0
|
CA
|
A:LYS236
|
4.3
|
64.0
|
1.0
|
O1G
|
A:ATP700
|
4.5
|
96.4
|
1.0
|
CB
|
A:LYS236
|
4.6
|
60.6
|
1.0
|
C
|
A:GLY235
|
4.6
|
68.7
|
1.0
|
CA
|
A:SER238
|
4.7
|
74.4
|
1.0
|
OE2
|
A:GLU282
|
4.7
|
101.8
|
1.0
|
O
|
A:LYS236
|
4.8
|
84.7
|
1.0
|
O
|
A:SER237
|
4.8
|
82.1
|
1.0
|
C5'
|
A:ATP700
|
4.8
|
85.9
|
1.0
|
CA
|
A:GLY235
|
4.9
|
68.4
|
1.0
|
CB
|
A:SER238
|
4.9
|
78.2
|
1.0
|
OG
|
A:SER238
|
5.0
|
92.9
|
1.0
|
|
Magnesium binding site 2 out
of 7 in 8tpl
Go back to
Magnesium Binding Sites List in 8tpl
Magnesium binding site 2 out
of 7 in the Atp-2 State of BCS1 (Unsymmetrized)
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 2 of Atp-2 State of BCS1 (Unsymmetrized) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mg701
b:68.5
occ:1.00
|
O3B
|
B:ATP700
|
1.9
|
98.7
|
1.0
|
PA
|
B:ATP700
|
2.3
|
84.7
|
1.0
|
O2A
|
B:ATP700
|
2.3
|
89.7
|
1.0
|
O1A
|
B:ATP700
|
2.3
|
89.4
|
1.0
|
PB
|
B:ATP700
|
2.4
|
94.7
|
1.0
|
O3A
|
B:ATP700
|
2.4
|
88.5
|
1.0
|
O2B
|
B:ATP700
|
2.5
|
91.7
|
1.0
|
N
|
B:SER237
|
2.6
|
73.9
|
1.0
|
CB
|
B:SER237
|
2.7
|
73.5
|
1.0
|
OG
|
B:SER237
|
2.7
|
78.6
|
1.0
|
PG
|
B:ATP700
|
3.1
|
118.4
|
1.0
|
CA
|
B:SER237
|
3.1
|
69.3
|
1.0
|
O2G
|
B:ATP700
|
3.2
|
96.1
|
1.0
|
O3G
|
B:ATP700
|
3.6
|
97.9
|
1.0
|
N
|
B:LYS236
|
3.6
|
65.1
|
1.0
|
C
|
B:LYS236
|
3.7
|
70.9
|
1.0
|
N
|
B:SER238
|
3.7
|
66.6
|
1.0
|
O1B
|
B:ATP700
|
3.9
|
93.6
|
1.0
|
O5'
|
B:ATP700
|
3.9
|
83.7
|
1.0
|
C
|
B:SER237
|
3.9
|
67.1
|
1.0
|
CA
|
B:LYS236
|
4.0
|
64.0
|
1.0
|
CB
|
B:LYS236
|
4.2
|
60.6
|
1.0
|
O1G
|
B:ATP700
|
4.3
|
96.4
|
1.0
|
C
|
B:GLY235
|
4.3
|
68.7
|
1.0
|
CA
|
B:GLY235
|
4.7
|
68.4
|
1.0
|
O
|
B:LYS236
|
4.7
|
84.7
|
1.0
|
NH2
|
C:ARG343
|
4.8
|
85.0
|
1.0
|
C5'
|
B:ATP700
|
4.8
|
85.9
|
1.0
|
N
|
B:GLY235
|
4.9
|
70.4
|
1.0
|
OE2
|
B:GLU282
|
4.9
|
101.8
|
1.0
|
|
Magnesium binding site 3 out
of 7 in 8tpl
Go back to
Magnesium Binding Sites List in 8tpl
Magnesium binding site 3 out
of 7 in the Atp-2 State of BCS1 (Unsymmetrized)
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 3 of Atp-2 State of BCS1 (Unsymmetrized) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Mg701
b:68.5
occ:1.00
|
O3B
|
C:ATP700
|
1.9
|
98.7
|
1.0
|
O1A
|
C:ATP700
|
2.1
|
89.4
|
1.0
|
PA
|
C:ATP700
|
2.3
|
84.7
|
1.0
|
PB
|
C:ATP700
|
2.3
|
94.7
|
1.0
|
O3A
|
C:ATP700
|
2.3
|
88.5
|
1.0
|
O2B
|
C:ATP700
|
2.4
|
91.7
|
1.0
|
O2A
|
C:ATP700
|
2.5
|
89.7
|
1.0
|
OG
|
C:SER237
|
2.8
|
78.6
|
1.0
|
CB
|
C:SER237
|
2.8
|
73.5
|
1.0
|
O2G
|
C:ATP700
|
2.9
|
96.1
|
1.0
|
PG
|
C:ATP700
|
3.0
|
118.4
|
1.0
|
N
|
C:SER237
|
3.0
|
73.9
|
1.0
|
CA
|
C:SER237
|
3.4
|
69.3
|
1.0
|
O3G
|
C:ATP700
|
3.6
|
97.9
|
1.0
|
O1B
|
C:ATP700
|
3.8
|
93.6
|
1.0
|
O5'
|
C:ATP700
|
3.9
|
83.7
|
1.0
|
N
|
C:SER238
|
4.0
|
66.6
|
1.0
|
N
|
C:LYS236
|
4.1
|
65.1
|
1.0
|
C
|
C:LYS236
|
4.2
|
70.9
|
1.0
|
O1G
|
C:ATP700
|
4.2
|
96.4
|
1.0
|
C
|
C:SER237
|
4.2
|
67.1
|
1.0
|
NH2
|
D:ARG343
|
4.5
|
85.0
|
1.0
|
CA
|
C:LYS236
|
4.5
|
64.0
|
1.0
|
CB
|
C:LYS236
|
4.6
|
60.6
|
1.0
|
C5'
|
C:ATP700
|
4.7
|
85.9
|
1.0
|
C
|
C:GLY235
|
4.8
|
68.7
|
1.0
|
OE2
|
C:GLU282
|
4.9
|
101.8
|
1.0
|
|
Magnesium binding site 4 out
of 7 in 8tpl
Go back to
Magnesium Binding Sites List in 8tpl
Magnesium binding site 4 out
of 7 in the Atp-2 State of BCS1 (Unsymmetrized)
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 4 of Atp-2 State of BCS1 (Unsymmetrized) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Mg701
b:68.5
occ:1.00
|
O3B
|
D:ATP700
|
1.9
|
98.7
|
1.0
|
O1A
|
D:ATP700
|
2.1
|
89.4
|
1.0
|
PA
|
D:ATP700
|
2.3
|
84.7
|
1.0
|
O3A
|
D:ATP700
|
2.4
|
88.5
|
1.0
|
O2A
|
D:ATP700
|
2.4
|
89.7
|
1.0
|
PB
|
D:ATP700
|
2.5
|
94.7
|
1.0
|
O2B
|
D:ATP700
|
2.7
|
91.7
|
1.0
|
OG
|
D:SER237
|
2.7
|
78.6
|
1.0
|
CB
|
D:SER237
|
2.7
|
73.5
|
1.0
|
N
|
D:SER237
|
2.8
|
73.9
|
1.0
|
O2G
|
D:ATP700
|
3.0
|
96.1
|
1.0
|
PG
|
D:ATP700
|
3.0
|
118.4
|
1.0
|
CA
|
D:SER237
|
3.3
|
69.3
|
1.0
|
O3G
|
D:ATP700
|
3.7
|
97.9
|
1.0
|
O5'
|
D:ATP700
|
3.8
|
83.7
|
1.0
|
O1B
|
D:ATP700
|
3.9
|
93.6
|
1.0
|
N
|
D:SER238
|
3.9
|
66.6
|
1.0
|
N
|
D:LYS236
|
3.9
|
65.1
|
1.0
|
C
|
D:LYS236
|
4.0
|
70.9
|
1.0
|
C
|
D:SER237
|
4.1
|
67.1
|
1.0
|
O1G
|
D:ATP700
|
4.2
|
96.4
|
1.0
|
CA
|
D:LYS236
|
4.3
|
64.0
|
1.0
|
CB
|
D:LYS236
|
4.5
|
60.6
|
1.0
|
C
|
D:GLY235
|
4.6
|
68.7
|
1.0
|
NH2
|
E:ARG343
|
4.7
|
85.0
|
1.0
|
C5'
|
D:ATP700
|
4.7
|
85.9
|
1.0
|
NZ
|
D:LYS236
|
4.8
|
70.7
|
1.0
|
CA
|
D:GLY235
|
4.8
|
68.4
|
1.0
|
OE2
|
D:GLU282
|
4.9
|
101.8
|
1.0
|
|
Magnesium binding site 5 out
of 7 in 8tpl
Go back to
Magnesium Binding Sites List in 8tpl
Magnesium binding site 5 out
of 7 in the Atp-2 State of BCS1 (Unsymmetrized)
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 5 of Atp-2 State of BCS1 (Unsymmetrized) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Mg701
b:68.5
occ:1.00
|
O3B
|
E:ATP700
|
1.9
|
98.7
|
1.0
|
O1A
|
E:ATP700
|
2.1
|
89.4
|
1.0
|
PA
|
E:ATP700
|
2.3
|
84.7
|
1.0
|
O2A
|
E:ATP700
|
2.4
|
89.7
|
1.0
|
O3A
|
E:ATP700
|
2.5
|
88.5
|
1.0
|
PB
|
E:ATP700
|
2.5
|
94.7
|
1.0
|
CB
|
E:SER237
|
2.6
|
73.5
|
1.0
|
OG
|
E:SER237
|
2.6
|
78.6
|
1.0
|
O2B
|
E:ATP700
|
2.8
|
91.7
|
1.0
|
N
|
E:SER237
|
2.9
|
73.9
|
1.0
|
O2G
|
E:ATP700
|
3.0
|
96.1
|
1.0
|
PG
|
E:ATP700
|
3.0
|
118.4
|
1.0
|
CA
|
E:SER237
|
3.2
|
69.3
|
1.0
|
O3G
|
E:ATP700
|
3.8
|
97.9
|
1.0
|
O5'
|
E:ATP700
|
3.8
|
83.7
|
1.0
|
N
|
E:SER238
|
3.9
|
66.6
|
1.0
|
O1B
|
E:ATP700
|
3.9
|
93.6
|
1.0
|
C
|
E:SER237
|
4.1
|
67.1
|
1.0
|
C
|
E:LYS236
|
4.1
|
70.9
|
1.0
|
O1G
|
E:ATP700
|
4.2
|
96.4
|
1.0
|
N
|
E:LYS236
|
4.2
|
65.1
|
1.0
|
CA
|
E:LYS236
|
4.5
|
64.0
|
1.0
|
CB
|
E:LYS236
|
4.7
|
60.6
|
1.0
|
C5'
|
E:ATP700
|
4.7
|
85.9
|
1.0
|
NH2
|
F:ARG343
|
4.7
|
85.0
|
1.0
|
OE2
|
E:GLU282
|
4.7
|
101.8
|
1.0
|
C
|
E:GLY235
|
4.8
|
68.7
|
1.0
|
OD1
|
F:ASP317
|
5.0
|
97.1
|
1.0
|
|
Magnesium binding site 6 out
of 7 in 8tpl
Go back to
Magnesium Binding Sites List in 8tpl
Magnesium binding site 6 out
of 7 in the Atp-2 State of BCS1 (Unsymmetrized)
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 6 of Atp-2 State of BCS1 (Unsymmetrized) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
F:Mg701
b:68.5
occ:1.00
|
O3B
|
F:ATP700
|
1.9
|
98.7
|
1.0
|
O1A
|
F:ATP700
|
2.2
|
89.4
|
1.0
|
PA
|
F:ATP700
|
2.3
|
84.7
|
1.0
|
O2A
|
F:ATP700
|
2.4
|
89.7
|
1.0
|
O3A
|
F:ATP700
|
2.4
|
88.5
|
1.0
|
PB
|
F:ATP700
|
2.4
|
94.7
|
1.0
|
O2B
|
F:ATP700
|
2.6
|
91.7
|
1.0
|
OG
|
F:SER237
|
2.7
|
78.6
|
1.0
|
N
|
F:SER237
|
2.7
|
73.9
|
1.0
|
CB
|
F:SER237
|
2.8
|
73.5
|
1.0
|
PG
|
F:ATP700
|
3.1
|
118.4
|
1.0
|
O2G
|
F:ATP700
|
3.1
|
96.1
|
1.0
|
CA
|
F:SER237
|
3.3
|
69.3
|
1.0
|
O3G
|
F:ATP700
|
3.7
|
97.9
|
1.0
|
N
|
F:LYS236
|
3.7
|
65.1
|
1.0
|
O1B
|
F:ATP700
|
3.8
|
93.6
|
1.0
|
C
|
F:LYS236
|
3.8
|
70.9
|
1.0
|
O5'
|
F:ATP700
|
3.8
|
83.7
|
1.0
|
N
|
F:SER238
|
3.9
|
66.6
|
1.0
|
C
|
F:SER237
|
4.1
|
67.1
|
1.0
|
CA
|
F:LYS236
|
4.1
|
64.0
|
1.0
|
O1G
|
F:ATP700
|
4.3
|
96.4
|
1.0
|
CB
|
F:LYS236
|
4.3
|
60.6
|
1.0
|
C
|
F:GLY235
|
4.5
|
68.7
|
1.0
|
NH2
|
G:ARG343
|
4.7
|
85.0
|
1.0
|
C5'
|
F:ATP700
|
4.7
|
85.9
|
1.0
|
NZ
|
F:LYS236
|
4.8
|
70.7
|
1.0
|
CA
|
F:GLY235
|
4.8
|
68.4
|
1.0
|
O
|
F:LYS236
|
4.9
|
84.7
|
1.0
|
OE2
|
F:GLU282
|
4.9
|
101.8
|
1.0
|
N
|
F:GLY235
|
5.0
|
70.4
|
1.0
|
|
Magnesium binding site 7 out
of 7 in 8tpl
Go back to
Magnesium Binding Sites List in 8tpl
Magnesium binding site 7 out
of 7 in the Atp-2 State of BCS1 (Unsymmetrized)
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 7 of Atp-2 State of BCS1 (Unsymmetrized) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
G:Mg701
b:68.5
occ:1.00
|
O3B
|
G:ATP700
|
2.0
|
98.7
|
1.0
|
O1A
|
G:ATP700
|
2.3
|
89.4
|
1.0
|
PA
|
G:ATP700
|
2.4
|
84.7
|
1.0
|
PB
|
G:ATP700
|
2.4
|
94.7
|
1.0
|
O2A
|
G:ATP700
|
2.5
|
89.7
|
1.0
|
O3A
|
G:ATP700
|
2.5
|
88.5
|
1.0
|
O2B
|
G:ATP700
|
2.5
|
91.7
|
1.0
|
OG
|
G:SER237
|
2.6
|
78.6
|
1.0
|
N
|
G:SER237
|
2.6
|
73.9
|
1.0
|
CB
|
G:SER237
|
2.7
|
73.5
|
1.0
|
PG
|
G:ATP700
|
3.0
|
118.4
|
1.0
|
O2G
|
G:ATP700
|
3.1
|
96.1
|
1.0
|
CA
|
G:SER237
|
3.2
|
69.3
|
1.0
|
O3G
|
G:ATP700
|
3.5
|
97.9
|
1.0
|
N
|
G:LYS236
|
3.7
|
65.1
|
1.0
|
C
|
G:LYS236
|
3.8
|
70.9
|
1.0
|
N
|
G:SER238
|
3.8
|
66.6
|
1.0
|
O1B
|
G:ATP700
|
3.9
|
93.6
|
1.0
|
O5'
|
G:ATP700
|
4.0
|
83.7
|
1.0
|
C
|
G:SER237
|
4.0
|
67.1
|
1.0
|
CA
|
G:LYS236
|
4.1
|
64.0
|
1.0
|
CB
|
G:LYS236
|
4.3
|
60.6
|
1.0
|
O1G
|
G:ATP700
|
4.3
|
96.4
|
1.0
|
C
|
G:GLY235
|
4.4
|
68.7
|
1.0
|
CA
|
G:GLY235
|
4.7
|
68.4
|
1.0
|
NH2
|
A:ARG343
|
4.8
|
85.0
|
1.0
|
OE2
|
G:GLU282
|
4.8
|
101.8
|
1.0
|
NZ
|
G:LYS236
|
4.8
|
70.7
|
1.0
|
O
|
G:LYS236
|
4.8
|
84.7
|
1.0
|
C5'
|
G:ATP700
|
4.9
|
85.9
|
1.0
|
N
|
G:GLY235
|
4.9
|
70.4
|
1.0
|
|
Reference:
J.Zhan,
D.Xia.
Concerted BCS1 Translocation Mechanism To Be Published.
Page generated: Fri Oct 4 20:53:34 2024
|