Magnesium in PDB 4lf1: Hexameric Form II Rubisco From Rhodopseudomonas Palustris, Activated and Complexed with 2-Cabp
Enzymatic activity of Hexameric Form II Rubisco From Rhodopseudomonas Palustris, Activated and Complexed with 2-Cabp
All present enzymatic activity of Hexameric Form II Rubisco From Rhodopseudomonas Palustris, Activated and Complexed with 2-Cabp:
4.1.1.39;
Protein crystallography data
The structure of Hexameric Form II Rubisco From Rhodopseudomonas Palustris, Activated and Complexed with 2-Cabp, PDB code: 4lf1
was solved by
S.Chan,
S.Satagopan,
M.R.Sawaya,
D.Eisenberg,
F.R.Tabita,
L.J.Perry,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
71.29 /
2.38
|
Space group
|
P 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
75.033,
100.720,
100.690,
66.51,
108.32,
95.41
|
R / Rfree (%)
|
26.3 /
31.5
|
Magnesium Binding Sites:
The binding sites of Magnesium atom in the Hexameric Form II Rubisco From Rhodopseudomonas Palustris, Activated and Complexed with 2-Cabp
(pdb code 4lf1). This binding sites where shown within
5.0 Angstroms radius around Magnesium atom.
In total 6 binding sites of Magnesium where determined in the
Hexameric Form II Rubisco From Rhodopseudomonas Palustris, Activated and Complexed with 2-Cabp, PDB code: 4lf1:
Jump to Magnesium binding site number:
1;
2;
3;
4;
5;
6;
Magnesium binding site 1 out
of 6 in 4lf1
Go back to
Magnesium Binding Sites List in 4lf1
Magnesium binding site 1 out
of 6 in the Hexameric Form II Rubisco From Rhodopseudomonas Palustris, Activated and Complexed with 2-Cabp
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 1 of Hexameric Form II Rubisco From Rhodopseudomonas Palustris, Activated and Complexed with 2-Cabp within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg801
b:12.7
occ:1.00
|
OD1
|
A:ASP194
|
1.9
|
18.3
|
1.0
|
OE1
|
A:GLU195
|
2.0
|
16.9
|
1.0
|
OQ2
|
A:KCX192
|
2.0
|
22.5
|
1.0
|
O6
|
A:CAP800
|
2.2
|
18.7
|
1.0
|
O2
|
A:CAP800
|
2.3
|
10.9
|
1.0
|
O3
|
A:CAP800
|
2.3
|
6.6
|
1.0
|
C2
|
A:CAP800
|
2.9
|
12.1
|
1.0
|
C
|
A:CAP800
|
2.9
|
13.0
|
1.0
|
CG
|
A:ASP194
|
3.0
|
11.2
|
1.0
|
CD
|
A:GLU195
|
3.1
|
13.0
|
1.0
|
CX
|
A:KCX192
|
3.2
|
11.2
|
1.0
|
C3
|
A:CAP800
|
3.2
|
12.1
|
1.0
|
OE2
|
A:GLU195
|
3.6
|
10.1
|
1.0
|
OQ1
|
A:KCX192
|
3.6
|
25.3
|
1.0
|
OD2
|
A:ASP194
|
3.6
|
11.9
|
1.0
|
N
|
A:GLU195
|
3.7
|
11.2
|
1.0
|
NZ
|
A:LYS169
|
3.8
|
16.1
|
1.0
|
NZ
|
A:LYS167
|
3.9
|
8.2
|
1.0
|
ND2
|
B:ASN112
|
3.9
|
16.8
|
1.0
|
CA
|
A:ASP194
|
4.0
|
11.7
|
1.0
|
CB
|
A:ASP194
|
4.1
|
9.5
|
1.0
|
NE2
|
A:HIS288
|
4.1
|
11.0
|
1.0
|
O7
|
A:CAP800
|
4.2
|
20.2
|
1.0
|
NZ
|
A:KCX192
|
4.2
|
17.5
|
1.0
|
CG
|
A:GLU195
|
4.3
|
17.2
|
1.0
|
C
|
A:ASP194
|
4.3
|
10.8
|
1.0
|
C1
|
A:CAP800
|
4.4
|
13.4
|
1.0
|
CG2
|
A:ILE165
|
4.4
|
8.8
|
1.0
|
C4
|
A:CAP800
|
4.4
|
15.7
|
1.0
|
CE
|
A:LYS169
|
4.4
|
13.9
|
1.0
|
CB
|
A:GLU195
|
4.4
|
17.9
|
1.0
|
CE1
|
A:HIS288
|
4.6
|
14.0
|
1.0
|
CA
|
A:GLU195
|
4.7
|
10.4
|
1.0
|
O1
|
A:CAP800
|
4.8
|
10.8
|
1.0
|
|
Magnesium binding site 2 out
of 6 in 4lf1
Go back to
Magnesium Binding Sites List in 4lf1
Magnesium binding site 2 out
of 6 in the Hexameric Form II Rubisco From Rhodopseudomonas Palustris, Activated and Complexed with 2-Cabp
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 2 of Hexameric Form II Rubisco From Rhodopseudomonas Palustris, Activated and Complexed with 2-Cabp within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mg801
b:33.3
occ:1.00
|
OE1
|
B:GLU195
|
1.8
|
17.2
|
1.0
|
O6
|
B:CAP800
|
2.0
|
21.2
|
1.0
|
OQ2
|
B:KCX192
|
2.0
|
22.3
|
1.0
|
OD1
|
B:ASP194
|
2.1
|
18.3
|
1.0
|
O3
|
B:CAP800
|
2.4
|
15.7
|
1.0
|
O2
|
B:CAP800
|
2.7
|
4.3
|
1.0
|
C
|
B:CAP800
|
2.9
|
13.8
|
1.0
|
CD
|
B:GLU195
|
2.9
|
13.1
|
1.0
|
C2
|
B:CAP800
|
3.1
|
13.6
|
1.0
|
CX
|
B:KCX192
|
3.2
|
11.0
|
1.0
|
CG
|
B:ASP194
|
3.2
|
11.4
|
1.0
|
C3
|
B:CAP800
|
3.3
|
13.4
|
1.0
|
OE2
|
B:GLU195
|
3.4
|
9.4
|
1.0
|
ND2
|
A:ASN112
|
3.5
|
3.0
|
1.0
|
OQ1
|
B:KCX192
|
3.6
|
25.0
|
1.0
|
N
|
B:GLU195
|
3.7
|
11.3
|
1.0
|
OD2
|
B:ASP194
|
3.9
|
12.1
|
1.0
|
NE2
|
B:HIS288
|
3.9
|
10.8
|
1.0
|
O7
|
B:CAP800
|
4.0
|
11.9
|
1.0
|
CA
|
B:ASP194
|
4.1
|
11.5
|
1.0
|
CG
|
B:GLU195
|
4.2
|
17.2
|
1.0
|
NZ
|
B:LYS169
|
4.2
|
17.3
|
1.0
|
NZ
|
B:KCX192
|
4.3
|
17.7
|
1.0
|
CB
|
B:ASP194
|
4.3
|
9.4
|
1.0
|
CB
|
B:GLU195
|
4.3
|
18.0
|
1.0
|
NZ
|
B:LYS167
|
4.3
|
9.7
|
1.0
|
CE1
|
B:HIS288
|
4.4
|
14.2
|
1.0
|
C4
|
B:CAP800
|
4.4
|
14.0
|
1.0
|
C
|
B:ASP194
|
4.4
|
10.9
|
1.0
|
CG2
|
B:ILE165
|
4.6
|
9.0
|
1.0
|
C1
|
B:CAP800
|
4.6
|
2.0
|
1.0
|
CG
|
A:ASN112
|
4.6
|
17.9
|
1.0
|
CA
|
B:GLU195
|
4.6
|
10.8
|
1.0
|
CE
|
B:LYS169
|
4.7
|
11.3
|
1.0
|
C5
|
B:CAP800
|
4.8
|
22.8
|
1.0
|
CD2
|
B:HIS288
|
4.9
|
13.7
|
1.0
|
O1
|
B:CAP800
|
4.9
|
7.7
|
1.0
|
OD1
|
A:ASN112
|
5.0
|
19.4
|
1.0
|
|
Magnesium binding site 3 out
of 6 in 4lf1
Go back to
Magnesium Binding Sites List in 4lf1
Magnesium binding site 3 out
of 6 in the Hexameric Form II Rubisco From Rhodopseudomonas Palustris, Activated and Complexed with 2-Cabp
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 3 of Hexameric Form II Rubisco From Rhodopseudomonas Palustris, Activated and Complexed with 2-Cabp within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Mg801
b:33.4
occ:1.00
|
OD1
|
C:ASP194
|
1.8
|
18.3
|
1.0
|
OQ2
|
C:KCX192
|
2.2
|
22.5
|
1.0
|
OE1
|
C:GLU195
|
2.4
|
17.1
|
1.0
|
O2
|
C:CAP800
|
2.5
|
7.8
|
1.0
|
O6
|
C:CAP800
|
2.5
|
13.2
|
1.0
|
O3
|
C:CAP800
|
2.6
|
13.6
|
1.0
|
CG
|
C:ASP194
|
2.8
|
11.5
|
1.0
|
C2
|
C:CAP800
|
3.2
|
10.7
|
1.0
|
C
|
C:CAP800
|
3.2
|
2.0
|
1.0
|
CX
|
C:KCX192
|
3.3
|
10.9
|
1.0
|
CD
|
C:GLU195
|
3.4
|
13.0
|
1.0
|
C3
|
C:CAP800
|
3.4
|
17.6
|
1.0
|
OD2
|
C:ASP194
|
3.4
|
11.9
|
1.0
|
NZ
|
C:LYS167
|
3.5
|
7.8
|
1.0
|
OQ1
|
C:KCX192
|
3.7
|
25.1
|
1.0
|
OE2
|
C:GLU195
|
3.7
|
10.0
|
1.0
|
NZ
|
C:LYS169
|
3.9
|
17.6
|
1.0
|
N
|
C:GLU195
|
3.9
|
11.2
|
1.0
|
ND2
|
D:ASN112
|
3.9
|
9.9
|
1.0
|
CG2
|
C:ILE165
|
4.0
|
9.1
|
1.0
|
CB
|
C:ASP194
|
4.0
|
9.4
|
1.0
|
CA
|
C:ASP194
|
4.0
|
11.6
|
1.0
|
CE
|
C:LYS169
|
4.3
|
12.7
|
1.0
|
NZ
|
C:KCX192
|
4.4
|
17.5
|
1.0
|
O7
|
C:CAP800
|
4.4
|
5.2
|
1.0
|
NE2
|
C:HIS288
|
4.4
|
10.9
|
1.0
|
C
|
C:ASP194
|
4.5
|
10.8
|
1.0
|
CG
|
C:GLU195
|
4.7
|
17.3
|
1.0
|
C1
|
C:CAP800
|
4.7
|
2.0
|
1.0
|
C4
|
C:CAP800
|
4.8
|
17.1
|
1.0
|
CE
|
C:LYS167
|
4.8
|
12.6
|
1.0
|
CB
|
C:GLU195
|
4.8
|
18.0
|
1.0
|
O1
|
C:CAP800
|
4.9
|
16.2
|
1.0
|
O
|
C:HOH966
|
5.0
|
14.5
|
1.0
|
CE1
|
C:HIS288
|
5.0
|
14.2
|
1.0
|
|
Magnesium binding site 4 out
of 6 in 4lf1
Go back to
Magnesium Binding Sites List in 4lf1
Magnesium binding site 4 out
of 6 in the Hexameric Form II Rubisco From Rhodopseudomonas Palustris, Activated and Complexed with 2-Cabp
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 4 of Hexameric Form II Rubisco From Rhodopseudomonas Palustris, Activated and Complexed with 2-Cabp within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Mg801
b:14.0
occ:1.00
|
OD1
|
D:ASP194
|
1.8
|
18.3
|
1.0
|
OQ2
|
D:KCX192
|
2.2
|
22.6
|
1.0
|
OE1
|
D:GLU195
|
2.3
|
17.0
|
1.0
|
O2
|
D:CAP800
|
2.3
|
15.7
|
1.0
|
O6
|
D:CAP800
|
2.4
|
34.9
|
1.0
|
O3
|
D:CAP800
|
2.5
|
4.1
|
1.0
|
CG
|
D:ASP194
|
2.9
|
11.2
|
1.0
|
C2
|
D:CAP800
|
3.1
|
16.1
|
1.0
|
C
|
D:CAP800
|
3.1
|
14.2
|
1.0
|
NZ
|
D:LYS169
|
3.2
|
17.4
|
1.0
|
CD
|
D:GLU195
|
3.3
|
12.9
|
1.0
|
CX
|
D:KCX192
|
3.3
|
11.2
|
1.0
|
C3
|
D:CAP800
|
3.3
|
15.6
|
1.0
|
OD2
|
D:ASP194
|
3.4
|
11.9
|
1.0
|
NZ
|
D:LYS167
|
3.5
|
7.3
|
1.0
|
OE2
|
D:GLU195
|
3.7
|
10.2
|
1.0
|
OQ1
|
D:KCX192
|
3.7
|
25.3
|
1.0
|
ND2
|
C:ASN112
|
3.7
|
20.4
|
1.0
|
N
|
D:GLU195
|
3.9
|
10.9
|
1.0
|
CB
|
D:ASP194
|
4.0
|
9.5
|
1.0
|
CA
|
D:ASP194
|
4.0
|
11.7
|
1.0
|
O7
|
D:CAP800
|
4.3
|
22.0
|
1.0
|
CG2
|
D:ILE165
|
4.3
|
8.8
|
1.0
|
NZ
|
D:KCX192
|
4.4
|
17.5
|
1.0
|
C
|
D:ASP194
|
4.4
|
10.8
|
1.0
|
NE2
|
D:HIS288
|
4.5
|
10.9
|
1.0
|
CE
|
D:LYS169
|
4.5
|
12.0
|
1.0
|
C1
|
D:CAP800
|
4.5
|
17.8
|
1.0
|
CG
|
D:GLU195
|
4.5
|
17.3
|
1.0
|
C4
|
D:CAP800
|
4.6
|
24.2
|
1.0
|
CB
|
D:GLU195
|
4.7
|
17.8
|
1.0
|
O1
|
D:CAP800
|
4.8
|
17.1
|
1.0
|
CA
|
D:GLU195
|
4.9
|
10.6
|
1.0
|
CE1
|
D:HIS288
|
4.9
|
14.1
|
1.0
|
CE
|
D:LYS167
|
4.9
|
9.3
|
1.0
|
|
Magnesium binding site 5 out
of 6 in 4lf1
Go back to
Magnesium Binding Sites List in 4lf1
Magnesium binding site 5 out
of 6 in the Hexameric Form II Rubisco From Rhodopseudomonas Palustris, Activated and Complexed with 2-Cabp
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 5 of Hexameric Form II Rubisco From Rhodopseudomonas Palustris, Activated and Complexed with 2-Cabp within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Mg801
b:21.8
occ:1.00
|
OD1
|
E:ASP194
|
1.9
|
18.4
|
1.0
|
OQ2
|
E:KCX192
|
2.1
|
22.5
|
1.0
|
OE1
|
E:GLU195
|
2.2
|
16.8
|
1.0
|
O3
|
E:CAP800
|
2.4
|
2.2
|
1.0
|
O6
|
E:CAP800
|
2.4
|
14.6
|
1.0
|
O2
|
E:CAP800
|
2.5
|
2.0
|
1.0
|
CG
|
E:ASP194
|
3.0
|
11.4
|
1.0
|
C
|
E:CAP800
|
3.1
|
4.5
|
1.0
|
C2
|
E:CAP800
|
3.1
|
5.2
|
1.0
|
CX
|
E:KCX192
|
3.2
|
11.1
|
1.0
|
CD
|
E:GLU195
|
3.2
|
13.0
|
1.0
|
C3
|
E:CAP800
|
3.3
|
7.4
|
1.0
|
OD2
|
E:ASP194
|
3.6
|
11.9
|
1.0
|
OQ1
|
E:KCX192
|
3.6
|
25.1
|
1.0
|
OE2
|
E:GLU195
|
3.7
|
10.0
|
1.0
|
NZ
|
E:LYS169
|
3.8
|
14.8
|
1.0
|
N
|
E:GLU195
|
3.8
|
11.1
|
1.0
|
ND2
|
F:ASN112
|
3.9
|
6.8
|
1.0
|
NZ
|
E:LYS167
|
4.0
|
7.7
|
1.0
|
CA
|
E:ASP194
|
4.0
|
11.5
|
1.0
|
CB
|
E:ASP194
|
4.1
|
9.4
|
1.0
|
NE2
|
E:HIS288
|
4.2
|
10.9
|
1.0
|
NZ
|
E:KCX192
|
4.3
|
17.6
|
1.0
|
CG2
|
E:ILE165
|
4.3
|
9.0
|
1.0
|
O7
|
E:CAP800
|
4.3
|
11.7
|
1.0
|
C
|
E:ASP194
|
4.4
|
10.7
|
1.0
|
CG
|
E:GLU195
|
4.5
|
17.3
|
1.0
|
CE
|
E:LYS169
|
4.5
|
14.3
|
1.0
|
C1
|
E:CAP800
|
4.6
|
2.0
|
1.0
|
C4
|
E:CAP800
|
4.6
|
2.0
|
1.0
|
CB
|
E:GLU195
|
4.7
|
17.8
|
1.0
|
CE1
|
E:HIS288
|
4.8
|
14.2
|
1.0
|
O1
|
E:CAP800
|
4.8
|
13.2
|
1.0
|
CA
|
E:GLU195
|
4.9
|
10.7
|
1.0
|
|
Magnesium binding site 6 out
of 6 in 4lf1
Go back to
Magnesium Binding Sites List in 4lf1
Magnesium binding site 6 out
of 6 in the Hexameric Form II Rubisco From Rhodopseudomonas Palustris, Activated and Complexed with 2-Cabp
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 6 of Hexameric Form II Rubisco From Rhodopseudomonas Palustris, Activated and Complexed with 2-Cabp within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
F:Mg801
b:11.1
occ:1.00
|
OQ2
|
F:KCX192
|
1.9
|
22.5
|
1.0
|
O6
|
F:CAP800
|
2.0
|
14.7
|
1.0
|
OD1
|
F:ASP194
|
2.0
|
18.1
|
1.0
|
O3
|
F:CAP800
|
2.2
|
21.8
|
1.0
|
OE1
|
F:GLU195
|
2.3
|
16.9
|
1.0
|
O2
|
F:CAP800
|
2.4
|
23.5
|
1.0
|
C
|
F:CAP800
|
2.8
|
20.6
|
1.0
|
C2
|
F:CAP800
|
3.0
|
22.8
|
1.0
|
CX
|
F:KCX192
|
3.0
|
11.2
|
1.0
|
CG
|
F:ASP194
|
3.1
|
11.3
|
1.0
|
C3
|
F:CAP800
|
3.1
|
12.9
|
1.0
|
CD
|
F:GLU195
|
3.4
|
12.9
|
1.0
|
OQ1
|
F:KCX192
|
3.4
|
25.2
|
1.0
|
OD2
|
F:ASP194
|
3.7
|
11.9
|
1.0
|
NZ
|
F:LYS167
|
3.8
|
6.7
|
1.0
|
OE2
|
F:GLU195
|
3.8
|
9.8
|
1.0
|
N
|
F:GLU195
|
3.9
|
11.2
|
1.0
|
O7
|
F:CAP800
|
4.0
|
29.9
|
1.0
|
CA
|
F:ASP194
|
4.0
|
11.4
|
1.0
|
ND2
|
E:ASN112
|
4.0
|
5.0
|
1.0
|
NE2
|
F:HIS288
|
4.1
|
11.0
|
1.0
|
NZ
|
F:KCX192
|
4.1
|
17.6
|
1.0
|
CB
|
F:ASP194
|
4.1
|
9.4
|
1.0
|
CG2
|
F:ILE165
|
4.3
|
9.0
|
1.0
|
C4
|
F:CAP800
|
4.4
|
10.9
|
1.0
|
C1
|
F:CAP800
|
4.5
|
14.7
|
1.0
|
C
|
F:ASP194
|
4.5
|
10.8
|
1.0
|
CE
|
F:LYS169
|
4.6
|
14.9
|
1.0
|
CG
|
F:GLU195
|
4.6
|
17.4
|
1.0
|
CB
|
F:GLU195
|
4.7
|
17.8
|
1.0
|
CE1
|
F:HIS288
|
4.7
|
14.2
|
1.0
|
O1
|
F:CAP800
|
4.8
|
16.6
|
1.0
|
NZ
|
F:LYS169
|
4.8
|
18.4
|
1.0
|
CA
|
F:GLU195
|
4.9
|
10.7
|
1.0
|
|
Reference:
S.Chan,
S.Satagopan,
M.R.Sawaya,
D.Eisenberg,
F.R.Tabita,
L.J.Perry.
Structure-Function Studies with the Unique Hexameric Form II Rubisco From Rhodopseudomonas Palustris J.Biol.Chem. 2014.
ISSN: ESSN 1083-351X
Page generated: Sat Aug 17 04:54:05 2024
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