Magnesium in PDB 2j8d: X-Ray High Resolution Structure of the Photosynthetic Reaction Center From Rb. Sphaeroides at pH 8 in the Charge-Separated State
Protein crystallography data
The structure of X-Ray High Resolution Structure of the Photosynthetic Reaction Center From Rb. Sphaeroides at pH 8 in the Charge-Separated State, PDB code: 2j8d
was solved by
J.Koepke,
R.Diehm,
G.Fritzsch,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
119.52 /
2.07
|
Space group
|
P 31 2 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
140.010,
140.010,
184.760,
90.00,
90.00,
120.00
|
R / Rfree (%)
|
19.7 /
21.8
|
Other elements in 2j8d:
The structure of X-Ray High Resolution Structure of the Photosynthetic Reaction Center From Rb. Sphaeroides at pH 8 in the Charge-Separated State also contains other interesting chemical elements:
Magnesium Binding Sites:
The binding sites of Magnesium atom in the X-Ray High Resolution Structure of the Photosynthetic Reaction Center From Rb. Sphaeroides at pH 8 in the Charge-Separated State
(pdb code 2j8d). This binding sites where shown within
5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the
X-Ray High Resolution Structure of the Photosynthetic Reaction Center From Rb. Sphaeroides at pH 8 in the Charge-Separated State, PDB code: 2j8d:
Jump to Magnesium binding site number:
1;
2;
3;
4;
Magnesium binding site 1 out
of 4 in 2j8d
Go back to
Magnesium Binding Sites List in 2j8d
Magnesium binding site 1 out
of 4 in the X-Ray High Resolution Structure of the Photosynthetic Reaction Center From Rb. Sphaeroides at pH 8 in the Charge-Separated State
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 1 of X-Ray High Resolution Structure of the Photosynthetic Reaction Center From Rb. Sphaeroides at pH 8 in the Charge-Separated State within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
L:Mg1282
b:18.0
occ:1.00
|
MG
|
L:BCL1282
|
0.0
|
18.0
|
1.0
|
ND
|
L:BCL1282
|
2.0
|
17.6
|
1.0
|
NB
|
L:BCL1282
|
2.1
|
16.6
|
1.0
|
NC
|
L:BCL1282
|
2.1
|
17.4
|
1.0
|
NA
|
L:BCL1282
|
2.1
|
18.2
|
1.0
|
NE2
|
L:HIS173
|
2.2
|
15.2
|
1.0
|
C4D
|
L:BCL1282
|
3.0
|
18.5
|
1.0
|
C4C
|
L:BCL1282
|
3.0
|
16.6
|
1.0
|
C4A
|
L:BCL1282
|
3.0
|
18.5
|
1.0
|
C1C
|
L:BCL1282
|
3.1
|
17.5
|
1.0
|
C1D
|
L:BCL1282
|
3.1
|
17.4
|
1.0
|
C1B
|
L:BCL1282
|
3.1
|
16.5
|
1.0
|
C4B
|
L:BCL1282
|
3.1
|
18.1
|
1.0
|
CE1
|
L:HIS173
|
3.1
|
15.4
|
1.0
|
C1A
|
L:BCL1282
|
3.2
|
16.9
|
1.0
|
CD2
|
L:HIS173
|
3.3
|
12.2
|
1.0
|
CHD
|
L:BCL1282
|
3.4
|
18.2
|
1.0
|
CHB
|
L:BCL1282
|
3.4
|
15.6
|
1.0
|
CHC
|
L:BCL1282
|
3.5
|
19.2
|
1.0
|
CHA
|
L:BCL1282
|
3.5
|
17.6
|
1.0
|
OBB
|
M:BCL1309
|
3.6
|
25.8
|
1.0
|
CAB
|
M:BCL1309
|
3.7
|
19.8
|
1.0
|
CBB
|
M:BCL1309
|
3.8
|
13.9
|
1.0
|
C3D
|
L:BCL1282
|
4.1
|
18.2
|
1.0
|
C2D
|
L:BCL1282
|
4.2
|
18.9
|
1.0
|
C2B
|
L:BCL1282
|
4.2
|
18.5
|
1.0
|
C3B
|
L:BCL1282
|
4.3
|
17.3
|
1.0
|
ND1
|
L:HIS173
|
4.3
|
14.4
|
1.0
|
C3A
|
L:BCL1282
|
4.4
|
17.5
|
1.0
|
C3C
|
L:BCL1282
|
4.4
|
16.4
|
1.0
|
C2C
|
L:BCL1282
|
4.4
|
17.8
|
1.0
|
CG
|
L:HIS173
|
4.4
|
15.5
|
1.0
|
C3B
|
M:BCL1309
|
4.4
|
18.4
|
1.0
|
C2A
|
L:BCL1282
|
4.5
|
17.5
|
1.0
|
CD1
|
L:PHE167
|
4.8
|
19.3
|
1.0
|
CBD
|
L:BCL1282
|
5.0
|
16.2
|
1.0
|
|
Magnesium binding site 2 out
of 4 in 2j8d
Go back to
Magnesium Binding Sites List in 2j8d
Magnesium binding site 2 out
of 4 in the X-Ray High Resolution Structure of the Photosynthetic Reaction Center From Rb. Sphaeroides at pH 8 in the Charge-Separated State
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 2 of X-Ray High Resolution Structure of the Photosynthetic Reaction Center From Rb. Sphaeroides at pH 8 in the Charge-Separated State within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
L:Mg1283
b:19.8
occ:1.00
|
MG
|
L:BCL1283
|
0.0
|
19.8
|
1.0
|
ND
|
L:BCL1283
|
2.0
|
15.9
|
1.0
|
NB
|
L:BCL1283
|
2.0
|
18.0
|
1.0
|
NC
|
L:BCL1283
|
2.1
|
17.1
|
1.0
|
NA
|
L:BCL1283
|
2.1
|
17.5
|
1.0
|
CE1
|
L:HIS153
|
2.4
|
22.8
|
1.0
|
C4D
|
L:BCL1283
|
2.9
|
17.2
|
1.0
|
C4C
|
L:BCL1283
|
3.0
|
18.1
|
1.0
|
C4A
|
L:BCL1283
|
3.1
|
18.9
|
1.0
|
C4B
|
L:BCL1283
|
3.1
|
22.6
|
1.0
|
C1C
|
L:BCL1283
|
3.1
|
18.5
|
1.0
|
C1B
|
L:BCL1283
|
3.1
|
19.7
|
1.0
|
C1D
|
L:BCL1283
|
3.1
|
18.4
|
1.0
|
C1A
|
L:BCL1283
|
3.1
|
18.9
|
1.0
|
ND1
|
L:HIS153
|
3.2
|
23.8
|
1.0
|
CHD
|
L:BCL1283
|
3.4
|
18.9
|
1.0
|
CHB
|
L:BCL1283
|
3.4
|
16.1
|
1.0
|
CHC
|
L:BCL1283
|
3.4
|
19.4
|
1.0
|
CHA
|
L:BCL1283
|
3.4
|
18.6
|
1.0
|
NE2
|
L:HIS153
|
3.4
|
24.8
|
1.0
|
C3D
|
L:BCL1283
|
4.1
|
17.4
|
1.0
|
C2D
|
L:BCL1283
|
4.2
|
18.1
|
1.0
|
C2B
|
L:BCL1283
|
4.2
|
19.6
|
1.0
|
C3B
|
L:BCL1283
|
4.3
|
21.6
|
1.0
|
OBB
|
L:BPH1287
|
4.3
|
26.6
|
1.0
|
C3C
|
L:BCL1283
|
4.4
|
17.0
|
1.0
|
C3A
|
L:BCL1283
|
4.4
|
18.9
|
1.0
|
C2C
|
L:BCL1283
|
4.4
|
17.2
|
1.0
|
C2A
|
L:BCL1283
|
4.4
|
19.2
|
1.0
|
CG
|
L:HIS153
|
4.5
|
22.7
|
1.0
|
CD2
|
L:HIS153
|
4.6
|
21.4
|
1.0
|
CE2
|
M:TYR210
|
4.6
|
21.1
|
1.0
|
CBA
|
L:BCL1283
|
4.8
|
18.2
|
1.0
|
CBC
|
L:BCL1283
|
4.8
|
15.2
|
1.0
|
CD1
|
L:LEU154
|
4.8
|
24.9
|
1.0
|
CBD
|
L:BCL1283
|
4.9
|
19.7
|
1.0
|
C20
|
L:BPH1287
|
4.9
|
20.9
|
1.0
|
|
Magnesium binding site 3 out
of 4 in 2j8d
Go back to
Magnesium Binding Sites List in 2j8d
Magnesium binding site 3 out
of 4 in the X-Ray High Resolution Structure of the Photosynthetic Reaction Center From Rb. Sphaeroides at pH 8 in the Charge-Separated State
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 3 of X-Ray High Resolution Structure of the Photosynthetic Reaction Center From Rb. Sphaeroides at pH 8 in the Charge-Separated State within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
M:Mg1308
b:19.0
occ:1.00
|
MG
|
M:BCL1308
|
0.0
|
19.0
|
1.0
|
ND
|
M:BCL1308
|
2.0
|
17.0
|
1.0
|
NB
|
M:BCL1308
|
2.0
|
20.1
|
1.0
|
NC
|
M:BCL1308
|
2.0
|
18.7
|
1.0
|
NA
|
M:BCL1308
|
2.0
|
18.2
|
1.0
|
NE2
|
M:HIS182
|
2.1
|
22.3
|
1.0
|
C4D
|
M:BCL1308
|
2.9
|
15.2
|
1.0
|
C1C
|
M:BCL1308
|
3.0
|
18.2
|
1.0
|
CD2
|
M:HIS182
|
3.0
|
23.1
|
1.0
|
C4A
|
M:BCL1308
|
3.0
|
19.6
|
1.0
|
C4B
|
M:BCL1308
|
3.0
|
19.6
|
1.0
|
C4C
|
M:BCL1308
|
3.0
|
17.5
|
1.0
|
C1D
|
M:BCL1308
|
3.1
|
14.0
|
1.0
|
C1B
|
M:BCL1308
|
3.1
|
19.8
|
1.0
|
C1A
|
M:BCL1308
|
3.1
|
17.1
|
1.0
|
CE1
|
M:HIS182
|
3.2
|
24.4
|
1.0
|
CHC
|
M:BCL1308
|
3.4
|
17.6
|
1.0
|
CHA
|
M:BCL1308
|
3.4
|
14.2
|
1.0
|
CHB
|
M:BCL1308
|
3.4
|
20.4
|
1.0
|
CHD
|
M:BCL1308
|
3.5
|
14.7
|
1.0
|
C3D
|
M:BCL1308
|
4.1
|
13.0
|
1.0
|
C2D
|
M:BCL1308
|
4.2
|
14.2
|
1.0
|
CG
|
M:HIS182
|
4.2
|
23.4
|
1.0
|
C3B
|
M:BCL1308
|
4.2
|
19.8
|
1.0
|
C2B
|
M:BCL1308
|
4.2
|
19.4
|
1.0
|
ND1
|
M:HIS182
|
4.3
|
23.2
|
1.0
|
C2C
|
M:BCL1308
|
4.3
|
17.9
|
1.0
|
C3A
|
M:BCL1308
|
4.3
|
20.7
|
1.0
|
C3C
|
M:BCL1308
|
4.4
|
19.1
|
1.0
|
C2A
|
M:BCL1308
|
4.4
|
19.6
|
1.0
|
OBB
|
M:BPH1317
|
4.5
|
29.8
|
1.0
|
CE2
|
L:PHE181
|
4.8
|
18.4
|
1.0
|
CBD
|
M:BCL1308
|
4.9
|
17.2
|
1.0
|
CBA
|
M:BCL1308
|
4.9
|
26.8
|
1.0
|
|
Magnesium binding site 4 out
of 4 in 2j8d
Go back to
Magnesium Binding Sites List in 2j8d
Magnesium binding site 4 out
of 4 in the X-Ray High Resolution Structure of the Photosynthetic Reaction Center From Rb. Sphaeroides at pH 8 in the Charge-Separated State
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 4 of X-Ray High Resolution Structure of the Photosynthetic Reaction Center From Rb. Sphaeroides at pH 8 in the Charge-Separated State within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
M:Mg1309
b:19.5
occ:1.00
|
MG
|
M:BCL1309
|
0.0
|
19.5
|
1.0
|
NB
|
M:BCL1309
|
2.0
|
16.6
|
1.0
|
ND
|
M:BCL1309
|
2.0
|
17.0
|
1.0
|
NC
|
M:BCL1309
|
2.1
|
17.8
|
1.0
|
NA
|
M:BCL1309
|
2.1
|
16.4
|
1.0
|
NE2
|
M:HIS202
|
2.1
|
18.7
|
1.0
|
C4D
|
M:BCL1309
|
2.9
|
19.9
|
1.0
|
C1C
|
M:BCL1309
|
3.0
|
18.0
|
1.0
|
CE1
|
M:HIS202
|
3.0
|
17.9
|
1.0
|
C4B
|
M:BCL1309
|
3.1
|
17.8
|
1.0
|
C4C
|
M:BCL1309
|
3.1
|
17.6
|
1.0
|
C1B
|
M:BCL1309
|
3.1
|
16.7
|
1.0
|
C4A
|
M:BCL1309
|
3.1
|
15.2
|
1.0
|
C1D
|
M:BCL1309
|
3.1
|
19.3
|
1.0
|
C1A
|
M:BCL1309
|
3.1
|
15.6
|
1.0
|
CD2
|
M:HIS202
|
3.2
|
19.9
|
1.0
|
CHC
|
M:BCL1309
|
3.4
|
17.1
|
1.0
|
CHA
|
M:BCL1309
|
3.5
|
16.4
|
1.0
|
CHB
|
M:BCL1309
|
3.5
|
15.7
|
1.0
|
CHD
|
M:BCL1309
|
3.5
|
17.2
|
1.0
|
CBB
|
L:BCL1282
|
3.7
|
18.9
|
1.0
|
CAB
|
L:BCL1282
|
3.7
|
18.7
|
1.0
|
OBB
|
L:BCL1282
|
3.8
|
20.3
|
1.0
|
C3D
|
M:BCL1309
|
4.1
|
18.9
|
1.0
|
ND1
|
M:HIS202
|
4.2
|
16.8
|
1.0
|
C2B
|
M:BCL1309
|
4.2
|
17.3
|
1.0
|
C3B
|
M:BCL1309
|
4.2
|
18.4
|
1.0
|
C2D
|
M:BCL1309
|
4.3
|
19.6
|
1.0
|
CG
|
M:HIS202
|
4.3
|
17.6
|
1.0
|
C2C
|
M:BCL1309
|
4.3
|
17.9
|
1.0
|
C3C
|
M:BCL1309
|
4.4
|
17.5
|
1.0
|
C3B
|
L:BCL1282
|
4.4
|
17.3
|
1.0
|
C3A
|
M:BCL1309
|
4.4
|
17.2
|
1.0
|
C2A
|
M:BCL1309
|
4.5
|
16.9
|
1.0
|
CBD
|
M:BCL1309
|
4.9
|
18.7
|
1.0
|
|
Reference:
J.Koepke,
E.M.Krammer,
A.R.Klingen,
P.Sebban,
G.M.Ullmann,
G.Fritzsch.
pH Modulates the Quinone Position in the Photosynthetic Reaction Center From Rhodobacter Sphaeroides in the Neutral and Charge Separated States. J.Mol.Biol. V. 371 396 2007.
ISSN: ISSN 0022-2836
PubMed: 17570397
DOI: 10.1016/J.JMB.2007.04.082
Page generated: Wed Aug 14 00:39:54 2024
|