Magnesium in PDB 4pbu: Serial Time-Resolved Crystallography of Photosystem II Using A Femtosecond X-Ray Laser the S1 State
Enzymatic activity of Serial Time-Resolved Crystallography of Photosystem II Using A Femtosecond X-Ray Laser the S1 State
All present enzymatic activity of Serial Time-Resolved Crystallography of Photosystem II Using A Femtosecond X-Ray Laser the S1 State:
1.10.3.9;
Protein crystallography data
The structure of Serial Time-Resolved Crystallography of Photosystem II Using A Femtosecond X-Ray Laser the S1 State, PDB code: 4pbu
was solved by
C.Kupitz,
S.Basu,
I.Grotjohann,
R.Fromme,
N.Zatsepin,
K.N.Rendek,
M.Hunter,
R.L.Shoeman,
T.A.White,
D.Wang,
D.James,
J.H.Yang,
D.E.Cobb,
B.Reeder,
R.G.Sierra,
H.Liu,
A.Barty,
A.Aquila,
D.Deponte,
R.A.Kirian,
S.Bari,
J.J.Bergkamp,
K.Beyerlein,
M.J.Bogan,
C.Caleman,
T.-C.Chao,
C.E.Conrad,
K.M.Davis,
H.Fleckenstein,
L.Galli,
S.P.Hau-Riege,
S.Kassemeyer,
H.Laksmono,
M.Liang,
L.Lomb,
S.Marchesini,
A.V.Martin,
M.Messerschmidt,
D.Milathianaki,
K.Nass,
A.Ros,
S.Roy-Chowdhury,
K.Schmidt,
M.Seibert,
J.Steinbrener,
F.Stellato,
L.Yan,
C.Yoon,
T.A.Moore,
A.L.Moore,
Y.Pushkar,
G.J.Williams,
S.Boutet,
R.B.Doak,
U.Weierstall,
M.Frank,
H.N.Chapman,
J.C.H.Spence,
P.Fromme,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
100.64 /
5.00
|
Space group
|
P 21 21 21
|
Cell size a, b, c (Å), α, β, γ (°)
|
133.250,
226.260,
307.090,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
26.1 /
26.2
|
Other elements in 4pbu:
The structure of Serial Time-Resolved Crystallography of Photosystem II Using A Femtosecond X-Ray Laser the S1 State also contains other interesting chemical elements:
Magnesium Binding Sites:
Magnesium binding site 1 out
of 71 in 4pbu
Go back to
Magnesium Binding Sites List in 4pbu
Magnesium binding site 1 out
of 71 in the Serial Time-Resolved Crystallography of Photosystem II Using A Femtosecond X-Ray Laser the S1 State
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 1 of Serial Time-Resolved Crystallography of Photosystem II Using A Femtosecond X-Ray Laser the S1 State within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg606
b:20.8
occ:1.00
|
MG
|
A:CLA606
|
0.0
|
20.8
|
1.0
|
ND
|
A:CLA606
|
2.0
|
18.6
|
1.0
|
NB
|
A:CLA606
|
2.1
|
18.3
|
1.0
|
NC
|
A:CLA606
|
2.1
|
18.8
|
1.0
|
NA
|
A:CLA606
|
2.2
|
18.8
|
1.0
|
NE2
|
A:HIS198
|
2.2
|
19.9
|
1.0
|
C4D
|
A:CLA606
|
3.0
|
19.1
|
1.0
|
C4B
|
A:CLA606
|
3.1
|
18.6
|
1.0
|
C1C
|
A:CLA606
|
3.1
|
17.8
|
1.0
|
C1D
|
A:CLA606
|
3.1
|
18.3
|
1.0
|
C1B
|
A:CLA606
|
3.1
|
18.6
|
1.0
|
C4A
|
A:CLA606
|
3.2
|
18.8
|
1.0
|
C1A
|
A:CLA606
|
3.2
|
19.8
|
1.0
|
CE1
|
A:HIS198
|
3.2
|
18.3
|
1.0
|
C4C
|
A:CLA606
|
3.2
|
17.1
|
1.0
|
CD2
|
A:HIS198
|
3.2
|
19.0
|
1.0
|
CHC
|
A:CLA606
|
3.4
|
17.5
|
1.0
|
CHB
|
A:CLA606
|
3.5
|
18.1
|
1.0
|
CHA
|
A:CLA606
|
3.5
|
18.6
|
1.0
|
CHD
|
A:CLA606
|
3.6
|
19.1
|
1.0
|
CE
|
A:MET183
|
4.1
|
17.2
|
1.0
|
C3D
|
A:CLA606
|
4.2
|
18.1
|
1.0
|
ND1
|
A:HIS198
|
4.3
|
18.9
|
1.0
|
CG
|
A:HIS198
|
4.4
|
19.4
|
1.0
|
CAB
|
D:CLA402
|
4.4
|
17.5
|
1.0
|
C2D
|
A:CLA606
|
4.4
|
19.1
|
1.0
|
C3B
|
A:CLA606
|
4.4
|
17.2
|
1.0
|
C2C
|
A:CLA606
|
4.4
|
15.6
|
1.0
|
C2B
|
A:CLA606
|
4.4
|
18.8
|
1.0
|
C3C
|
A:CLA606
|
4.5
|
17.1
|
1.0
|
C3A
|
A:CLA606
|
4.5
|
19.9
|
1.0
|
C2A
|
A:CLA606
|
4.5
|
18.4
|
1.0
|
CBD
|
A:CLA606
|
5.0
|
19.4
|
1.0
|
|
Magnesium binding site 2 out
of 71 in 4pbu
Go back to
Magnesium Binding Sites List in 4pbu
Magnesium binding site 2 out
of 71 in the Serial Time-Resolved Crystallography of Photosystem II Using A Femtosecond X-Ray Laser the S1 State
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 2 of Serial Time-Resolved Crystallography of Photosystem II Using A Femtosecond X-Ray Laser the S1 State within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg607
b:21.3
occ:1.00
|
MG
|
A:CLA607
|
0.0
|
21.3
|
1.0
|
NB
|
A:CLA607
|
2.0
|
21.8
|
1.0
|
ND
|
A:CLA607
|
2.0
|
20.7
|
1.0
|
NC
|
A:CLA607
|
2.1
|
20.1
|
1.0
|
NA
|
A:CLA607
|
2.3
|
21.1
|
1.0
|
C4B
|
A:CLA607
|
3.0
|
20.9
|
1.0
|
C4D
|
A:CLA607
|
3.0
|
21.0
|
1.0
|
C1C
|
A:CLA607
|
3.0
|
20.7
|
1.0
|
C1B
|
A:CLA607
|
3.1
|
21.5
|
1.0
|
C1D
|
A:CLA607
|
3.1
|
19.7
|
1.0
|
C4C
|
A:CLA607
|
3.2
|
19.4
|
1.0
|
C4A
|
A:CLA607
|
3.2
|
20.8
|
1.0
|
C1A
|
A:CLA607
|
3.3
|
20.1
|
1.0
|
CHC
|
A:CLA607
|
3.3
|
19.5
|
1.0
|
CHB
|
A:CLA607
|
3.5
|
20.7
|
1.0
|
CHA
|
A:CLA607
|
3.5
|
20.7
|
1.0
|
CHD
|
A:CLA607
|
3.6
|
20.6
|
1.0
|
CBB
|
D:PHO401
|
3.9
|
23.2
|
1.0
|
C3D
|
A:CLA607
|
4.2
|
19.3
|
1.0
|
C3B
|
A:CLA607
|
4.3
|
21.8
|
1.0
|
C2B
|
A:CLA607
|
4.4
|
21.4
|
1.0
|
C2C
|
A:CLA607
|
4.4
|
20.4
|
1.0
|
C2D
|
A:CLA607
|
4.4
|
20.4
|
1.0
|
C3C
|
A:CLA607
|
4.4
|
21.0
|
1.0
|
CG2
|
D:ILE178
|
4.5
|
19.5
|
1.0
|
C3A
|
A:CLA607
|
4.6
|
21.1
|
1.0
|
C2A
|
A:CLA607
|
4.6
|
20.6
|
1.0
|
C20
|
D:PHO401
|
4.8
|
19.1
|
1.0
|
CG1
|
D:ILE178
|
4.8
|
19.5
|
1.0
|
CE2
|
A:PHE206
|
4.9
|
21.3
|
1.0
|
CBD
|
A:CLA607
|
5.0
|
21.1
|
1.0
|
CBA
|
A:CLA607
|
5.0
|
22.0
|
1.0
|
|
Magnesium binding site 3 out
of 71 in 4pbu
Go back to
Magnesium Binding Sites List in 4pbu
Magnesium binding site 3 out
of 71 in the Serial Time-Resolved Crystallography of Photosystem II Using A Femtosecond X-Ray Laser the S1 State
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 3 of Serial Time-Resolved Crystallography of Photosystem II Using A Femtosecond X-Ray Laser the S1 State within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg609
b:24.3
occ:1.00
|
MG
|
A:CLA609
|
0.0
|
24.3
|
1.0
|
NB
|
A:CLA609
|
2.0
|
23.4
|
1.0
|
ND
|
A:CLA609
|
2.0
|
23.8
|
1.0
|
NA
|
A:CLA609
|
2.2
|
23.1
|
1.0
|
NC
|
A:CLA609
|
2.2
|
24.4
|
1.0
|
NE2
|
A:HIS118
|
2.3
|
23.2
|
1.0
|
C4D
|
A:CLA609
|
3.0
|
22.8
|
1.0
|
C1B
|
A:CLA609
|
3.0
|
23.1
|
1.0
|
C4B
|
A:CLA609
|
3.0
|
23.5
|
1.0
|
C4A
|
A:CLA609
|
3.1
|
22.8
|
1.0
|
C1A
|
A:CLA609
|
3.2
|
23.3
|
1.0
|
C1D
|
A:CLA609
|
3.2
|
21.8
|
1.0
|
C1C
|
A:CLA609
|
3.2
|
22.9
|
1.0
|
CE1
|
A:HIS118
|
3.2
|
24.8
|
1.0
|
C4C
|
A:CLA609
|
3.2
|
23.1
|
1.0
|
CD2
|
A:HIS118
|
3.3
|
23.8
|
1.0
|
CHB
|
A:CLA609
|
3.4
|
21.8
|
1.0
|
CHC
|
A:CLA609
|
3.4
|
24.1
|
1.0
|
CHA
|
A:CLA609
|
3.5
|
21.8
|
1.0
|
CHD
|
A:CLA609
|
3.6
|
21.8
|
1.0
|
CG1
|
I:VAL8
|
4.0
|
30.8
|
1.0
|
C3D
|
A:CLA609
|
4.2
|
21.7
|
1.0
|
C3B
|
A:CLA609
|
4.3
|
24.0
|
1.0
|
ND1
|
A:HIS118
|
4.3
|
23.5
|
1.0
|
C2B
|
A:CLA609
|
4.3
|
23.1
|
1.0
|
C3A
|
A:CLA609
|
4.4
|
24.2
|
1.0
|
CG2
|
I:VAL12
|
4.4
|
31.4
|
1.0
|
C2D
|
A:CLA609
|
4.4
|
22.1
|
1.0
|
CG
|
A:HIS118
|
4.4
|
23.3
|
1.0
|
C2A
|
A:CLA609
|
4.5
|
24.4
|
1.0
|
C2C
|
A:CLA609
|
4.5
|
23.4
|
1.0
|
C3C
|
A:CLA609
|
4.5
|
23.5
|
1.0
|
CMA
|
A:CLA609
|
4.9
|
23.6
|
1.0
|
CBD
|
A:CLA609
|
5.0
|
23.6
|
1.0
|
|
Magnesium binding site 4 out
of 71 in 4pbu
Go back to
Magnesium Binding Sites List in 4pbu
Magnesium binding site 4 out
of 71 in the Serial Time-Resolved Crystallography of Photosystem II Using A Femtosecond X-Ray Laser the S1 State
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 4 of Serial Time-Resolved Crystallography of Photosystem II Using A Femtosecond X-Ray Laser the S1 State within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg614
b:18.0
occ:1.00
|
MG
|
A:CLA614
|
0.0
|
18.0
|
1.0
|
ND
|
A:CLA614
|
2.0
|
16.2
|
1.0
|
NB
|
A:CLA614
|
2.1
|
18.3
|
1.0
|
NC
|
A:CLA614
|
2.2
|
19.1
|
1.0
|
NA
|
A:CLA614
|
2.2
|
17.2
|
1.0
|
C4D
|
A:CLA614
|
2.9
|
17.1
|
1.0
|
C4B
|
A:CLA614
|
3.1
|
20.1
|
1.0
|
C1B
|
A:CLA614
|
3.1
|
18.7
|
1.0
|
C1A
|
A:CLA614
|
3.1
|
16.7
|
1.0
|
C4A
|
A:CLA614
|
3.1
|
17.9
|
1.0
|
C1C
|
A:CLA614
|
3.1
|
17.8
|
1.0
|
C1D
|
A:CLA614
|
3.2
|
17.0
|
1.0
|
C4C
|
A:CLA614
|
3.2
|
18.3
|
1.0
|
CHA
|
A:CLA614
|
3.4
|
16.6
|
1.0
|
CHB
|
A:CLA614
|
3.4
|
17.0
|
1.0
|
CHC
|
A:CLA614
|
3.4
|
19.0
|
1.0
|
CHD
|
A:CLA614
|
3.6
|
16.7
|
1.0
|
CBB
|
A:PHO608
|
4.1
|
21.8
|
1.0
|
C3D
|
A:CLA614
|
4.2
|
14.1
|
1.0
|
CG2
|
A:THR179
|
4.3
|
17.9
|
1.0
|
C3B
|
A:CLA614
|
4.4
|
19.1
|
1.0
|
C2D
|
A:CLA614
|
4.4
|
16.0
|
1.0
|
C2B
|
A:CLA614
|
4.4
|
18.3
|
1.0
|
C3A
|
A:CLA614
|
4.4
|
16.1
|
1.0
|
OG1
|
A:THR179
|
4.4
|
18.9
|
1.0
|
C2A
|
A:CLA614
|
4.5
|
17.2
|
1.0
|
C2C
|
A:CLA614
|
4.5
|
19.7
|
1.0
|
C3C
|
A:CLA614
|
4.5
|
19.3
|
1.0
|
C19
|
A:PHO608
|
4.5
|
19.2
|
1.0
|
CBA
|
A:CLA614
|
4.8
|
19.2
|
1.0
|
CB
|
A:THR179
|
4.9
|
17.7
|
1.0
|
CBD
|
A:CLA614
|
4.9
|
16.7
|
1.0
|
|
Magnesium binding site 5 out
of 71 in 4pbu
Go back to
Magnesium Binding Sites List in 4pbu
Magnesium binding site 5 out
of 71 in the Serial Time-Resolved Crystallography of Photosystem II Using A Femtosecond X-Ray Laser the S1 State
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 5 of Serial Time-Resolved Crystallography of Photosystem II Using A Femtosecond X-Ray Laser the S1 State within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mg602
b:36.5
occ:1.00
|
MG
|
B:CLA602
|
0.0
|
36.5
|
1.0
|
ND
|
B:CLA602
|
2.0
|
38.0
|
1.0
|
NB
|
B:CLA602
|
2.1
|
36.1
|
1.0
|
NC
|
B:CLA602
|
2.2
|
35.6
|
1.0
|
NA
|
B:CLA602
|
2.3
|
39.0
|
1.0
|
C4D
|
B:CLA602
|
2.9
|
39.9
|
1.0
|
C4B
|
B:CLA602
|
3.1
|
35.7
|
1.0
|
C1B
|
B:CLA602
|
3.2
|
35.9
|
1.0
|
C1D
|
B:CLA602
|
3.2
|
37.9
|
1.0
|
C1C
|
B:CLA602
|
3.2
|
35.8
|
1.0
|
C1A
|
B:CLA602
|
3.2
|
41.6
|
1.0
|
C4A
|
B:CLA602
|
3.2
|
39.3
|
1.0
|
C4C
|
B:CLA602
|
3.3
|
35.5
|
1.0
|
CHC
|
B:CLA602
|
3.4
|
35.4
|
1.0
|
CHA
|
B:CLA602
|
3.5
|
40.8
|
1.0
|
CHB
|
B:CLA602
|
3.5
|
37.0
|
1.0
|
CHD
|
B:CLA602
|
3.6
|
36.9
|
1.0
|
C10
|
B:CLA602
|
3.9
|
66.0
|
1.0
|
O
|
B:TRP185
|
4.1
|
33.7
|
1.0
|
C3D
|
B:CLA602
|
4.2
|
39.7
|
1.0
|
CE2
|
B:PHE190
|
4.2
|
31.2
|
1.0
|
C12
|
B:CLA602
|
4.3
|
65.5
|
1.0
|
C3B
|
B:CLA602
|
4.4
|
34.8
|
1.0
|
C2D
|
B:CLA602
|
4.4
|
38.6
|
1.0
|
C2B
|
B:CLA602
|
4.5
|
34.8
|
1.0
|
CZ
|
B:PHE190
|
4.5
|
31.7
|
1.0
|
C2C
|
B:CLA602
|
4.5
|
34.6
|
1.0
|
C2A
|
B:CLA602
|
4.5
|
42.9
|
1.0
|
C3A
|
B:CLA602
|
4.5
|
41.0
|
1.0
|
C3C
|
B:CLA602
|
4.6
|
35.2
|
1.0
|
CBB
|
B:CLA603
|
4.6
|
29.6
|
1.0
|
C8
|
B:CLA602
|
4.6
|
66.3
|
1.0
|
C11
|
B:CLA602
|
4.7
|
65.6
|
1.0
|
CBD
|
B:CLA602
|
4.9
|
42.2
|
1.0
|
|
Magnesium binding site 6 out
of 71 in 4pbu
Go back to
Magnesium Binding Sites List in 4pbu
Magnesium binding site 6 out
of 71 in the Serial Time-Resolved Crystallography of Photosystem II Using A Femtosecond X-Ray Laser the S1 State
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 6 of Serial Time-Resolved Crystallography of Photosystem II Using A Femtosecond X-Ray Laser the S1 State within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mg603
b:28.4
occ:1.00
|
MG
|
B:CLA603
|
0.0
|
28.4
|
1.0
|
ND
|
B:CLA603
|
2.0
|
25.7
|
1.0
|
NB
|
B:CLA603
|
2.1
|
27.9
|
1.0
|
NC
|
B:CLA603
|
2.2
|
27.9
|
1.0
|
ND1
|
B:HIS201
|
2.2
|
26.5
|
1.0
|
NA
|
B:CLA603
|
2.3
|
26.9
|
1.0
|
C4D
|
B:CLA603
|
3.0
|
25.4
|
1.0
|
CE1
|
B:HIS201
|
3.0
|
26.8
|
1.0
|
C4B
|
B:CLA603
|
3.1
|
28.4
|
1.0
|
C1C
|
B:CLA603
|
3.1
|
28.0
|
1.0
|
C1B
|
B:CLA603
|
3.1
|
28.0
|
1.0
|
C1D
|
B:CLA603
|
3.2
|
26.2
|
1.0
|
C4A
|
B:CLA603
|
3.2
|
27.8
|
1.0
|
C4C
|
B:CLA603
|
3.2
|
27.2
|
1.0
|
C1A
|
B:CLA603
|
3.2
|
26.9
|
1.0
|
CG
|
B:HIS201
|
3.3
|
25.7
|
1.0
|
CHC
|
B:CLA603
|
3.4
|
27.9
|
1.0
|
CHB
|
B:CLA603
|
3.5
|
27.2
|
1.0
|
CHA
|
B:CLA603
|
3.5
|
25.1
|
1.0
|
CHD
|
B:CLA603
|
3.6
|
26.2
|
1.0
|
CZ
|
H:PHE41
|
3.7
|
29.6
|
1.0
|
CB
|
B:HIS201
|
3.8
|
26.2
|
1.0
|
CE2
|
H:PHE41
|
4.1
|
27.8
|
1.0
|
NE2
|
B:HIS201
|
4.2
|
27.7
|
1.0
|
C3D
|
B:CLA603
|
4.2
|
25.9
|
1.0
|
CA
|
B:HIS201
|
4.4
|
26.3
|
1.0
|
CD2
|
B:HIS201
|
4.4
|
25.4
|
1.0
|
C3B
|
B:CLA603
|
4.4
|
28.2
|
1.0
|
C2D
|
B:CLA603
|
4.4
|
25.8
|
1.0
|
C2C
|
B:CLA603
|
4.5
|
27.8
|
1.0
|
C2B
|
B:CLA603
|
4.5
|
28.4
|
1.0
|
C3A
|
B:CLA603
|
4.5
|
26.5
|
1.0
|
C3C
|
B:CLA603
|
4.5
|
27.0
|
1.0
|
C2A
|
B:CLA603
|
4.5
|
26.5
|
1.0
|
CE1
|
H:PHE41
|
4.8
|
28.0
|
1.0
|
CBD
|
B:CLA603
|
5.0
|
25.3
|
1.0
|
O
|
B:HIS201
|
5.0
|
26.7
|
1.0
|
|
Magnesium binding site 7 out
of 71 in 4pbu
Go back to
Magnesium Binding Sites List in 4pbu
Magnesium binding site 7 out
of 71 in the Serial Time-Resolved Crystallography of Photosystem II Using A Femtosecond X-Ray Laser the S1 State
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 7 of Serial Time-Resolved Crystallography of Photosystem II Using A Femtosecond X-Ray Laser the S1 State within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mg604
b:24.1
occ:1.00
|
MG
|
B:CLA604
|
0.0
|
24.1
|
1.0
|
ND
|
B:CLA604
|
2.0
|
23.5
|
1.0
|
NB
|
B:CLA604
|
2.0
|
22.0
|
1.0
|
NC
|
B:CLA604
|
2.1
|
22.6
|
1.0
|
NE2
|
B:HIS202
|
2.2
|
24.7
|
1.0
|
NA
|
B:CLA604
|
2.3
|
22.8
|
1.0
|
C4D
|
B:CLA604
|
3.0
|
21.7
|
1.0
|
C4B
|
B:CLA604
|
3.0
|
21.5
|
1.0
|
C1B
|
B:CLA604
|
3.1
|
21.4
|
1.0
|
CD2
|
B:HIS202
|
3.1
|
26.2
|
1.0
|
C1C
|
B:CLA604
|
3.1
|
21.5
|
1.0
|
C1D
|
B:CLA604
|
3.1
|
22.6
|
1.0
|
C4C
|
B:CLA604
|
3.2
|
21.5
|
1.0
|
C4A
|
B:CLA604
|
3.2
|
22.7
|
1.0
|
C1A
|
B:CLA604
|
3.2
|
22.5
|
1.0
|
CE1
|
B:HIS202
|
3.2
|
26.5
|
1.0
|
CHC
|
B:CLA604
|
3.4
|
21.2
|
1.0
|
CHB
|
B:CLA604
|
3.5
|
22.0
|
1.0
|
CHA
|
B:CLA604
|
3.5
|
21.9
|
1.0
|
CHD
|
B:CLA604
|
3.5
|
22.3
|
1.0
|
C3D
|
B:CLA604
|
4.2
|
22.0
|
1.0
|
CG
|
B:HIS202
|
4.3
|
25.7
|
1.0
|
ND1
|
B:HIS202
|
4.3
|
25.8
|
1.0
|
C3B
|
B:CLA604
|
4.4
|
20.8
|
1.0
|
C2B
|
B:CLA604
|
4.4
|
20.6
|
1.0
|
C2D
|
B:CLA604
|
4.4
|
22.9
|
1.0
|
C2C
|
B:CLA604
|
4.5
|
20.9
|
1.0
|
C3C
|
B:CLA604
|
4.5
|
21.4
|
1.0
|
C3A
|
B:CLA604
|
4.5
|
23.2
|
1.0
|
C2A
|
B:CLA604
|
4.5
|
22.9
|
1.0
|
C6
|
B:CLA606
|
4.6
|
31.5
|
1.0
|
C4
|
B:CLA606
|
4.6
|
31.6
|
1.0
|
NE2
|
B:HIS201
|
4.7
|
27.7
|
1.0
|
CD2
|
B:HIS201
|
4.7
|
25.4
|
1.0
|
C7
|
B:CLA606
|
4.8
|
32.4
|
1.0
|
C5
|
B:CLA606
|
4.9
|
30.8
|
1.0
|
CBA
|
B:CLA604
|
5.0
|
22.2
|
1.0
|
|
Magnesium binding site 8 out
of 71 in 4pbu
Go back to
Magnesium Binding Sites List in 4pbu
Magnesium binding site 8 out
of 71 in the Serial Time-Resolved Crystallography of Photosystem II Using A Femtosecond X-Ray Laser the S1 State
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 8 of Serial Time-Resolved Crystallography of Photosystem II Using A Femtosecond X-Ray Laser the S1 State within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mg605
b:22.4
occ:1.00
|
MG
|
B:CLA605
|
0.0
|
22.4
|
1.0
|
NB
|
B:CLA605
|
2.0
|
22.6
|
1.0
|
ND
|
B:CLA605
|
2.1
|
21.9
|
1.0
|
NC
|
B:CLA605
|
2.1
|
21.8
|
1.0
|
NE2
|
B:HIS455
|
2.2
|
18.4
|
1.0
|
NA
|
B:CLA605
|
2.3
|
22.1
|
1.0
|
C4B
|
B:CLA605
|
3.0
|
21.6
|
1.0
|
CD2
|
B:HIS455
|
3.0
|
18.5
|
1.0
|
C4D
|
B:CLA605
|
3.1
|
21.9
|
1.0
|
C1C
|
B:CLA605
|
3.1
|
21.9
|
1.0
|
C1B
|
B:CLA605
|
3.1
|
21.0
|
1.0
|
C1D
|
B:CLA605
|
3.2
|
21.5
|
1.0
|
C4C
|
B:CLA605
|
3.2
|
21.9
|
1.0
|
C4A
|
B:CLA605
|
3.2
|
21.4
|
1.0
|
CE1
|
B:HIS455
|
3.2
|
18.1
|
1.0
|
C1A
|
B:CLA605
|
3.3
|
21.8
|
1.0
|
CHC
|
B:CLA605
|
3.3
|
21.6
|
1.0
|
CHB
|
B:CLA605
|
3.5
|
21.1
|
1.0
|
CHD
|
B:CLA605
|
3.6
|
20.8
|
1.0
|
CHA
|
B:CLA605
|
3.6
|
21.7
|
1.0
|
CG
|
B:HIS455
|
4.2
|
18.4
|
1.0
|
C3D
|
B:CLA605
|
4.3
|
21.1
|
1.0
|
ND1
|
B:HIS455
|
4.3
|
19.1
|
1.0
|
C14
|
B:CLA613
|
4.3
|
30.4
|
1.0
|
C3B
|
B:CLA605
|
4.3
|
22.6
|
1.0
|
C2B
|
B:CLA605
|
4.4
|
22.2
|
1.0
|
C2C
|
B:CLA605
|
4.4
|
21.5
|
1.0
|
C2D
|
B:CLA605
|
4.5
|
23.1
|
1.0
|
C3C
|
B:CLA605
|
4.5
|
21.1
|
1.0
|
C3A
|
B:CLA605
|
4.6
|
22.6
|
1.0
|
C2A
|
B:CLA605
|
4.6
|
22.3
|
1.0
|
C13
|
B:CLA613
|
4.9
|
31.2
|
1.0
|
C15
|
B:CLA613
|
4.9
|
30.3
|
1.0
|
|
Magnesium binding site 9 out
of 71 in 4pbu
Go back to
Magnesium Binding Sites List in 4pbu
Magnesium binding site 9 out
of 71 in the Serial Time-Resolved Crystallography of Photosystem II Using A Femtosecond X-Ray Laser the S1 State
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 9 of Serial Time-Resolved Crystallography of Photosystem II Using A Femtosecond X-Ray Laser the S1 State within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mg606
b:23.5
occ:1.00
|
MG
|
B:CLA606
|
0.0
|
23.5
|
1.0
|
ND
|
B:CLA606
|
2.0
|
23.8
|
1.0
|
NB
|
B:CLA606
|
2.1
|
23.6
|
1.0
|
NE2
|
B:HIS100
|
2.1
|
20.6
|
1.0
|
NC
|
B:CLA606
|
2.2
|
24.4
|
1.0
|
NA
|
B:CLA606
|
2.3
|
22.7
|
1.0
|
C4D
|
B:CLA606
|
3.0
|
22.6
|
1.0
|
CD2
|
B:HIS100
|
3.1
|
20.8
|
1.0
|
C4B
|
B:CLA606
|
3.1
|
24.8
|
1.0
|
C1B
|
B:CLA606
|
3.1
|
23.8
|
1.0
|
CE1
|
B:HIS100
|
3.1
|
22.3
|
1.0
|
C1D
|
B:CLA606
|
3.1
|
22.7
|
1.0
|
C1C
|
B:CLA606
|
3.2
|
23.7
|
1.0
|
C4A
|
B:CLA606
|
3.2
|
24.5
|
1.0
|
C1A
|
B:CLA606
|
3.2
|
22.4
|
1.0
|
C4C
|
B:CLA606
|
3.2
|
24.5
|
1.0
|
CHC
|
B:CLA606
|
3.4
|
22.8
|
1.0
|
CHB
|
B:CLA606
|
3.5
|
23.3
|
1.0
|
CHA
|
B:CLA606
|
3.5
|
22.2
|
1.0
|
CHD
|
B:CLA606
|
3.6
|
22.9
|
1.0
|
C1
|
B:CLA605
|
4.0
|
32.9
|
1.0
|
C2
|
B:CLA605
|
4.2
|
36.5
|
1.0
|
C3D
|
B:CLA606
|
4.2
|
22.2
|
1.0
|
CG
|
B:HIS100
|
4.2
|
21.8
|
1.0
|
ND1
|
B:HIS100
|
4.2
|
22.6
|
1.0
|
C3B
|
B:CLA606
|
4.4
|
24.4
|
1.0
|
C2D
|
B:CLA606
|
4.4
|
22.9
|
1.0
|
C2B
|
B:CLA606
|
4.4
|
23.7
|
1.0
|
C2C
|
B:CLA606
|
4.5
|
22.6
|
1.0
|
C3A
|
B:CLA606
|
4.5
|
22.7
|
1.0
|
C3C
|
B:CLA606
|
4.5
|
23.1
|
1.0
|
C2A
|
B:CLA606
|
4.6
|
23.4
|
1.0
|
C4
|
B:CLA607
|
4.9
|
27.8
|
1.0
|
CBD
|
B:CLA606
|
5.0
|
22.6
|
1.0
|
|
Magnesium binding site 10 out
of 71 in 4pbu
Go back to
Magnesium Binding Sites List in 4pbu
Magnesium binding site 10 out
of 71 in the Serial Time-Resolved Crystallography of Photosystem II Using A Femtosecond X-Ray Laser the S1 State
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 10 of Serial Time-Resolved Crystallography of Photosystem II Using A Femtosecond X-Ray Laser the S1 State within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mg607
b:27.6
occ:1.00
|
MG
|
B:CLA607
|
0.0
|
27.6
|
1.0
|
ND
|
B:CLA607
|
2.1
|
28.7
|
1.0
|
NB
|
B:CLA607
|
2.1
|
26.9
|
1.0
|
NC
|
B:CLA607
|
2.2
|
27.9
|
1.0
|
ND1
|
B:HIS157
|
2.2
|
25.6
|
1.0
|
NA
|
B:CLA607
|
2.3
|
26.8
|
1.0
|
C4D
|
B:CLA607
|
3.0
|
29.0
|
1.0
|
C4B
|
B:CLA607
|
3.1
|
26.8
|
1.0
|
C1B
|
B:CLA607
|
3.1
|
26.2
|
1.0
|
CE1
|
B:HIS157
|
3.1
|
27.7
|
1.0
|
C1C
|
B:CLA607
|
3.1
|
28.1
|
1.0
|
C1D
|
B:CLA607
|
3.2
|
29.1
|
1.0
|
C4C
|
B:CLA607
|
3.2
|
28.7
|
1.0
|
C4A
|
B:CLA607
|
3.2
|
26.4
|
1.0
|
C1A
|
B:CLA607
|
3.3
|
27.1
|
1.0
|
CG
|
B:HIS157
|
3.3
|
27.1
|
1.0
|
CHC
|
B:CLA607
|
3.4
|
27.7
|
1.0
|
CHB
|
B:CLA607
|
3.5
|
25.6
|
1.0
|
CHA
|
B:CLA607
|
3.6
|
28.2
|
1.0
|
CHD
|
B:CLA607
|
3.6
|
28.7
|
1.0
|
CB
|
B:HIS157
|
3.7
|
27.6
|
1.0
|
C3D
|
B:CLA607
|
4.2
|
29.5
|
1.0
|
NE2
|
B:HIS157
|
4.3
|
28.1
|
1.0
|
C3B
|
B:CLA607
|
4.4
|
26.2
|
1.0
|
CD2
|
B:HIS157
|
4.4
|
26.8
|
1.0
|
C2B
|
B:CLA607
|
4.4
|
26.2
|
1.0
|
C2D
|
B:CLA607
|
4.4
|
29.7
|
1.0
|
C2C
|
B:CLA607
|
4.5
|
28.4
|
1.0
|
C3C
|
B:CLA607
|
4.5
|
28.7
|
1.0
|
C3A
|
B:CLA607
|
4.6
|
25.2
|
1.0
|
C2A
|
B:CLA607
|
4.6
|
26.0
|
1.0
|
CA
|
B:HIS157
|
4.9
|
27.4
|
1.0
|
CD
|
B:PRO164
|
4.9
|
29.9
|
1.0
|
|
Reference:
C.Kupitz,
S.Basu,
I.Grotjohann,
R.Fromme,
N.A.Zatsepin,
K.N.Rendek,
M.S.Hunter,
R.L.Shoeman,
T.A.White,
D.Wang,
D.James,
J.H.Yang,
D.E.Cobb,
B.Reeder,
R.G.Sierra,
H.Liu,
A.Barty,
A.L.Aquila,
D.Deponte,
R.A.Kirian,
S.Bari,
J.J.Bergkamp,
K.R.Beyerlein,
M.J.Bogan,
C.Caleman,
T.C.Chao,
C.E.Conrad,
K.M.Davis,
H.Fleckenstein,
L.Galli,
S.P.Hau-Riege,
S.Kassemeyer,
H.Laksmono,
M.Liang,
L.Lomb,
S.Marchesini,
A.V.Martin,
M.Messerschmidt,
D.Milathianaki,
K.Nass,
A.Ros,
S.Roy-Chowdhury,
K.Schmidt,
M.Seibert,
J.Steinbrener,
F.Stellato,
L.Yan,
C.Yoon,
T.A.Moore,
A.L.Moore,
Y.Pushkar,
G.J.Williams,
S.Boutet,
R.B.Doak,
U.Weierstall,
M.Frank,
H.N.Chapman,
J.C.Spence,
P.Fromme.
Serial Time-Resolved Crystallography of Photosystem II Using A Femtosecond X-Ray Laser. Nature V. 513 261 2014.
ISSN: ESSN 1476-4687
PubMed: 25043005
DOI: 10.1038/NATURE13453
Page generated: Tue Aug 20 01:17:08 2024
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