Iron in PDB 8f4i: Rt Xfel Structure of Photosystem II 2000 Microseconds After the Third Illumination at 2.00 Angstrom Resolution
Enzymatic activity of Rt Xfel Structure of Photosystem II 2000 Microseconds After the Third Illumination at 2.00 Angstrom Resolution
All present enzymatic activity of Rt Xfel Structure of Photosystem II 2000 Microseconds After the Third Illumination at 2.00 Angstrom Resolution:
1.10.3.9;
Protein crystallography data
The structure of Rt Xfel Structure of Photosystem II 2000 Microseconds After the Third Illumination at 2.00 Angstrom Resolution, PDB code: 8f4i
was solved by
A.Bhowmick,
R.Hussein,
I.Bogacz,
P.S.Simon,
M.Ibrahim,
R.Chatterjee,
M.D.Doyle,
M.H.Cheah,
T.Fransson,
P.Chernev,
I.-S.Kim,
H.Makita,
M.Dasgupta,
C.J.Kaminsky,
M.Zhang,
J.Gatcke,
S.Haupt,
I.I.Nangca,
S.M.Keable,
O.Aydin,
K.Tono,
S.Owada,
L.B.Gee,
F.D.Fuller,
A.Batyuk,
R.Alonso-Mori,
J.M.Holton,
D.W.Paley,
N.W.Moriarty,
F.Mamedov,
P.D.Adams,
A.S.Brewster,
H.Dobbek,
N.K.Sauter,
U.Bergmann,
A.Zouni,
J.Messinger,
J.Kern,
J.Yano,
V.K.Yachandra,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
19.72 /
2.00
|
Space group
|
P 21 21 21
|
Cell size a, b, c (Å), α, β, γ (°)
|
117.31,
222.595,
308.896,
90,
90,
90
|
R / Rfree (%)
|
18.6 /
23.2
|
Other elements in 8f4i:
The structure of Rt Xfel Structure of Photosystem II 2000 Microseconds After the Third Illumination at 2.00 Angstrom Resolution also contains other interesting chemical elements:
Iron Binding Sites:
The binding sites of Iron atom in the Rt Xfel Structure of Photosystem II 2000 Microseconds After the Third Illumination at 2.00 Angstrom Resolution
(pdb code 8f4i). This binding sites where shown within
5.0 Angstroms radius around Iron atom.
In total 6 binding sites of Iron where determined in the
Rt Xfel Structure of Photosystem II 2000 Microseconds After the Third Illumination at 2.00 Angstrom Resolution, PDB code: 8f4i:
Jump to Iron binding site number:
1;
2;
3;
4;
5;
6;
Iron binding site 1 out
of 6 in 8f4i
Go back to
Iron Binding Sites List in 8f4i
Iron binding site 1 out
of 6 in the Rt Xfel Structure of Photosystem II 2000 Microseconds After the Third Illumination at 2.00 Angstrom Resolution
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 1 of Rt Xfel Structure of Photosystem II 2000 Microseconds After the Third Illumination at 2.00 Angstrom Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe603
b:26.6
occ:1.00
|
NE2
|
D:HIS214
|
2.2
|
28.4
|
1.0
|
NE2
|
A:HIS215
|
2.2
|
27.9
|
1.0
|
O1
|
D:BCT401
|
2.2
|
29.0
|
1.0
|
O2
|
D:BCT401
|
2.2
|
31.9
|
1.0
|
NE2
|
D:HIS268
|
2.2
|
27.7
|
1.0
|
NE2
|
A:HIS272
|
2.3
|
29.2
|
1.0
|
C
|
D:BCT401
|
2.4
|
29.9
|
1.0
|
CE1
|
D:HIS214
|
3.1
|
23.0
|
1.0
|
CE1
|
A:HIS215
|
3.1
|
30.4
|
1.0
|
CE1
|
D:HIS268
|
3.2
|
26.7
|
1.0
|
CE1
|
A:HIS272
|
3.2
|
24.5
|
1.0
|
CD2
|
D:HIS214
|
3.2
|
25.9
|
1.0
|
CD2
|
A:HIS215
|
3.2
|
28.1
|
1.0
|
CD2
|
D:HIS268
|
3.3
|
26.8
|
1.0
|
CD2
|
A:HIS272
|
3.3
|
25.5
|
1.0
|
O3
|
D:BCT401
|
3.8
|
34.2
|
1.0
|
ND1
|
D:HIS214
|
4.2
|
25.6
|
1.0
|
ND1
|
A:HIS215
|
4.2
|
24.8
|
1.0
|
CG
|
D:HIS214
|
4.3
|
26.4
|
1.0
|
ND1
|
D:HIS268
|
4.3
|
27.3
|
1.0
|
CG
|
A:HIS215
|
4.3
|
25.5
|
1.0
|
ND1
|
A:HIS272
|
4.3
|
30.7
|
1.0
|
CG
|
D:HIS268
|
4.4
|
26.8
|
1.0
|
CG
|
A:HIS272
|
4.4
|
28.3
|
1.0
|
CG2
|
A:VAL219
|
4.8
|
27.2
|
1.0
|
CG2
|
D:VAL218
|
4.9
|
25.6
|
1.0
|
OH
|
D:TYR244
|
4.9
|
36.6
|
1.0
|
|
Iron binding site 2 out
of 6 in 8f4i
Go back to
Iron Binding Sites List in 8f4i
Iron binding site 2 out
of 6 in the Rt Xfel Structure of Photosystem II 2000 Microseconds After the Third Illumination at 2.00 Angstrom Resolution
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 2 of Rt Xfel Structure of Photosystem II 2000 Microseconds After the Third Illumination at 2.00 Angstrom Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
F:Fe101
b:44.7
occ:1.00
|
FE
|
F:HEM101
|
0.0
|
44.7
|
1.0
|
ND
|
F:HEM101
|
2.0
|
40.8
|
1.0
|
NB
|
F:HEM101
|
2.0
|
39.3
|
1.0
|
NA
|
F:HEM101
|
2.0
|
43.5
|
1.0
|
NC
|
F:HEM101
|
2.1
|
45.0
|
1.0
|
NE2
|
E:HIS23
|
2.1
|
47.6
|
1.0
|
NE2
|
F:HIS24
|
2.1
|
42.2
|
1.0
|
CD2
|
F:HIS24
|
2.9
|
38.3
|
1.0
|
C4D
|
F:HEM101
|
3.0
|
44.3
|
1.0
|
C1A
|
F:HEM101
|
3.0
|
44.3
|
1.0
|
C1D
|
F:HEM101
|
3.0
|
46.8
|
1.0
|
C4B
|
F:HEM101
|
3.0
|
40.6
|
1.0
|
CD2
|
E:HIS23
|
3.0
|
43.5
|
1.0
|
C1B
|
F:HEM101
|
3.0
|
45.0
|
1.0
|
C4A
|
F:HEM101
|
3.0
|
41.4
|
1.0
|
C1C
|
F:HEM101
|
3.1
|
43.2
|
1.0
|
CE1
|
E:HIS23
|
3.1
|
48.2
|
1.0
|
C4C
|
F:HEM101
|
3.1
|
40.0
|
1.0
|
CE1
|
F:HIS24
|
3.3
|
41.2
|
1.0
|
CHA
|
F:HEM101
|
3.3
|
42.8
|
1.0
|
CHC
|
F:HEM101
|
3.4
|
43.0
|
1.0
|
CHB
|
F:HEM101
|
3.4
|
41.5
|
1.0
|
CHD
|
F:HEM101
|
3.4
|
43.2
|
1.0
|
CG
|
F:HIS24
|
4.1
|
40.8
|
1.0
|
C3D
|
F:HEM101
|
4.1
|
42.9
|
1.0
|
C2D
|
F:HEM101
|
4.2
|
45.3
|
1.0
|
ND1
|
E:HIS23
|
4.2
|
49.6
|
1.0
|
CG
|
E:HIS23
|
4.2
|
46.5
|
1.0
|
C2A
|
F:HEM101
|
4.2
|
48.1
|
1.0
|
C3A
|
F:HEM101
|
4.2
|
46.8
|
1.0
|
C3B
|
F:HEM101
|
4.2
|
44.9
|
1.0
|
C2B
|
F:HEM101
|
4.3
|
41.9
|
1.0
|
ND1
|
F:HIS24
|
4.3
|
45.2
|
1.0
|
C2C
|
F:HEM101
|
4.3
|
42.3
|
1.0
|
C3C
|
F:HEM101
|
4.3
|
41.0
|
1.0
|
CD1
|
E:ILE22
|
4.5
|
46.9
|
0.1
|
NE1
|
F:TRP20
|
4.9
|
45.4
|
1.0
|
CZ2
|
F:TRP20
|
4.9
|
43.3
|
1.0
|
CE1
|
E:TYR19
|
5.0
|
51.2
|
1.0
|
|
Iron binding site 3 out
of 6 in 8f4i
Go back to
Iron Binding Sites List in 8f4i
Iron binding site 3 out
of 6 in the Rt Xfel Structure of Photosystem II 2000 Microseconds After the Third Illumination at 2.00 Angstrom Resolution
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 3 of Rt Xfel Structure of Photosystem II 2000 Microseconds After the Third Illumination at 2.00 Angstrom Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
V:Fe201
b:27.8
occ:1.00
|
FE
|
V:HEC201
|
0.0
|
27.8
|
1.0
|
NA
|
V:HEC201
|
2.0
|
26.4
|
1.0
|
NB
|
V:HEC201
|
2.0
|
28.6
|
1.0
|
ND
|
V:HEC201
|
2.1
|
26.7
|
1.0
|
NC
|
V:HEC201
|
2.1
|
26.8
|
1.0
|
NE2
|
V:HIS92
|
2.1
|
33.8
|
1.0
|
NE2
|
V:HIS41
|
2.1
|
25.6
|
1.0
|
CD2
|
V:HIS41
|
3.0
|
27.8
|
1.0
|
CD2
|
V:HIS92
|
3.0
|
31.7
|
1.0
|
C4A
|
V:HEC201
|
3.0
|
30.8
|
1.0
|
C1A
|
V:HEC201
|
3.0
|
31.7
|
1.0
|
C1B
|
V:HEC201
|
3.0
|
28.2
|
1.0
|
C4D
|
V:HEC201
|
3.0
|
28.6
|
1.0
|
C4C
|
V:HEC201
|
3.1
|
27.3
|
1.0
|
CE1
|
V:HIS92
|
3.1
|
31.1
|
1.0
|
C1D
|
V:HEC201
|
3.1
|
27.2
|
1.0
|
C4B
|
V:HEC201
|
3.1
|
29.9
|
1.0
|
C1C
|
V:HEC201
|
3.1
|
33.1
|
1.0
|
CE1
|
V:HIS41
|
3.2
|
28.1
|
1.0
|
CHA
|
V:HEC201
|
3.4
|
28.5
|
1.0
|
CHB
|
V:HEC201
|
3.4
|
27.5
|
1.0
|
CHD
|
V:HEC201
|
3.4
|
29.3
|
1.0
|
CHC
|
V:HEC201
|
3.5
|
30.0
|
1.0
|
ND1
|
V:HIS92
|
4.1
|
32.4
|
1.0
|
CG
|
V:HIS92
|
4.1
|
33.0
|
1.0
|
CG
|
V:HIS41
|
4.2
|
28.7
|
1.0
|
C3A
|
V:HEC201
|
4.2
|
31.9
|
1.0
|
C2A
|
V:HEC201
|
4.3
|
29.6
|
1.0
|
ND1
|
V:HIS41
|
4.3
|
31.6
|
1.0
|
C2B
|
V:HEC201
|
4.3
|
29.2
|
1.0
|
C3D
|
V:HEC201
|
4.3
|
24.2
|
1.0
|
C3B
|
V:HEC201
|
4.3
|
29.2
|
1.0
|
C3C
|
V:HEC201
|
4.3
|
29.6
|
1.0
|
C2D
|
V:HEC201
|
4.3
|
27.2
|
1.0
|
C2C
|
V:HEC201
|
4.3
|
31.2
|
1.0
|
CE1
|
V:TYR75
|
4.9
|
31.1
|
1.0
|
|
Iron binding site 4 out
of 6 in 8f4i
Go back to
Iron Binding Sites List in 8f4i
Iron binding site 4 out
of 6 in the Rt Xfel Structure of Photosystem II 2000 Microseconds After the Third Illumination at 2.00 Angstrom Resolution
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 4 of Rt Xfel Structure of Photosystem II 2000 Microseconds After the Third Illumination at 2.00 Angstrom Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
a:Fe603
b:33.5
occ:1.00
|
NE2
|
a:HIS215
|
2.1
|
31.7
|
1.0
|
O1
|
d:BCT401
|
2.2
|
38.6
|
1.0
|
NE2
|
d:HIS214
|
2.2
|
34.2
|
1.0
|
O2
|
d:BCT401
|
2.3
|
32.8
|
1.0
|
NE2
|
d:HIS268
|
2.3
|
35.8
|
1.0
|
NE2
|
a:HIS272
|
2.3
|
40.1
|
1.0
|
C
|
d:BCT401
|
2.4
|
41.2
|
1.0
|
CE1
|
a:HIS215
|
3.0
|
34.5
|
1.0
|
CE1
|
d:HIS214
|
3.1
|
29.8
|
1.0
|
CE1
|
a:HIS272
|
3.1
|
41.4
|
1.0
|
CD2
|
a:HIS215
|
3.2
|
33.8
|
1.0
|
CD2
|
d:HIS214
|
3.2
|
29.4
|
1.0
|
CD2
|
d:HIS268
|
3.2
|
34.5
|
1.0
|
CE1
|
d:HIS268
|
3.3
|
32.6
|
1.0
|
CD2
|
a:HIS272
|
3.4
|
34.5
|
1.0
|
O3
|
d:BCT401
|
3.9
|
47.9
|
1.0
|
ND1
|
a:HIS215
|
4.2
|
34.2
|
1.0
|
ND1
|
d:HIS214
|
4.2
|
30.8
|
1.0
|
CG
|
a:HIS215
|
4.3
|
28.2
|
1.0
|
ND1
|
a:HIS272
|
4.3
|
37.9
|
1.0
|
CG
|
d:HIS214
|
4.3
|
29.7
|
1.0
|
ND1
|
d:HIS268
|
4.4
|
34.1
|
1.0
|
CG
|
d:HIS268
|
4.4
|
34.0
|
1.0
|
CG
|
a:HIS272
|
4.4
|
35.8
|
1.0
|
CG2
|
a:VAL219
|
4.8
|
31.9
|
1.0
|
CG2
|
d:VAL218
|
5.0
|
31.6
|
1.0
|
OH
|
d:TYR244
|
5.0
|
42.5
|
1.0
|
|
Iron binding site 5 out
of 6 in 8f4i
Go back to
Iron Binding Sites List in 8f4i
Iron binding site 5 out
of 6 in the Rt Xfel Structure of Photosystem II 2000 Microseconds After the Third Illumination at 2.00 Angstrom Resolution
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 5 of Rt Xfel Structure of Photosystem II 2000 Microseconds After the Third Illumination at 2.00 Angstrom Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
e:Fe101
b:52.4
occ:1.00
|
FE
|
e:HEM101
|
0.0
|
52.4
|
1.0
|
NC
|
e:HEM101
|
2.0
|
46.0
|
1.0
|
ND
|
e:HEM101
|
2.1
|
52.1
|
1.0
|
NB
|
e:HEM101
|
2.1
|
52.2
|
1.0
|
NA
|
e:HEM101
|
2.1
|
51.6
|
1.0
|
NE2
|
f:HIS24
|
2.1
|
52.3
|
1.0
|
NE2
|
e:HIS23
|
2.2
|
54.9
|
1.0
|
CD2
|
e:HIS23
|
2.9
|
55.5
|
1.0
|
C4C
|
e:HEM101
|
3.0
|
48.2
|
1.0
|
C1D
|
e:HEM101
|
3.0
|
49.9
|
1.0
|
C1C
|
e:HEM101
|
3.0
|
49.1
|
1.0
|
C4D
|
e:HEM101
|
3.0
|
51.9
|
1.0
|
C1B
|
e:HEM101
|
3.1
|
56.0
|
1.0
|
C4A
|
e:HEM101
|
3.1
|
53.3
|
1.0
|
C1A
|
e:HEM101
|
3.1
|
53.9
|
1.0
|
CD2
|
f:HIS24
|
3.1
|
49.7
|
1.0
|
CE1
|
f:HIS24
|
3.1
|
50.4
|
1.0
|
C4B
|
e:HEM101
|
3.1
|
52.6
|
1.0
|
CE1
|
e:HIS23
|
3.3
|
57.6
|
1.0
|
CHD
|
e:HEM101
|
3.4
|
51.6
|
1.0
|
CHB
|
e:HEM101
|
3.4
|
54.6
|
1.0
|
CHC
|
e:HEM101
|
3.4
|
53.4
|
1.0
|
CHA
|
e:HEM101
|
3.4
|
53.9
|
1.0
|
CG
|
e:HIS23
|
4.1
|
58.5
|
1.0
|
C2D
|
e:HEM101
|
4.2
|
49.9
|
1.0
|
C3D
|
e:HEM101
|
4.2
|
51.3
|
1.0
|
ND1
|
f:HIS24
|
4.2
|
51.1
|
1.0
|
C3C
|
e:HEM101
|
4.2
|
53.1
|
1.0
|
C2C
|
e:HEM101
|
4.2
|
53.7
|
1.0
|
CG
|
f:HIS24
|
4.2
|
49.5
|
1.0
|
ND1
|
e:HIS23
|
4.3
|
58.5
|
1.0
|
C3A
|
e:HEM101
|
4.3
|
59.9
|
1.0
|
C2A
|
e:HEM101
|
4.3
|
53.8
|
1.0
|
C2B
|
e:HEM101
|
4.3
|
52.5
|
1.0
|
C3B
|
e:HEM101
|
4.3
|
50.2
|
1.0
|
CE1
|
e:TYR19
|
4.9
|
60.4
|
1.0
|
|
Iron binding site 6 out
of 6 in 8f4i
Go back to
Iron Binding Sites List in 8f4i
Iron binding site 6 out
of 6 in the Rt Xfel Structure of Photosystem II 2000 Microseconds After the Third Illumination at 2.00 Angstrom Resolution
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 6 of Rt Xfel Structure of Photosystem II 2000 Microseconds After the Third Illumination at 2.00 Angstrom Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
v:Fe201
b:32.5
occ:1.00
|
FE
|
v:HEC201
|
0.0
|
32.5
|
1.0
|
NB
|
v:HEC201
|
2.0
|
34.9
|
1.0
|
ND
|
v:HEC201
|
2.0
|
30.4
|
1.0
|
NC
|
v:HEC201
|
2.0
|
32.3
|
1.0
|
NA
|
v:HEC201
|
2.1
|
33.6
|
1.0
|
NE2
|
v:HIS41
|
2.1
|
33.6
|
1.0
|
NE2
|
v:HIS92
|
2.1
|
34.5
|
1.0
|
C1B
|
v:HEC201
|
3.0
|
31.7
|
1.0
|
CD2
|
v:HIS41
|
3.0
|
33.1
|
1.0
|
C4B
|
v:HEC201
|
3.0
|
33.5
|
1.0
|
C1D
|
v:HEC201
|
3.0
|
30.3
|
1.0
|
CE1
|
v:HIS92
|
3.1
|
29.7
|
1.0
|
C1C
|
v:HEC201
|
3.1
|
36.7
|
1.0
|
C4A
|
v:HEC201
|
3.1
|
30.3
|
1.0
|
C4C
|
v:HEC201
|
3.1
|
32.8
|
1.0
|
C4D
|
v:HEC201
|
3.1
|
35.6
|
1.0
|
C1A
|
v:HEC201
|
3.1
|
33.9
|
1.0
|
CE1
|
v:HIS41
|
3.1
|
33.8
|
1.0
|
CD2
|
v:HIS92
|
3.1
|
29.6
|
1.0
|
CHB
|
v:HEC201
|
3.4
|
33.8
|
1.0
|
CHD
|
v:HEC201
|
3.4
|
27.8
|
1.0
|
CHC
|
v:HEC201
|
3.4
|
34.3
|
1.0
|
CHA
|
v:HEC201
|
3.5
|
31.9
|
1.0
|
CG
|
v:HIS41
|
4.2
|
35.5
|
1.0
|
ND1
|
v:HIS92
|
4.2
|
34.2
|
1.0
|
ND1
|
v:HIS41
|
4.2
|
32.6
|
1.0
|
C2B
|
v:HEC201
|
4.2
|
35.5
|
1.0
|
C3B
|
v:HEC201
|
4.2
|
35.8
|
1.0
|
CG
|
v:HIS92
|
4.3
|
37.6
|
1.0
|
C2D
|
v:HEC201
|
4.3
|
32.4
|
1.0
|
C2C
|
v:HEC201
|
4.3
|
32.7
|
1.0
|
C3D
|
v:HEC201
|
4.3
|
30.2
|
1.0
|
C3C
|
v:HEC201
|
4.3
|
32.6
|
1.0
|
C3A
|
v:HEC201
|
4.3
|
36.4
|
1.0
|
C2A
|
v:HEC201
|
4.3
|
33.0
|
1.0
|
CE1
|
v:TYR75
|
4.9
|
35.1
|
1.0
|
|
Reference:
A.Bhowmick,
R.Hussein,
I.Bogacz,
P.S.Simon,
M.Ibrahim,
R.Chatterjee,
M.D.Doyle,
M.H.Cheah,
T.Fransson,
P.Chernev,
I.-S.Kim,
H.Makita,
M.Dasgupta,
C.J.Kaminsky,
M.Zhang,
J.Gatcke,
S.Haupt,
I.I.Nangca,
S.M.Keable,
O.Aydin,
K.Tono,
S.Owada,
L.B.Gee,
F.D.Fuller,
A.Batyuk,
R.Alonso-Mori,
J.M.Holton,
D.W.Paley,
N.W.Moriarty,
F.Mamedov,
P.D.Adams,
A.S.Brewster,
H.Dobbek,
N.K.Sauter,
U.Bergmann,
A.Zouni,
J.Messinger,
J.Kern,
J.Yano,
V.K.Yachandra.
Structural Evidence For Intermediates During O2 Formation in Photosystem II To Be Published.
Page generated: Sat Aug 10 02:30:40 2024
|