Iron in PDB 8f4c: Rt Xfel Structure of the Two-Flash State of Photosystem II (2F, S3- Rich) at 2.00 Angstrom Resolution
Enzymatic activity of Rt Xfel Structure of the Two-Flash State of Photosystem II (2F, S3- Rich) at 2.00 Angstrom Resolution
All present enzymatic activity of Rt Xfel Structure of the Two-Flash State of Photosystem II (2F, S3- Rich) at 2.00 Angstrom Resolution:
1.10.3.9;
Protein crystallography data
The structure of Rt Xfel Structure of the Two-Flash State of Photosystem II (2F, S3- Rich) at 2.00 Angstrom Resolution, PDB code: 8f4c
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)
|
19.80 /
2.00
|
Space group
|
P 21 21 21
|
Cell size a, b, c (Å), α, β, γ (°)
|
117.328,
222.786,
309.116,
90,
90,
90
|
R / Rfree (%)
|
18 /
22.4
|
Other elements in 8f4c:
The structure of Rt Xfel Structure of the Two-Flash State of Photosystem II (2F, S3- Rich) 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 the Two-Flash State of Photosystem II (2F, S3- Rich) at 2.00 Angstrom Resolution
(pdb code 8f4c). 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 the Two-Flash State of Photosystem II (2F, S3- Rich) at 2.00 Angstrom Resolution, PDB code: 8f4c:
Jump to Iron binding site number:
1;
2;
3;
4;
5;
6;
Iron binding site 1 out
of 6 in 8f4c
Go back to
Iron Binding Sites List in 8f4c
Iron binding site 1 out
of 6 in the Rt Xfel Structure of the Two-Flash State of Photosystem II (2F, S3- Rich) 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 the Two-Flash State of Photosystem II (2F, S3- Rich) at 2.00 Angstrom Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe603
b:27.5
occ:1.00
|
NE2
|
A:HIS215
|
2.1
|
29.4
|
1.0
|
O2
|
D:BCT401
|
2.1
|
32.8
|
1.0
|
O1
|
D:BCT401
|
2.2
|
29.4
|
1.0
|
NE2
|
D:HIS214
|
2.2
|
30.4
|
1.0
|
NE2
|
D:HIS268
|
2.3
|
30.2
|
1.0
|
NE2
|
A:HIS272
|
2.3
|
30.1
|
1.0
|
C
|
D:BCT401
|
2.4
|
34.9
|
1.0
|
CE1
|
D:HIS214
|
3.0
|
29.2
|
1.0
|
CE1
|
A:HIS215
|
3.1
|
28.4
|
1.0
|
CD2
|
A:HIS215
|
3.2
|
29.6
|
1.0
|
CE1
|
A:HIS272
|
3.2
|
27.6
|
1.0
|
CE1
|
D:HIS268
|
3.2
|
27.4
|
1.0
|
CD2
|
D:HIS268
|
3.3
|
29.2
|
1.0
|
CD2
|
A:HIS272
|
3.3
|
29.7
|
1.0
|
CD2
|
D:HIS214
|
3.3
|
23.9
|
1.0
|
O3
|
D:BCT401
|
3.8
|
35.4
|
1.0
|
ND1
|
A:HIS215
|
4.2
|
25.5
|
1.0
|
ND1
|
D:HIS214
|
4.2
|
28.3
|
1.0
|
CG
|
A:HIS215
|
4.3
|
26.3
|
1.0
|
ND1
|
D:HIS268
|
4.3
|
26.3
|
1.0
|
ND1
|
A:HIS272
|
4.3
|
28.0
|
1.0
|
CG
|
D:HIS214
|
4.4
|
28.1
|
1.0
|
CG
|
D:HIS268
|
4.4
|
28.8
|
1.0
|
CG
|
A:HIS272
|
4.4
|
31.5
|
1.0
|
CG2
|
A:VAL219
|
4.8
|
29.7
|
1.0
|
OH
|
D:TYR244
|
4.9
|
32.5
|
1.0
|
CG2
|
D:VAL218
|
4.9
|
25.4
|
1.0
|
|
Iron binding site 2 out
of 6 in 8f4c
Go back to
Iron Binding Sites List in 8f4c
Iron binding site 2 out
of 6 in the Rt Xfel Structure of the Two-Flash State of Photosystem II (2F, S3- Rich) 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 the Two-Flash State of Photosystem II (2F, S3- Rich) at 2.00 Angstrom Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
F:Fe101
b:47.2
occ:1.00
|
FE
|
F:HEM101
|
0.0
|
47.2
|
1.0
|
ND
|
F:HEM101
|
2.0
|
42.5
|
1.0
|
NC
|
F:HEM101
|
2.0
|
44.2
|
1.0
|
NB
|
F:HEM101
|
2.1
|
39.5
|
1.0
|
NE2
|
E:HIS23
|
2.1
|
46.1
|
1.0
|
NA
|
F:HEM101
|
2.1
|
45.6
|
1.0
|
NE2
|
F:HIS24
|
2.1
|
43.3
|
1.0
|
CD2
|
F:HIS24
|
2.9
|
40.8
|
1.0
|
C4D
|
F:HEM101
|
3.0
|
45.9
|
1.0
|
C1D
|
F:HEM101
|
3.0
|
44.2
|
1.0
|
CE1
|
E:HIS23
|
3.0
|
49.8
|
1.0
|
C1A
|
F:HEM101
|
3.0
|
47.8
|
1.0
|
C1C
|
F:HEM101
|
3.0
|
40.5
|
1.0
|
C4B
|
F:HEM101
|
3.0
|
41.3
|
1.0
|
C4C
|
F:HEM101
|
3.0
|
42.7
|
1.0
|
CD2
|
E:HIS23
|
3.1
|
46.9
|
1.0
|
C1B
|
F:HEM101
|
3.1
|
46.1
|
1.0
|
C4A
|
F:HEM101
|
3.1
|
42.7
|
1.0
|
CE1
|
F:HIS24
|
3.3
|
44.2
|
1.0
|
CHA
|
F:HEM101
|
3.4
|
44.7
|
1.0
|
CHD
|
F:HEM101
|
3.4
|
41.4
|
1.0
|
CHC
|
F:HEM101
|
3.4
|
41.2
|
1.0
|
CHB
|
F:HEM101
|
3.5
|
44.3
|
1.0
|
CG
|
F:HIS24
|
4.1
|
42.6
|
1.0
|
ND1
|
E:HIS23
|
4.1
|
49.8
|
1.0
|
C3D
|
F:HEM101
|
4.2
|
45.2
|
1.0
|
C2D
|
F:HEM101
|
4.2
|
43.8
|
1.0
|
CG
|
E:HIS23
|
4.2
|
50.4
|
1.0
|
C2A
|
F:HEM101
|
4.2
|
49.1
|
1.0
|
ND1
|
F:HIS24
|
4.2
|
45.3
|
1.0
|
C2C
|
F:HEM101
|
4.2
|
44.9
|
1.0
|
C3C
|
F:HEM101
|
4.3
|
39.8
|
1.0
|
C3B
|
F:HEM101
|
4.3
|
43.7
|
1.0
|
C3A
|
F:HEM101
|
4.3
|
48.3
|
1.0
|
C2B
|
F:HEM101
|
4.3
|
43.7
|
1.0
|
CD1
|
E:ILE22
|
4.5
|
49.3
|
0.1
|
NE1
|
F:TRP20
|
4.8
|
44.9
|
1.0
|
|
Iron binding site 3 out
of 6 in 8f4c
Go back to
Iron Binding Sites List in 8f4c
Iron binding site 3 out
of 6 in the Rt Xfel Structure of the Two-Flash State of Photosystem II (2F, S3- Rich) 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 the Two-Flash State of Photosystem II (2F, S3- Rich) at 2.00 Angstrom Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
V:Fe201
b:31.6
occ:1.00
|
FE
|
V:HEC201
|
0.0
|
31.6
|
1.0
|
NA
|
V:HEC201
|
2.0
|
28.1
|
1.0
|
NB
|
V:HEC201
|
2.0
|
29.1
|
1.0
|
NC
|
V:HEC201
|
2.1
|
28.7
|
1.0
|
ND
|
V:HEC201
|
2.1
|
29.7
|
1.0
|
NE2
|
V:HIS92
|
2.1
|
34.3
|
1.0
|
NE2
|
V:HIS41
|
2.1
|
30.9
|
1.0
|
CD2
|
V:HIS41
|
3.0
|
27.1
|
1.0
|
C4A
|
V:HEC201
|
3.0
|
31.3
|
1.0
|
C1B
|
V:HEC201
|
3.0
|
28.9
|
1.0
|
CD2
|
V:HIS92
|
3.0
|
33.8
|
1.0
|
C1A
|
V:HEC201
|
3.0
|
32.6
|
1.0
|
CE1
|
V:HIS92
|
3.0
|
28.8
|
1.0
|
C4C
|
V:HEC201
|
3.1
|
27.9
|
1.0
|
C1D
|
V:HEC201
|
3.1
|
28.7
|
1.0
|
C4D
|
V:HEC201
|
3.1
|
33.5
|
1.0
|
C1C
|
V:HEC201
|
3.1
|
31.5
|
1.0
|
C4B
|
V:HEC201
|
3.1
|
28.9
|
1.0
|
CE1
|
V:HIS41
|
3.2
|
30.0
|
1.0
|
CHB
|
V:HEC201
|
3.4
|
31.6
|
1.0
|
CHD
|
V:HEC201
|
3.4
|
25.5
|
1.0
|
CHA
|
V:HEC201
|
3.4
|
29.1
|
1.0
|
CHC
|
V:HEC201
|
3.5
|
27.4
|
1.0
|
ND1
|
V:HIS92
|
4.1
|
30.4
|
1.0
|
CG
|
V:HIS92
|
4.1
|
35.2
|
1.0
|
CG
|
V:HIS41
|
4.2
|
30.9
|
1.0
|
C3A
|
V:HEC201
|
4.2
|
30.6
|
1.0
|
C2A
|
V:HEC201
|
4.2
|
30.2
|
1.0
|
ND1
|
V:HIS41
|
4.2
|
32.6
|
1.0
|
C2B
|
V:HEC201
|
4.3
|
31.8
|
1.0
|
C3C
|
V:HEC201
|
4.3
|
29.8
|
1.0
|
C3D
|
V:HEC201
|
4.3
|
27.3
|
1.0
|
C3B
|
V:HEC201
|
4.3
|
28.0
|
1.0
|
C2C
|
V:HEC201
|
4.3
|
30.2
|
1.0
|
C2D
|
V:HEC201
|
4.3
|
25.9
|
1.0
|
CE1
|
V:TYR75
|
4.9
|
30.4
|
1.0
|
|
Iron binding site 4 out
of 6 in 8f4c
Go back to
Iron Binding Sites List in 8f4c
Iron binding site 4 out
of 6 in the Rt Xfel Structure of the Two-Flash State of Photosystem II (2F, S3- Rich) 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 the Two-Flash State of Photosystem II (2F, S3- Rich) at 2.00 Angstrom Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
a:Fe603
b:33.8
occ:1.00
|
NE2
|
a:HIS215
|
2.1
|
31.6
|
1.0
|
O1
|
a:BCT606
|
2.2
|
35.4
|
1.0
|
NE2
|
d:HIS214
|
2.2
|
31.0
|
1.0
|
O2
|
a:BCT606
|
2.2
|
32.3
|
1.0
|
NE2
|
d:HIS268
|
2.3
|
36.7
|
1.0
|
NE2
|
a:HIS272
|
2.3
|
39.1
|
1.0
|
C
|
a:BCT606
|
2.4
|
39.5
|
1.0
|
CE1
|
a:HIS215
|
3.0
|
35.0
|
1.0
|
CE1
|
a:HIS272
|
3.1
|
35.4
|
1.0
|
CE1
|
d:HIS214
|
3.1
|
30.5
|
1.0
|
CE1
|
d:HIS268
|
3.2
|
33.4
|
1.0
|
CD2
|
a:HIS215
|
3.2
|
33.1
|
1.0
|
CD2
|
d:HIS214
|
3.2
|
29.3
|
1.0
|
CD2
|
d:HIS268
|
3.3
|
29.3
|
1.0
|
CD2
|
a:HIS272
|
3.4
|
28.5
|
1.0
|
O3
|
a:BCT606
|
3.9
|
44.3
|
1.0
|
ND1
|
a:HIS215
|
4.2
|
33.0
|
1.0
|
ND1
|
a:HIS272
|
4.3
|
36.3
|
1.0
|
CG
|
a:HIS215
|
4.3
|
27.5
|
1.0
|
ND1
|
d:HIS214
|
4.3
|
32.0
|
1.0
|
ND1
|
d:HIS268
|
4.3
|
35.2
|
1.0
|
CG
|
d:HIS214
|
4.3
|
29.5
|
1.0
|
CG
|
d:HIS268
|
4.4
|
33.1
|
1.0
|
CG
|
a:HIS272
|
4.4
|
35.5
|
1.0
|
CG2
|
a:VAL219
|
4.7
|
35.6
|
1.0
|
|
Iron binding site 5 out
of 6 in 8f4c
Go back to
Iron Binding Sites List in 8f4c
Iron binding site 5 out
of 6 in the Rt Xfel Structure of the Two-Flash State of Photosystem II (2F, S3- Rich) 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 the Two-Flash State of Photosystem II (2F, S3- Rich) at 2.00 Angstrom Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
f:Fe101
b:53.2
occ:1.00
|
FE
|
f:HEM101
|
0.0
|
53.2
|
1.0
|
NC
|
f:HEM101
|
2.0
|
47.3
|
1.0
|
ND
|
f:HEM101
|
2.0
|
49.6
|
1.0
|
NB
|
f:HEM101
|
2.1
|
50.8
|
1.0
|
NE2
|
e:HIS23
|
2.1
|
55.4
|
1.0
|
NE2
|
f:HIS24
|
2.1
|
52.9
|
1.0
|
NA
|
f:HEM101
|
2.1
|
52.0
|
1.0
|
C4C
|
f:HEM101
|
2.9
|
46.6
|
1.0
|
C1D
|
f:HEM101
|
3.0
|
51.3
|
1.0
|
CD2
|
e:HIS23
|
3.0
|
55.3
|
1.0
|
C1C
|
f:HEM101
|
3.0
|
49.6
|
1.0
|
C4D
|
f:HEM101
|
3.0
|
51.8
|
1.0
|
CE1
|
f:HIS24
|
3.1
|
47.8
|
1.0
|
C4B
|
f:HEM101
|
3.1
|
53.7
|
1.0
|
C1A
|
f:HEM101
|
3.1
|
55.3
|
1.0
|
C1B
|
f:HEM101
|
3.1
|
52.5
|
1.0
|
CD2
|
f:HIS24
|
3.1
|
49.2
|
1.0
|
C4A
|
f:HEM101
|
3.1
|
52.5
|
1.0
|
CE1
|
e:HIS23
|
3.2
|
56.9
|
1.0
|
CHD
|
f:HEM101
|
3.3
|
50.6
|
1.0
|
CHC
|
f:HEM101
|
3.4
|
52.9
|
1.0
|
CHA
|
f:HEM101
|
3.5
|
53.6
|
1.0
|
CHB
|
f:HEM101
|
3.5
|
56.1
|
1.0
|
C2D
|
f:HEM101
|
4.1
|
50.4
|
1.0
|
C3D
|
f:HEM101
|
4.2
|
53.3
|
1.0
|
CG
|
e:HIS23
|
4.2
|
58.7
|
1.0
|
ND1
|
f:HIS24
|
4.2
|
51.3
|
1.0
|
C3C
|
f:HEM101
|
4.2
|
49.3
|
1.0
|
ND1
|
e:HIS23
|
4.2
|
58.2
|
1.0
|
C2C
|
f:HEM101
|
4.2
|
50.8
|
1.0
|
CG
|
f:HIS24
|
4.2
|
53.0
|
1.0
|
C2A
|
f:HEM101
|
4.3
|
57.2
|
1.0
|
C2B
|
f:HEM101
|
4.3
|
55.2
|
1.0
|
C3B
|
f:HEM101
|
4.3
|
53.0
|
1.0
|
C3A
|
f:HEM101
|
4.3
|
60.0
|
1.0
|
NE1
|
f:TRP20
|
4.9
|
52.7
|
1.0
|
CE1
|
e:TYR19
|
5.0
|
59.2
|
1.0
|
|
Iron binding site 6 out
of 6 in 8f4c
Go back to
Iron Binding Sites List in 8f4c
Iron binding site 6 out
of 6 in the Rt Xfel Structure of the Two-Flash State of Photosystem II (2F, S3- Rich) 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 the Two-Flash State of Photosystem II (2F, S3- Rich) at 2.00 Angstrom Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
v:Fe201
b:34.7
occ:1.00
|
FE
|
v:HEC201
|
0.0
|
34.7
|
1.0
|
ND
|
v:HEC201
|
2.0
|
33.0
|
1.0
|
NB
|
v:HEC201
|
2.0
|
30.6
|
1.0
|
NC
|
v:HEC201
|
2.0
|
35.3
|
1.0
|
NE2
|
v:HIS41
|
2.1
|
32.9
|
1.0
|
NE2
|
v:HIS92
|
2.1
|
37.0
|
1.0
|
NA
|
v:HEC201
|
2.1
|
34.3
|
1.0
|
CD2
|
v:HIS92
|
2.9
|
31.9
|
1.0
|
C1D
|
v:HEC201
|
3.0
|
31.4
|
1.0
|
CE1
|
v:HIS41
|
3.0
|
33.3
|
1.0
|
C4C
|
v:HEC201
|
3.0
|
33.1
|
1.0
|
C1B
|
v:HEC201
|
3.0
|
33.9
|
1.0
|
C4D
|
v:HEC201
|
3.0
|
33.4
|
1.0
|
C4B
|
v:HEC201
|
3.1
|
32.1
|
1.0
|
CD2
|
v:HIS41
|
3.1
|
30.6
|
1.0
|
C1C
|
v:HEC201
|
3.1
|
32.8
|
1.0
|
C4A
|
v:HEC201
|
3.1
|
32.2
|
1.0
|
C1A
|
v:HEC201
|
3.1
|
32.0
|
1.0
|
CE1
|
v:HIS92
|
3.2
|
31.7
|
1.0
|
CHD
|
v:HEC201
|
3.3
|
29.6
|
1.0
|
CHB
|
v:HEC201
|
3.4
|
34.9
|
1.0
|
CHC
|
v:HEC201
|
3.5
|
33.9
|
1.0
|
CHA
|
v:HEC201
|
3.5
|
31.8
|
1.0
|
ND1
|
v:HIS41
|
4.1
|
33.2
|
1.0
|
CG
|
v:HIS92
|
4.1
|
37.4
|
1.0
|
CG
|
v:HIS41
|
4.2
|
34.5
|
1.0
|
C2D
|
v:HEC201
|
4.2
|
30.0
|
1.0
|
ND1
|
v:HIS92
|
4.2
|
37.5
|
1.0
|
C3D
|
v:HEC201
|
4.2
|
32.6
|
1.0
|
C3C
|
v:HEC201
|
4.3
|
33.5
|
1.0
|
C2B
|
v:HEC201
|
4.3
|
35.1
|
1.0
|
C2C
|
v:HEC201
|
4.3
|
34.9
|
1.0
|
C3B
|
v:HEC201
|
4.3
|
31.3
|
1.0
|
C3A
|
v:HEC201
|
4.4
|
37.0
|
1.0
|
C2A
|
v:HEC201
|
4.4
|
30.7
|
1.0
|
CE1
|
v:TYR75
|
4.9
|
34.5
|
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 02:29:37 2024
|