Iron in PDB 4ixr: Rt Fs X-Ray Diffraction of Photosystem II, First Illuminated State
Enzymatic activity of Rt Fs X-Ray Diffraction of Photosystem II, First Illuminated State
All present enzymatic activity of Rt Fs X-Ray Diffraction of Photosystem II, First Illuminated State:
1.10.3.9;
Protein crystallography data
The structure of Rt Fs X-Ray Diffraction of Photosystem II, First Illuminated State, PDB code: 4ixr
was solved by
J.Kern,
R.Alonso-Mori,
R.Tran,
J.Hattne,
R.J.Gildea,
N.Echols,
C.Gloeckner,
J.Hellmich,
H.Laksmono,
R.G.Sierra,
B.Lassalle-Kaiser,
S.Koroidov,
A.Lampe,
G.Han,
S.Gul,
D.Difiore,
D.Milathianaki,
A.R.Fry,
A.Miahnahri,
D.W.Schafer,
M.Messerschmidt,
M.M.Seibert,
J.E.Koglin,
D.Sokaras,
T.-C.Weng,
J.Sellberg,
M.J.Latimer,
R.W.Grosse-Kunstleve,
P.H.Zwart,
W.E.White,
P.Glatzel,
P.D.Adams,
M.J.Bogan,
G.J.Williams,
S.Boutet,
J.Messinger,
A.Zouni,
N.K.Sauter,
V.K.Yachandra,
U.Bergmann,
J.Yano,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
82.97 /
5.90
|
Space group
|
P 21 21 21
|
Cell size a, b, c (Å), α, β, γ (°)
|
131.976,
227.568,
306.994,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
28.5 /
31.3
|
Other elements in 4ixr:
The structure of Rt Fs X-Ray Diffraction of Photosystem II, First Illuminated State also contains other interesting chemical elements:
Iron Binding Sites:
The binding sites of Iron atom in the Rt Fs X-Ray Diffraction of Photosystem II, First Illuminated State
(pdb code 4ixr). 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 Fs X-Ray Diffraction of Photosystem II, First Illuminated State, PDB code: 4ixr:
Jump to Iron binding site number:
1;
2;
3;
4;
5;
6;
Iron binding site 1 out
of 6 in 4ixr
Go back to
Iron Binding Sites List in 4ixr
Iron binding site 1 out
of 6 in the Rt Fs X-Ray Diffraction of Photosystem II, First Illuminated State
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 1 of Rt Fs X-Ray Diffraction of Photosystem II, First Illuminated State within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe401
b:64.7
occ:1.00
|
NE2
|
A:HIS215
|
2.4
|
73.5
|
1.0
|
NE2
|
D:HIS214
|
2.5
|
73.9
|
1.0
|
NE2
|
A:HIS272
|
2.5
|
75.8
|
1.0
|
NE2
|
D:HIS268
|
2.6
|
71.7
|
1.0
|
O2
|
A:BCT402
|
2.6
|
85.2
|
1.0
|
O3
|
A:BCT402
|
2.7
|
90.7
|
1.0
|
C
|
A:BCT402
|
3.1
|
90.9
|
1.0
|
CD2
|
D:HIS214
|
3.1
|
72.9
|
1.0
|
CE1
|
A:HIS215
|
3.1
|
79.6
|
1.0
|
CD2
|
A:HIS215
|
3.2
|
70.6
|
1.0
|
CD2
|
A:HIS272
|
3.4
|
71.3
|
1.0
|
CE1
|
A:HIS272
|
3.4
|
79.8
|
1.0
|
CD2
|
D:HIS268
|
3.5
|
68.6
|
1.0
|
CE1
|
D:HIS268
|
3.6
|
73.3
|
1.0
|
CE1
|
D:HIS214
|
3.6
|
77.0
|
1.0
|
ND1
|
A:HIS215
|
4.1
|
81.1
|
1.0
|
CG
|
A:HIS215
|
4.1
|
72.9
|
1.0
|
O1
|
A:BCT402
|
4.3
|
94.4
|
1.0
|
CG
|
D:HIS214
|
4.4
|
76.5
|
1.0
|
ND1
|
A:HIS272
|
4.4
|
76.7
|
1.0
|
CG
|
A:HIS272
|
4.5
|
73.3
|
1.0
|
ND1
|
D:HIS214
|
4.6
|
76.1
|
1.0
|
ND1
|
D:HIS268
|
4.7
|
69.5
|
1.0
|
CG
|
D:HIS268
|
4.7
|
67.1
|
1.0
|
CG2
|
D:VAL218
|
4.9
|
71.6
|
1.0
|
CG2
|
A:VAL219
|
4.9
|
79.0
|
1.0
|
CD2
|
A:LEU275
|
5.0
|
71.3
|
1.0
|
|
Iron binding site 2 out
of 6 in 4ixr
Go back to
Iron Binding Sites List in 4ixr
Iron binding site 2 out
of 6 in the Rt Fs X-Ray Diffraction of Photosystem II, First Illuminated State
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 2 of Rt Fs X-Ray Diffraction of Photosystem II, First Illuminated State within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
F:Fe101
b:89.6
occ:1.00
|
FE
|
F:HEM101
|
0.0
|
89.6
|
1.0
|
NC
|
F:HEM101
|
2.0
|
96.8
|
1.0
|
NA
|
F:HEM101
|
2.1
|
0.2
|
1.0
|
NB
|
F:HEM101
|
2.1
|
0.4
|
1.0
|
ND
|
F:HEM101
|
2.1
|
0.5
|
1.0
|
NE2
|
F:HIS24
|
2.6
|
93.3
|
1.0
|
NE2
|
E:HIS23
|
2.7
|
0.7
|
1.0
|
CE1
|
F:HIS24
|
2.9
|
93.0
|
1.0
|
C4C
|
F:HEM101
|
3.1
|
96.4
|
1.0
|
C1A
|
F:HEM101
|
3.1
|
0.8
|
1.0
|
C4D
|
F:HEM101
|
3.1
|
0.9
|
1.0
|
C1C
|
F:HEM101
|
3.1
|
0.2
|
1.0
|
C1D
|
F:HEM101
|
3.1
|
99.5
|
1.0
|
C1B
|
F:HEM101
|
3.1
|
0.3
|
1.0
|
C4B
|
F:HEM101
|
3.1
|
0.6
|
1.0
|
C4A
|
F:HEM101
|
3.1
|
0.1
|
1.0
|
CD2
|
E:HIS23
|
3.3
|
0.9
|
1.0
|
CHA
|
F:HEM101
|
3.4
|
0.8
|
1.0
|
CHD
|
F:HEM101
|
3.4
|
96.3
|
1.0
|
CHC
|
F:HEM101
|
3.4
|
0.9
|
1.0
|
CHB
|
F:HEM101
|
3.5
|
0.9
|
1.0
|
CD2
|
F:HIS24
|
3.7
|
93.0
|
1.0
|
CE1
|
E:HIS23
|
3.8
|
0.2
|
1.0
|
ND1
|
F:HIS24
|
4.0
|
91.0
|
1.0
|
C3C
|
F:HEM101
|
4.3
|
97.7
|
1.0
|
C2A
|
F:HEM101
|
4.3
|
0.1
|
1.0
|
C2C
|
F:HEM101
|
4.3
|
98.7
|
1.0
|
C2B
|
F:HEM101
|
4.3
|
0.8
|
1.0
|
C3B
|
F:HEM101
|
4.3
|
0.2
|
1.0
|
C3D
|
F:HEM101
|
4.3
|
0.4
|
1.0
|
C3A
|
F:HEM101
|
4.3
|
0.4
|
1.0
|
C2D
|
F:HEM101
|
4.3
|
0.7
|
1.0
|
CG
|
F:HIS24
|
4.4
|
92.9
|
1.0
|
CG
|
E:HIS23
|
4.5
|
98.0
|
1.0
|
ND1
|
E:HIS23
|
4.7
|
96.8
|
1.0
|
NE1
|
F:TRP20
|
4.8
|
0.2
|
1.0
|
|
Iron binding site 3 out
of 6 in 4ixr
Go back to
Iron Binding Sites List in 4ixr
Iron binding site 3 out
of 6 in the Rt Fs X-Ray Diffraction of Photosystem II, First Illuminated State
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 3 of Rt Fs X-Ray Diffraction of Photosystem II, First Illuminated State within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
V:Fe201
b:58.6
occ:1.00
|
FE
|
V:HEM201
|
0.0
|
58.6
|
1.0
|
NC
|
V:HEM201
|
2.0
|
63.6
|
1.0
|
NB
|
V:HEM201
|
2.0
|
59.9
|
1.0
|
NA
|
V:HEM201
|
2.1
|
70.1
|
1.0
|
ND
|
V:HEM201
|
2.1
|
67.5
|
1.0
|
NE2
|
V:HIS67
|
2.4
|
53.4
|
1.0
|
NE2
|
V:HIS118
|
2.6
|
66.2
|
1.0
|
C1C
|
V:HEM201
|
3.0
|
64.9
|
1.0
|
C4C
|
V:HEM201
|
3.0
|
70.3
|
1.0
|
C4B
|
V:HEM201
|
3.1
|
59.6
|
1.0
|
C1B
|
V:HEM201
|
3.1
|
67.1
|
1.0
|
C1D
|
V:HEM201
|
3.1
|
71.3
|
1.0
|
C4A
|
V:HEM201
|
3.1
|
69.9
|
1.0
|
C1A
|
V:HEM201
|
3.1
|
72.8
|
1.0
|
C4D
|
V:HEM201
|
3.1
|
72.4
|
1.0
|
CD2
|
V:HIS67
|
3.2
|
61.0
|
1.0
|
CD2
|
V:HIS118
|
3.3
|
65.2
|
1.0
|
CHD
|
V:HEM201
|
3.4
|
72.0
|
1.0
|
CHC
|
V:HEM201
|
3.4
|
61.0
|
1.0
|
CE1
|
V:HIS118
|
3.5
|
65.9
|
1.0
|
CE1
|
V:HIS67
|
3.5
|
62.0
|
1.0
|
CHB
|
V:HEM201
|
3.5
|
70.0
|
1.0
|
CHA
|
V:HEM201
|
3.5
|
73.4
|
1.0
|
C2C
|
V:HEM201
|
4.3
|
72.7
|
1.0
|
C3C
|
V:HEM201
|
4.3
|
74.1
|
1.0
|
C3B
|
V:HEM201
|
4.3
|
65.5
|
1.0
|
C2B
|
V:HEM201
|
4.3
|
70.9
|
1.0
|
C2D
|
V:HEM201
|
4.3
|
74.8
|
1.0
|
C3A
|
V:HEM201
|
4.3
|
70.3
|
1.0
|
C2A
|
V:HEM201
|
4.3
|
72.2
|
1.0
|
C3D
|
V:HEM201
|
4.4
|
73.6
|
1.0
|
CG
|
V:HIS67
|
4.4
|
63.3
|
1.0
|
CG
|
V:HIS118
|
4.4
|
61.1
|
1.0
|
ND1
|
V:HIS118
|
4.4
|
60.8
|
1.0
|
ND1
|
V:HIS67
|
4.5
|
60.8
|
1.0
|
CE1
|
V:TYR101
|
5.0
|
68.7
|
1.0
|
|
Iron binding site 4 out
of 6 in 4ixr
Go back to
Iron Binding Sites List in 4ixr
Iron binding site 4 out
of 6 in the Rt Fs X-Ray Diffraction of Photosystem II, First Illuminated State
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 4 of Rt Fs X-Ray Diffraction of Photosystem II, First Illuminated State within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
a:Fe403
b:72.3
occ:1.00
|
NE2
|
a:HIS215
|
2.4
|
70.5
|
1.0
|
NE2
|
d:HIS214
|
2.5
|
74.7
|
1.0
|
NE2
|
d:HIS268
|
2.5
|
72.3
|
1.0
|
O2
|
d:BCT401
|
2.6
|
87.0
|
1.0
|
NE2
|
a:HIS272
|
2.6
|
80.8
|
1.0
|
O3
|
d:BCT401
|
2.7
|
92.8
|
1.0
|
C
|
d:BCT401
|
3.1
|
91.7
|
1.0
|
CD2
|
d:HIS214
|
3.2
|
76.3
|
1.0
|
CD2
|
a:HIS215
|
3.2
|
69.4
|
1.0
|
CE1
|
a:HIS215
|
3.2
|
76.6
|
1.0
|
CE1
|
a:HIS272
|
3.4
|
83.3
|
1.0
|
CD2
|
d:HIS268
|
3.5
|
71.8
|
1.0
|
CD2
|
a:HIS272
|
3.5
|
73.7
|
1.0
|
CE1
|
d:HIS268
|
3.5
|
73.6
|
1.0
|
CE1
|
d:HIS214
|
3.6
|
78.3
|
1.0
|
O1
|
d:BCT401
|
4.2
|
95.0
|
1.0
|
ND1
|
a:HIS215
|
4.2
|
76.8
|
1.0
|
CG
|
a:HIS215
|
4.2
|
72.7
|
1.0
|
CG
|
d:HIS214
|
4.5
|
78.7
|
1.0
|
ND1
|
a:HIS272
|
4.5
|
81.9
|
1.0
|
CG
|
a:HIS272
|
4.6
|
75.3
|
1.0
|
ND1
|
d:HIS268
|
4.6
|
73.1
|
1.0
|
ND1
|
d:HIS214
|
4.6
|
80.2
|
1.0
|
CG
|
d:HIS268
|
4.6
|
72.8
|
1.0
|
CG2
|
a:VAL219
|
4.9
|
81.2
|
1.0
|
OH
|
d:TYR244
|
4.9
|
95.4
|
1.0
|
|
Iron binding site 5 out
of 6 in 4ixr
Go back to
Iron Binding Sites List in 4ixr
Iron binding site 5 out
of 6 in the Rt Fs X-Ray Diffraction of Photosystem II, First Illuminated State
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 5 of Rt Fs X-Ray Diffraction of Photosystem II, First Illuminated State within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
f:Fe101
b:0.2
occ:1.00
|
FE
|
f:HEM101
|
0.0
|
0.2
|
1.0
|
NC
|
f:HEM101
|
2.0
|
97.3
|
1.0
|
NB
|
f:HEM101
|
2.1
|
0.1
|
1.0
|
NA
|
f:HEM101
|
2.1
|
0.5
|
1.0
|
ND
|
f:HEM101
|
2.1
|
0.4
|
1.0
|
NE2
|
e:HIS23
|
2.7
|
1.0
|
1.0
|
NE2
|
f:HIS24
|
2.7
|
99.2
|
1.0
|
CE1
|
f:HIS24
|
3.0
|
96.2
|
1.0
|
C4C
|
f:HEM101
|
3.1
|
98.0
|
1.0
|
C1C
|
f:HEM101
|
3.1
|
98.2
|
1.0
|
C1A
|
f:HEM101
|
3.1
|
0.8
|
1.0
|
C4B
|
f:HEM101
|
3.1
|
0.8
|
1.0
|
C1B
|
f:HEM101
|
3.1
|
0.6
|
1.0
|
C4D
|
f:HEM101
|
3.1
|
0.1
|
1.0
|
C4A
|
f:HEM101
|
3.1
|
0.2
|
1.0
|
C1D
|
f:HEM101
|
3.1
|
0.9
|
1.0
|
CD2
|
e:HIS23
|
3.3
|
1.0
|
1.0
|
CHC
|
f:HEM101
|
3.4
|
0.0
|
1.0
|
CHD
|
f:HEM101
|
3.4
|
98.8
|
1.0
|
CHA
|
f:HEM101
|
3.5
|
0.0
|
1.0
|
CHB
|
f:HEM101
|
3.5
|
0.5
|
1.0
|
CE1
|
e:HIS23
|
3.8
|
0.3
|
1.0
|
CD2
|
f:HIS24
|
3.8
|
97.2
|
1.0
|
ND1
|
f:HIS24
|
4.1
|
89.9
|
1.0
|
C3C
|
f:HEM101
|
4.3
|
98.3
|
1.0
|
C2C
|
f:HEM101
|
4.3
|
96.8
|
1.0
|
C2B
|
f:HEM101
|
4.3
|
0.5
|
1.0
|
C2A
|
f:HEM101
|
4.3
|
0.1
|
1.0
|
C3B
|
f:HEM101
|
4.3
|
0.0
|
1.0
|
C3A
|
f:HEM101
|
4.3
|
0.8
|
1.0
|
C3D
|
f:HEM101
|
4.4
|
0.6
|
1.0
|
C2D
|
f:HEM101
|
4.4
|
98.0
|
1.0
|
CG
|
e:HIS23
|
4.5
|
0.3
|
1.0
|
CG
|
f:HIS24
|
4.5
|
94.5
|
1.0
|
ND1
|
e:HIS23
|
4.7
|
0.7
|
1.0
|
NE1
|
f:TRP20
|
4.8
|
0.5
|
1.0
|
|
Iron binding site 6 out
of 6 in 4ixr
Go back to
Iron Binding Sites List in 4ixr
Iron binding site 6 out
of 6 in the Rt Fs X-Ray Diffraction of Photosystem II, First Illuminated State
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 6 of Rt Fs X-Ray Diffraction of Photosystem II, First Illuminated State within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
v:Fe201
b:66.4
occ:1.00
|
FE
|
v:HEM201
|
0.0
|
66.4
|
1.0
|
NC
|
v:HEM201
|
2.1
|
65.0
|
1.0
|
NB
|
v:HEM201
|
2.1
|
68.1
|
1.0
|
ND
|
v:HEM201
|
2.1
|
69.0
|
1.0
|
NA
|
v:HEM201
|
2.1
|
69.2
|
1.0
|
NE2
|
v:HIS67
|
2.5
|
59.2
|
1.0
|
NE2
|
v:HIS118
|
2.7
|
68.1
|
1.0
|
C4B
|
v:HEM201
|
3.1
|
65.9
|
1.0
|
C1C
|
v:HEM201
|
3.1
|
64.9
|
1.0
|
C1D
|
v:HEM201
|
3.1
|
68.6
|
1.0
|
C4D
|
v:HEM201
|
3.1
|
71.5
|
1.0
|
C4C
|
v:HEM201
|
3.1
|
67.1
|
1.0
|
C1A
|
v:HEM201
|
3.1
|
68.7
|
1.0
|
C1B
|
v:HEM201
|
3.1
|
73.2
|
1.0
|
C4A
|
v:HEM201
|
3.2
|
67.9
|
1.0
|
CD2
|
v:HIS67
|
3.3
|
66.7
|
1.0
|
CD2
|
v:HIS118
|
3.4
|
68.4
|
1.0
|
CHC
|
v:HEM201
|
3.4
|
64.1
|
1.0
|
CHD
|
v:HEM201
|
3.4
|
67.0
|
1.0
|
CHA
|
v:HEM201
|
3.4
|
69.9
|
1.0
|
CHB
|
v:HEM201
|
3.5
|
72.5
|
1.0
|
CE1
|
v:HIS118
|
3.6
|
67.2
|
1.0
|
CE1
|
v:HIS67
|
3.6
|
66.0
|
1.0
|
C2C
|
v:HEM201
|
4.3
|
67.5
|
1.0
|
C3B
|
v:HEM201
|
4.3
|
69.4
|
1.0
|
C3C
|
v:HEM201
|
4.3
|
68.5
|
1.0
|
C2D
|
v:HEM201
|
4.3
|
72.0
|
1.0
|
C3D
|
v:HEM201
|
4.3
|
75.4
|
1.0
|
C2B
|
v:HEM201
|
4.3
|
75.5
|
1.0
|
C2A
|
v:HEM201
|
4.4
|
66.4
|
1.0
|
C3A
|
v:HEM201
|
4.4
|
63.4
|
1.0
|
CG
|
v:HIS118
|
4.4
|
65.7
|
1.0
|
CG
|
v:HIS67
|
4.5
|
67.6
|
1.0
|
ND1
|
v:HIS118
|
4.5
|
63.5
|
1.0
|
ND1
|
v:HIS67
|
4.6
|
65.0
|
1.0
|
CE1
|
v:TYR101
|
4.9
|
70.9
|
1.0
|
|
Reference:
J.Kern,
R.Alonso-Mori,
R.Tran,
J.Hattne,
R.J.Gildea,
N.Echols,
C.Glockner,
J.Hellmich,
H.Laksmono,
R.G.Sierra,
B.Lassalle-Kaiser,
S.Koroidov,
A.Lampe,
G.Han,
S.Gul,
D.Difiore,
D.Milathianaki,
A.R.Fry,
A.Miahnahri,
D.W.Schafer,
M.Messerschmidt,
M.M.Seibert,
J.E.Koglin,
D.Sokaras,
T.C.Weng,
J.Sellberg,
M.J.Latimer,
R.W.Grosse-Kunstleve,
P.H.Zwart,
W.E.White,
P.Glatzel,
P.D.Adams,
M.J.Bogan,
G.J.Williams,
S.Boutet,
J.Messinger,
A.Zouni,
N.K.Sauter,
V.K.Yachandra,
U.Bergmann,
J.Yano.
Simultaneous Femtosecond X-Ray Spectroscopy and Diffraction of Photosystem II at Room Temperature. Science V. 340 491 2013.
ISSN: ISSN 0036-8075
PubMed: 23413188
DOI: 10.1126/SCIENCE.1234273
Page generated: Mon Aug 5 04:34:39 2024
|