Iron in PDB 4fby: Fs X-Ray Diffraction of Photosystem II
Enzymatic activity of Fs X-Ray Diffraction of Photosystem II
All present enzymatic activity of Fs X-Ray Diffraction of Photosystem II:
1.10.3.9;
Protein crystallography data
The structure of Fs X-Ray Diffraction of Photosystem II, PDB code: 4fby
was solved by
J.Kern,
R.Alonso-Mori,
J.Hellmich,
R.Tran,
J.Hattne,
H.Laksmono,
C.Gloeckner,
N.Echols,
R.G.Sierra,
J.Sellberg,
B.Lassalle-Kaiser,
R.J.Gildea,
P.Glatzel,
R.W.Grosse-Kunstleve,
M.J.Latimer,
T.A.Mcqueen,
D.Difiore,
A.R.Fry,
M.M.Messerschmidt,
A.Miahnahri,
D.W.Schafer,
M.M.Seibert,
D.Sokaras,
T.-C.Weng,
P.H.Zwart,
W.E.White,
P.D.Adams,
M.J.Bogan,
S.Boutet,
G.J.Williams,
J.Messinger,
N.K.Sauter,
A.Zouni,
U.Bergmann,
J.Yano,
V.K.Yachandra,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
85.89 /
6.56
|
Space group
|
P 21 21 21
|
Cell size a, b, c (Å), α, β, γ (°)
|
130.783,
227.764,
308.630,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
36.6 /
38.5
|
Other elements in 4fby:
The structure of Fs X-Ray Diffraction of Photosystem II also contains other interesting chemical elements:
Iron Binding Sites:
The binding sites of Iron atom in the Fs X-Ray Diffraction of Photosystem II
(pdb code 4fby). This binding sites where shown within
5.0 Angstroms radius around Iron atom.
In total 6 binding sites of Iron where determined in the
Fs X-Ray Diffraction of Photosystem II, PDB code: 4fby:
Jump to Iron binding site number:
1;
2;
3;
4;
5;
6;
Iron binding site 1 out
of 6 in 4fby
Go back to
Iron Binding Sites List in 4fby
Iron binding site 1 out
of 6 in the Fs X-Ray Diffraction of Photosystem II
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 1 of Fs X-Ray Diffraction of Photosystem II within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe413
b:0.3
occ:1.00
|
NE2
|
A:HIS215
|
2.4
|
0.6
|
1.0
|
NE2
|
D:HIS214
|
2.5
|
0.6
|
1.0
|
NE2
|
A:HIS272
|
2.5
|
0.4
|
1.0
|
O3
|
D:BCT410
|
2.5
|
0.8
|
1.0
|
O2
|
D:BCT410
|
2.6
|
0.6
|
1.0
|
NE2
|
D:HIS268
|
2.6
|
0.3
|
1.0
|
C
|
D:BCT410
|
2.9
|
0.9
|
1.0
|
CD2
|
D:HIS214
|
3.2
|
0.5
|
1.0
|
CE1
|
A:HIS215
|
3.2
|
0.9
|
1.0
|
CD2
|
A:HIS215
|
3.4
|
1.0
|
1.0
|
CE1
|
A:HIS272
|
3.4
|
1.0
|
1.0
|
CD2
|
A:HIS272
|
3.4
|
0.5
|
1.0
|
CE1
|
D:HIS268
|
3.5
|
0.3
|
1.0
|
CD2
|
D:HIS268
|
3.6
|
0.5
|
1.0
|
CE1
|
D:HIS214
|
3.6
|
0.4
|
1.0
|
O1
|
D:BCT410
|
4.1
|
0.3
|
1.0
|
ND1
|
A:HIS215
|
4.2
|
0.2
|
1.0
|
CG
|
A:HIS215
|
4.3
|
0.2
|
1.0
|
CG
|
D:HIS214
|
4.4
|
0.9
|
1.0
|
ND1
|
A:HIS272
|
4.5
|
0.5
|
1.0
|
CG
|
A:HIS272
|
4.5
|
0.5
|
1.0
|
ND1
|
D:HIS214
|
4.6
|
0.6
|
1.0
|
ND1
|
D:HIS268
|
4.6
|
0.2
|
1.0
|
CG
|
D:HIS268
|
4.7
|
0.6
|
1.0
|
OH
|
D:TYR244
|
4.8
|
0.5
|
1.0
|
CG2
|
D:VAL218
|
4.9
|
0.1
|
1.0
|
CG2
|
A:VAL219
|
5.0
|
0.1
|
1.0
|
|
Iron binding site 2 out
of 6 in 4fby
Go back to
Iron Binding Sites List in 4fby
Iron binding site 2 out
of 6 in the Fs X-Ray Diffraction of Photosystem II
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 2 of Fs X-Ray Diffraction of Photosystem II within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Fe101
b:0.1
occ:1.00
|
FE
|
E:HEM101
|
0.0
|
0.1
|
1.0
|
NC
|
E:HEM101
|
2.0
|
0.6
|
1.0
|
NB
|
E:HEM101
|
2.1
|
1.0
|
1.0
|
NA
|
E:HEM101
|
2.1
|
0.4
|
1.0
|
ND
|
E:HEM101
|
2.1
|
0.6
|
1.0
|
NE2
|
E:HIS23
|
2.5
|
0.0
|
1.0
|
NE2
|
F:HIS24
|
2.5
|
0.9
|
1.0
|
C4C
|
E:HEM101
|
3.0
|
0.7
|
1.0
|
C1C
|
E:HEM101
|
3.1
|
0.9
|
1.0
|
C1B
|
E:HEM101
|
3.1
|
0.5
|
1.0
|
CD2
|
E:HIS23
|
3.1
|
0.6
|
1.0
|
C1A
|
E:HEM101
|
3.1
|
0.5
|
1.0
|
CE1
|
F:HIS24
|
3.1
|
0.5
|
1.0
|
C1D
|
E:HEM101
|
3.1
|
0.6
|
1.0
|
C4B
|
E:HEM101
|
3.1
|
0.4
|
1.0
|
C4D
|
E:HEM101
|
3.1
|
0.4
|
1.0
|
C4A
|
E:HEM101
|
3.1
|
0.6
|
1.0
|
CHD
|
E:HEM101
|
3.4
|
0.4
|
1.0
|
CHC
|
E:HEM101
|
3.4
|
0.9
|
1.0
|
CHB
|
E:HEM101
|
3.5
|
0.5
|
1.0
|
CHA
|
E:HEM101
|
3.5
|
0.6
|
1.0
|
CD2
|
F:HIS24
|
3.6
|
0.7
|
1.0
|
CE1
|
E:HIS23
|
3.6
|
0.7
|
1.0
|
ND1
|
F:HIS24
|
4.2
|
0.7
|
1.0
|
C3C
|
E:HEM101
|
4.2
|
0.8
|
1.0
|
C2C
|
E:HEM101
|
4.3
|
0.2
|
1.0
|
C2B
|
E:HEM101
|
4.3
|
1.0
|
1.0
|
C3B
|
E:HEM101
|
4.3
|
0.5
|
1.0
|
C2A
|
E:HEM101
|
4.3
|
0.5
|
1.0
|
C3A
|
E:HEM101
|
4.3
|
0.8
|
1.0
|
C3D
|
E:HEM101
|
4.3
|
0.7
|
1.0
|
C2D
|
E:HEM101
|
4.3
|
0.3
|
1.0
|
CG
|
E:HIS23
|
4.3
|
0.1
|
1.0
|
CG
|
F:HIS24
|
4.4
|
0.6
|
1.0
|
ND1
|
E:HIS23
|
4.6
|
0.6
|
1.0
|
NE1
|
F:TRP20
|
4.9
|
0.9
|
1.0
|
|
Iron binding site 3 out
of 6 in 4fby
Go back to
Iron Binding Sites List in 4fby
Iron binding site 3 out
of 6 in the Fs X-Ray Diffraction of Photosystem II
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 3 of Fs X-Ray Diffraction of Photosystem II within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
V:Fe201
b:1.0
occ:1.00
|
FE
|
V:HEM201
|
0.0
|
1.0
|
1.0
|
NB
|
V:HEM201
|
2.0
|
0.0
|
1.0
|
NC
|
V:HEM201
|
2.0
|
0.5
|
1.0
|
ND
|
V:HEM201
|
2.1
|
0.8
|
1.0
|
NA
|
V:HEM201
|
2.1
|
0.6
|
1.0
|
NE2
|
V:HIS67
|
2.5
|
0.4
|
1.0
|
NE2
|
V:HIS118
|
2.5
|
0.6
|
1.0
|
C4B
|
V:HEM201
|
3.0
|
0.3
|
1.0
|
C1C
|
V:HEM201
|
3.0
|
0.7
|
1.0
|
C4D
|
V:HEM201
|
3.1
|
0.3
|
1.0
|
C1D
|
V:HEM201
|
3.1
|
0.8
|
1.0
|
C4C
|
V:HEM201
|
3.1
|
0.6
|
1.0
|
C1A
|
V:HEM201
|
3.1
|
0.4
|
1.0
|
C1B
|
V:HEM201
|
3.1
|
0.4
|
1.0
|
C4A
|
V:HEM201
|
3.1
|
0.5
|
1.0
|
CE1
|
V:HIS118
|
3.2
|
0.7
|
1.0
|
CD2
|
V:HIS67
|
3.2
|
0.4
|
1.0
|
CD2
|
V:HIS118
|
3.3
|
0.8
|
1.0
|
CHC
|
V:HEM201
|
3.4
|
0.4
|
1.0
|
CHA
|
V:HEM201
|
3.4
|
1.0
|
1.0
|
CHD
|
V:HEM201
|
3.4
|
0.6
|
1.0
|
CHB
|
V:HEM201
|
3.5
|
0.9
|
1.0
|
CE1
|
V:HIS67
|
3.5
|
0.8
|
1.0
|
ND1
|
V:HIS118
|
4.2
|
0.9
|
1.0
|
C3B
|
V:HEM201
|
4.2
|
0.0
|
1.0
|
CG
|
V:HIS118
|
4.2
|
0.6
|
1.0
|
C2C
|
V:HEM201
|
4.3
|
0.5
|
1.0
|
C2B
|
V:HEM201
|
4.3
|
0.6
|
1.0
|
C3C
|
V:HEM201
|
4.3
|
0.7
|
1.0
|
C3D
|
V:HEM201
|
4.3
|
0.5
|
1.0
|
C2D
|
V:HEM201
|
4.3
|
0.3
|
1.0
|
C2A
|
V:HEM201
|
4.3
|
0.3
|
1.0
|
C3A
|
V:HEM201
|
4.3
|
0.2
|
1.0
|
CG
|
V:HIS67
|
4.4
|
0.7
|
1.0
|
ND1
|
V:HIS67
|
4.6
|
0.6
|
1.0
|
CE1
|
V:TYR101
|
4.9
|
0.5
|
1.0
|
|
Iron binding site 4 out
of 6 in 4fby
Go back to
Iron Binding Sites List in 4fby
Iron binding site 4 out
of 6 in the Fs X-Ray Diffraction of Photosystem II
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 4 of Fs X-Ray Diffraction of Photosystem II within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
G:Fe414
b:1.0
occ:1.00
|
NE2
|
Q:HIS214
|
2.4
|
0.2
|
1.0
|
NE2
|
G:HIS215
|
2.4
|
0.9
|
1.0
|
NE2
|
G:HIS272
|
2.5
|
0.7
|
1.0
|
O3
|
Q:BCT411
|
2.5
|
0.4
|
1.0
|
O2
|
Q:BCT411
|
2.6
|
0.1
|
1.0
|
NE2
|
Q:HIS268
|
2.6
|
0.7
|
1.0
|
C
|
Q:BCT411
|
2.9
|
0.2
|
1.0
|
CD2
|
Q:HIS214
|
3.2
|
0.5
|
1.0
|
CE1
|
G:HIS215
|
3.2
|
0.9
|
1.0
|
CD2
|
G:HIS215
|
3.3
|
0.5
|
1.0
|
CE1
|
G:HIS272
|
3.4
|
0.9
|
1.0
|
CD2
|
G:HIS272
|
3.4
|
0.4
|
1.0
|
CE1
|
Q:HIS214
|
3.5
|
0.7
|
1.0
|
CE1
|
Q:HIS268
|
3.5
|
0.3
|
1.0
|
CD2
|
Q:HIS268
|
3.5
|
0.3
|
1.0
|
O1
|
Q:BCT411
|
4.1
|
1.0
|
1.0
|
ND1
|
G:HIS215
|
4.2
|
0.1
|
1.0
|
CG
|
G:HIS215
|
4.3
|
0.2
|
1.0
|
CG
|
Q:HIS214
|
4.4
|
0.0
|
1.0
|
ND1
|
G:HIS272
|
4.5
|
1.0
|
1.0
|
CG
|
G:HIS272
|
4.5
|
0.0
|
1.0
|
ND1
|
Q:HIS214
|
4.6
|
1.0
|
1.0
|
ND1
|
Q:HIS268
|
4.6
|
0.5
|
1.0
|
CG
|
Q:HIS268
|
4.7
|
0.5
|
1.0
|
OH
|
Q:TYR244
|
4.9
|
0.8
|
1.0
|
CG2
|
G:VAL219
|
4.9
|
0.2
|
1.0
|
CG2
|
Q:VAL218
|
5.0
|
0.6
|
1.0
|
|
Iron binding site 5 out
of 6 in 4fby
Go back to
Iron Binding Sites List in 4fby
Iron binding site 5 out
of 6 in the Fs X-Ray Diffraction of Photosystem II
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 5 of Fs X-Ray Diffraction of Photosystem II within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
R:Fe101
b:0.2
occ:1.00
|
FE
|
R:HEM101
|
0.0
|
0.2
|
1.0
|
NC
|
R:HEM101
|
2.0
|
0.9
|
1.0
|
NB
|
R:HEM101
|
2.1
|
0.1
|
1.0
|
NA
|
R:HEM101
|
2.1
|
1.0
|
1.0
|
ND
|
R:HEM101
|
2.1
|
0.3
|
1.0
|
NE2
|
R:HIS23
|
2.5
|
0.3
|
1.0
|
NE2
|
S:HIS24
|
2.5
|
0.8
|
1.0
|
C4C
|
R:HEM101
|
3.0
|
0.3
|
1.0
|
CE1
|
S:HIS24
|
3.0
|
0.7
|
1.0
|
C1C
|
R:HEM101
|
3.1
|
0.2
|
1.0
|
C1A
|
R:HEM101
|
3.1
|
0.1
|
1.0
|
C1B
|
R:HEM101
|
3.1
|
0.4
|
1.0
|
C4B
|
R:HEM101
|
3.1
|
0.2
|
1.0
|
C4D
|
R:HEM101
|
3.1
|
0.3
|
1.0
|
C1D
|
R:HEM101
|
3.1
|
0.9
|
1.0
|
C4A
|
R:HEM101
|
3.1
|
0.1
|
1.0
|
CD2
|
R:HIS23
|
3.1
|
0.2
|
1.0
|
CHD
|
R:HEM101
|
3.4
|
0.2
|
1.0
|
CHC
|
R:HEM101
|
3.4
|
0.5
|
1.0
|
CHA
|
R:HEM101
|
3.4
|
0.8
|
1.0
|
CHB
|
R:HEM101
|
3.5
|
0.1
|
1.0
|
CD2
|
S:HIS24
|
3.6
|
0.8
|
1.0
|
CE1
|
R:HIS23
|
3.6
|
0.3
|
1.0
|
ND1
|
S:HIS24
|
4.2
|
0.1
|
1.0
|
C3C
|
R:HEM101
|
4.3
|
0.4
|
1.0
|
C2C
|
R:HEM101
|
4.3
|
0.9
|
1.0
|
C2B
|
R:HEM101
|
4.3
|
0.1
|
1.0
|
C2A
|
R:HEM101
|
4.3
|
0.8
|
1.0
|
C3B
|
R:HEM101
|
4.3
|
1.0
|
1.0
|
C3A
|
R:HEM101
|
4.3
|
1.0
|
1.0
|
C3D
|
R:HEM101
|
4.3
|
0.1
|
1.0
|
C2D
|
R:HEM101
|
4.3
|
0.1
|
1.0
|
CG
|
R:HIS23
|
4.4
|
0.2
|
1.0
|
CG
|
S:HIS24
|
4.4
|
0.6
|
1.0
|
ND1
|
R:HIS23
|
4.6
|
0.3
|
1.0
|
NE1
|
S:TRP20
|
4.9
|
0.6
|
1.0
|
|
Iron binding site 6 out
of 6 in 4fby
Go back to
Iron Binding Sites List in 4fby
Iron binding site 6 out
of 6 in the Fs X-Ray Diffraction of Photosystem II
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 6 of Fs X-Ray Diffraction of Photosystem II within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
i:Fe201
b:0.5
occ:1.00
|
FE
|
i:HEM201
|
0.0
|
0.5
|
1.0
|
NB
|
i:HEM201
|
2.0
|
0.8
|
1.0
|
ND
|
i:HEM201
|
2.0
|
0.7
|
1.0
|
NC
|
i:HEM201
|
2.1
|
0.8
|
1.0
|
NA
|
i:HEM201
|
2.1
|
0.6
|
1.0
|
NE2
|
i:HIS118
|
2.5
|
0.1
|
1.0
|
NE2
|
i:HIS67
|
2.5
|
0.1
|
1.0
|
C4B
|
i:HEM201
|
3.0
|
0.9
|
1.0
|
C4D
|
i:HEM201
|
3.0
|
0.0
|
1.0
|
C1C
|
i:HEM201
|
3.1
|
0.9
|
1.0
|
C1D
|
i:HEM201
|
3.1
|
0.2
|
1.0
|
C1A
|
i:HEM201
|
3.1
|
0.1
|
1.0
|
C4C
|
i:HEM201
|
3.1
|
0.4
|
1.0
|
C1B
|
i:HEM201
|
3.1
|
0.6
|
1.0
|
C4A
|
i:HEM201
|
3.1
|
0.4
|
1.0
|
CE1
|
i:HIS118
|
3.2
|
0.8
|
1.0
|
CD2
|
i:HIS67
|
3.3
|
0.8
|
1.0
|
CD2
|
i:HIS118
|
3.3
|
0.0
|
1.0
|
CHC
|
i:HEM201
|
3.4
|
0.9
|
1.0
|
CHA
|
i:HEM201
|
3.4
|
0.6
|
1.0
|
CHD
|
i:HEM201
|
3.4
|
0.5
|
1.0
|
CHB
|
i:HEM201
|
3.5
|
0.9
|
1.0
|
CE1
|
i:HIS67
|
3.6
|
0.7
|
1.0
|
ND1
|
i:HIS118
|
4.2
|
0.5
|
1.0
|
CG
|
i:HIS118
|
4.2
|
0.8
|
1.0
|
C3B
|
i:HEM201
|
4.3
|
0.6
|
1.0
|
C3D
|
i:HEM201
|
4.3
|
0.6
|
1.0
|
C2C
|
i:HEM201
|
4.3
|
0.4
|
1.0
|
C2D
|
i:HEM201
|
4.3
|
0.9
|
1.0
|
C2B
|
i:HEM201
|
4.3
|
0.3
|
1.0
|
C3C
|
i:HEM201
|
4.3
|
0.3
|
1.0
|
C2A
|
i:HEM201
|
4.3
|
0.4
|
1.0
|
C3A
|
i:HEM201
|
4.3
|
0.2
|
1.0
|
CG
|
i:HIS67
|
4.5
|
0.9
|
1.0
|
ND1
|
i:HIS67
|
4.6
|
0.1
|
1.0
|
CE1
|
i:TYR101
|
5.0
|
0.5
|
1.0
|
|
Reference:
J.Kern,
R.Alonso-Mori,
J.Hellmich,
R.Tran,
J.Hattne,
H.Laksmono,
C.Glockner,
N.Echols,
R.G.Sierra,
J.Sellberg,
B.Lassalle-Kaiser,
R.J.Gildea,
P.Glatzel,
R.W.Grosse-Kunstleve,
M.J.Latimer,
T.A.Mcqueen,
D.Difiore,
A.R.Fry,
M.Messerschmidt,
A.Miahnahri,
D.W.Schafer,
M.M.Seibert,
D.Sokaras,
T.C.Weng,
P.H.Zwart,
W.E.White,
P.D.Adams,
M.J.Bogan,
S.Boutet,
G.J.Williams,
J.Messinger,
N.K.Sauter,
A.Zouni,
U.Bergmann,
J.Yano,
V.K.Yachandra.
Room Temperature Femtosecond X-Ray Diffraction of Photosystem II Microcrystals. Proc.Natl.Acad.Sci.Usa V. 109 9721 2012.
ISSN: ISSN 0027-8424
PubMed: 22665786
DOI: 10.1073/PNAS.1204598109
Page generated: Mon Aug 5 02:12:07 2024
|