Iron in PDB 4tnj: Rt Xfel Structure of Photosystem II 500 Ms After the 2ND Illumination (2F) at 4.5 A Resolution
Enzymatic activity of Rt Xfel Structure of Photosystem II 500 Ms After the 2ND Illumination (2F) at 4.5 A Resolution
All present enzymatic activity of Rt Xfel Structure of Photosystem II 500 Ms After the 2ND Illumination (2F) at 4.5 A Resolution:
1.10.3.9;
Protein crystallography data
The structure of Rt Xfel Structure of Photosystem II 500 Ms After the 2ND Illumination (2F) at 4.5 A Resolution, PDB code: 4tnj
was solved by
J.Kern,
R.Tran,
R.Alonso-Mori,
S.Koroidov,
N.Echols,
J.Hattne,
M.Ibrahim,
S.Gul,
H.Laksmono,
R.G.Sierra,
R.J.Gildea,
G.Han,
J.Hellmich,
B.Lassalle-Kaiser,
R.Chatterjee,
A.Brewster,
C.A.Stan,
C.Gloeckner,
A.Lampe,
D.Difiore,
D.Milathianaki,
A.R.Fry,
M.M.Seibert,
J.E.Koglin,
E.Gallo,
J.Uhlig,
D.Sokaras,
T.-C.Weng,
P.H.Zwart,
D.E.Skinner,
M.J.Bogan,
M.Messerschmidt,
P.Glatzel,
G.J.Williams,
S.Boutet,
P.D.Adams,
A.Zouni,
J.Messinger,
N.K.Sauter,
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)
|
72.97 /
4.50
|
Space group
|
P 21 21 21
|
Cell size a, b, c (Å), α, β, γ (°)
|
132.298,
228.713,
307.976,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
27.6 /
28.4
|
Other elements in 4tnj:
The structure of Rt Xfel Structure of Photosystem II 500 Ms After the 2ND Illumination (2F) at 4.5 A Resolution also contains other interesting chemical elements:
Iron Binding Sites:
The binding sites of Iron atom in the Rt Xfel Structure of Photosystem II 500 Ms After the 2ND Illumination (2F) at 4.5 A Resolution
(pdb code 4tnj). 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 500 Ms After the 2ND Illumination (2F) at 4.5 A Resolution, PDB code: 4tnj:
Jump to Iron binding site number:
1;
2;
3;
4;
5;
6;
Iron binding site 1 out
of 6 in 4tnj
Go back to
Iron Binding Sites List in 4tnj
Iron binding site 1 out
of 6 in the Rt Xfel Structure of Photosystem II 500 Ms After the 2ND Illumination (2F) at 4.5 A 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 500 Ms After the 2ND Illumination (2F) at 4.5 A Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe401
b:0.4
occ:1.00
|
NE2
|
D:HIS214
|
2.5
|
0.5
|
1.0
|
NE2
|
A:HIS215
|
2.5
|
0.2
|
1.0
|
NE2
|
A:HIS272
|
2.5
|
0.9
|
1.0
|
O3
|
D:BCT404
|
2.7
|
0.3
|
1.0
|
NE2
|
D:HIS268
|
2.7
|
0.9
|
1.0
|
O2
|
D:BCT404
|
2.7
|
0.6
|
1.0
|
C
|
D:BCT404
|
3.1
|
0.4
|
1.0
|
CD2
|
D:HIS214
|
3.2
|
0.5
|
1.0
|
CD2
|
A:HIS272
|
3.3
|
0.9
|
1.0
|
CD2
|
A:HIS215
|
3.4
|
0.8
|
1.0
|
CE1
|
A:HIS215
|
3.4
|
0.4
|
1.0
|
CE1
|
A:HIS272
|
3.6
|
0.4
|
1.0
|
CE1
|
D:HIS268
|
3.6
|
0.2
|
1.0
|
CE1
|
D:HIS214
|
3.6
|
0.6
|
1.0
|
CD2
|
D:HIS268
|
3.6
|
0.7
|
1.0
|
O1
|
D:BCT404
|
4.3
|
0.6
|
1.0
|
CG
|
D:HIS214
|
4.4
|
0.4
|
1.0
|
CG
|
A:HIS272
|
4.5
|
0.4
|
1.0
|
ND1
|
A:HIS215
|
4.5
|
0.8
|
1.0
|
CG
|
A:HIS215
|
4.5
|
0.9
|
1.0
|
ND1
|
A:HIS272
|
4.6
|
0.8
|
1.0
|
ND1
|
D:HIS214
|
4.6
|
0.8
|
1.0
|
OH
|
D:TYR244
|
4.7
|
0.0
|
1.0
|
ND1
|
D:HIS268
|
4.7
|
0.6
|
1.0
|
CG
|
D:HIS268
|
4.8
|
0.3
|
1.0
|
CG2
|
D:VAL218
|
4.8
|
0.5
|
1.0
|
|
Iron binding site 2 out
of 6 in 4tnj
Go back to
Iron Binding Sites List in 4tnj
Iron binding site 2 out
of 6 in the Rt Xfel Structure of Photosystem II 500 Ms After the 2ND Illumination (2F) at 4.5 A 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 500 Ms After the 2ND Illumination (2F) at 4.5 A Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
F:Fe101
b:0.1
occ:1.00
|
FE
|
F:HEM101
|
0.0
|
0.1
|
1.0
|
NC
|
F:HEM101
|
2.0
|
0.8
|
1.0
|
NA
|
F:HEM101
|
2.1
|
0.9
|
1.0
|
NB
|
F:HEM101
|
2.1
|
0.3
|
1.0
|
ND
|
F:HEM101
|
2.1
|
0.1
|
1.0
|
NE2
|
E:HIS23
|
2.6
|
0.6
|
1.0
|
NE2
|
F:HIS24
|
2.6
|
0.8
|
1.0
|
CE1
|
F:HIS24
|
3.0
|
0.6
|
1.0
|
C4C
|
F:HEM101
|
3.1
|
0.6
|
1.0
|
C1D
|
F:HEM101
|
3.1
|
0.5
|
1.0
|
C4D
|
F:HEM101
|
3.1
|
0.2
|
1.0
|
C1A
|
F:HEM101
|
3.1
|
0.9
|
1.0
|
C1C
|
F:HEM101
|
3.1
|
0.6
|
1.0
|
C4A
|
F:HEM101
|
3.1
|
0.4
|
1.0
|
C1B
|
F:HEM101
|
3.1
|
0.0
|
1.0
|
C4B
|
F:HEM101
|
3.1
|
0.9
|
1.0
|
CD2
|
E:HIS23
|
3.3
|
0.1
|
1.0
|
CHD
|
F:HEM101
|
3.4
|
0.6
|
1.0
|
CHA
|
F:HEM101
|
3.4
|
0.8
|
1.0
|
CHB
|
F:HEM101
|
3.5
|
0.9
|
1.0
|
CHC
|
F:HEM101
|
3.5
|
1.0
|
1.0
|
CE1
|
E:HIS23
|
3.7
|
0.4
|
1.0
|
CD2
|
F:HIS24
|
3.7
|
0.1
|
1.0
|
ND1
|
F:HIS24
|
4.1
|
0.8
|
1.0
|
C3D
|
F:HEM101
|
4.2
|
0.7
|
1.0
|
C2D
|
F:HEM101
|
4.2
|
0.1
|
1.0
|
C3C
|
F:HEM101
|
4.3
|
0.1
|
1.0
|
C2A
|
F:HEM101
|
4.3
|
0.4
|
1.0
|
C3A
|
F:HEM101
|
4.3
|
0.5
|
1.0
|
C2C
|
F:HEM101
|
4.3
|
0.0
|
1.0
|
C2B
|
F:HEM101
|
4.3
|
0.5
|
1.0
|
C3B
|
F:HEM101
|
4.3
|
0.2
|
1.0
|
CG
|
F:HIS24
|
4.4
|
0.3
|
1.0
|
CG
|
E:HIS23
|
4.5
|
0.6
|
1.0
|
ND1
|
E:HIS23
|
4.7
|
0.3
|
1.0
|
NE1
|
F:TRP20
|
4.8
|
0.4
|
1.0
|
|
Iron binding site 3 out
of 6 in 4tnj
Go back to
Iron Binding Sites List in 4tnj
Iron binding site 3 out
of 6 in the Rt Xfel Structure of Photosystem II 500 Ms After the 2ND Illumination (2F) at 4.5 A 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 500 Ms After the 2ND Illumination (2F) at 4.5 A Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
V:Fe201
b:0.5
occ:1.00
|
FE
|
V:HEM201
|
0.0
|
0.5
|
1.0
|
NC
|
V:HEM201
|
2.0
|
0.8
|
1.0
|
NB
|
V:HEM201
|
2.1
|
0.1
|
1.0
|
NA
|
V:HEM201
|
2.1
|
0.5
|
1.0
|
ND
|
V:HEM201
|
2.1
|
0.1
|
1.0
|
NE2
|
V:HIS67
|
2.5
|
0.4
|
1.0
|
NE2
|
V:HIS118
|
2.6
|
0.2
|
1.0
|
C4B
|
V:HEM201
|
3.0
|
0.6
|
1.0
|
C1B
|
V:HEM201
|
3.0
|
0.6
|
1.0
|
C1C
|
V:HEM201
|
3.0
|
0.7
|
1.0
|
C4C
|
V:HEM201
|
3.1
|
0.6
|
1.0
|
C1D
|
V:HEM201
|
3.1
|
0.5
|
1.0
|
C4A
|
V:HEM201
|
3.1
|
0.3
|
1.0
|
C1A
|
V:HEM201
|
3.1
|
0.9
|
1.0
|
C4D
|
V:HEM201
|
3.1
|
0.1
|
1.0
|
CD2
|
V:HIS67
|
3.2
|
0.7
|
1.0
|
CD2
|
V:HIS118
|
3.4
|
0.4
|
1.0
|
CHC
|
V:HEM201
|
3.4
|
0.6
|
1.0
|
CHD
|
V:HEM201
|
3.4
|
0.8
|
1.0
|
CHB
|
V:HEM201
|
3.4
|
0.8
|
1.0
|
CE1
|
V:HIS118
|
3.4
|
0.3
|
1.0
|
CHA
|
V:HEM201
|
3.5
|
0.9
|
1.0
|
CE1
|
V:HIS67
|
3.5
|
0.7
|
1.0
|
C3B
|
V:HEM201
|
4.2
|
0.5
|
1.0
|
C2B
|
V:HEM201
|
4.2
|
0.9
|
1.0
|
C2C
|
V:HEM201
|
4.3
|
0.1
|
1.0
|
C3C
|
V:HEM201
|
4.3
|
0.1
|
1.0
|
C3A
|
V:HEM201
|
4.3
|
0.7
|
1.0
|
C2A
|
V:HEM201
|
4.3
|
0.9
|
1.0
|
C2D
|
V:HEM201
|
4.3
|
0.1
|
1.0
|
C3D
|
V:HEM201
|
4.3
|
1.0
|
1.0
|
CG
|
V:HIS67
|
4.4
|
0.5
|
1.0
|
CG
|
V:HIS118
|
4.4
|
0.6
|
1.0
|
ND1
|
V:HIS118
|
4.4
|
0.8
|
1.0
|
ND1
|
V:HIS67
|
4.5
|
0.2
|
1.0
|
CE1
|
V:TYR101
|
5.0
|
0.4
|
1.0
|
|
Iron binding site 4 out
of 6 in 4tnj
Go back to
Iron Binding Sites List in 4tnj
Iron binding site 4 out
of 6 in the Rt Xfel Structure of Photosystem II 500 Ms After the 2ND Illumination (2F) at 4.5 A 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 500 Ms After the 2ND Illumination (2F) at 4.5 A Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
a:Fe403
b:0.9
occ:1.00
|
NE2
|
d:HIS214
|
2.5
|
0.7
|
1.0
|
NE2
|
a:HIS272
|
2.6
|
0.4
|
1.0
|
NE2
|
a:HIS215
|
2.6
|
0.7
|
1.0
|
O2
|
d:BCT403
|
2.7
|
0.3
|
1.0
|
O3
|
d:BCT403
|
2.7
|
0.1
|
1.0
|
NE2
|
d:HIS268
|
2.7
|
0.5
|
1.0
|
C
|
d:BCT403
|
3.1
|
0.2
|
1.0
|
CD2
|
d:HIS214
|
3.3
|
0.5
|
1.0
|
CD2
|
a:HIS272
|
3.3
|
0.1
|
1.0
|
CE1
|
a:HIS215
|
3.4
|
0.5
|
1.0
|
CD2
|
a:HIS215
|
3.5
|
0.3
|
1.0
|
CE1
|
d:HIS268
|
3.5
|
0.1
|
1.0
|
CE1
|
a:HIS272
|
3.6
|
0.4
|
1.0
|
CE1
|
d:HIS214
|
3.6
|
1.0
|
1.0
|
CD2
|
d:HIS268
|
3.7
|
1.0
|
1.0
|
O1
|
d:BCT403
|
4.2
|
1.0
|
1.0
|
CG
|
d:HIS214
|
4.5
|
0.6
|
1.0
|
CG
|
a:HIS272
|
4.5
|
0.1
|
1.0
|
ND1
|
a:HIS215
|
4.5
|
0.7
|
1.0
|
CG
|
a:HIS215
|
4.6
|
0.7
|
1.0
|
ND1
|
a:HIS272
|
4.6
|
0.6
|
1.0
|
OH
|
d:TYR244
|
4.6
|
0.4
|
1.0
|
ND1
|
d:HIS214
|
4.6
|
0.9
|
1.0
|
ND1
|
d:HIS268
|
4.7
|
0.1
|
1.0
|
CG2
|
d:VAL218
|
4.8
|
0.7
|
1.0
|
CG
|
d:HIS268
|
4.8
|
0.9
|
1.0
|
|
Iron binding site 5 out
of 6 in 4tnj
Go back to
Iron Binding Sites List in 4tnj
Iron binding site 5 out
of 6 in the Rt Xfel Structure of Photosystem II 500 Ms After the 2ND Illumination (2F) at 4.5 A 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 500 Ms After the 2ND Illumination (2F) at 4.5 A Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
f:Fe101
b:0.7
occ:1.00
|
FE
|
f:HEM101
|
0.0
|
0.7
|
1.0
|
NC
|
f:HEM101
|
2.1
|
0.5
|
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
|
0.7
|
1.0
|
NE2
|
e:HIS23
|
2.6
|
0.8
|
1.0
|
NE2
|
f:HIS24
|
2.6
|
0.7
|
1.0
|
CE1
|
f:HIS24
|
3.0
|
0.6
|
1.0
|
C4C
|
f:HEM101
|
3.1
|
0.9
|
1.0
|
C1D
|
f:HEM101
|
3.1
|
1.0
|
1.0
|
C4D
|
f:HEM101
|
3.1
|
0.4
|
1.0
|
C1A
|
f:HEM101
|
3.1
|
0.9
|
1.0
|
C4A
|
f:HEM101
|
3.1
|
0.9
|
1.0
|
C1C
|
f:HEM101
|
3.1
|
0.5
|
1.0
|
C1B
|
f:HEM101
|
3.1
|
0.5
|
1.0
|
C4B
|
f:HEM101
|
3.1
|
0.5
|
1.0
|
CD2
|
e:HIS23
|
3.3
|
0.6
|
1.0
|
CHD
|
f:HEM101
|
3.4
|
0.1
|
1.0
|
CHA
|
f:HEM101
|
3.4
|
0.8
|
1.0
|
CHB
|
f:HEM101
|
3.5
|
0.7
|
1.0
|
CHC
|
f:HEM101
|
3.5
|
0.0
|
1.0
|
CE1
|
e:HIS23
|
3.7
|
0.7
|
1.0
|
CD2
|
f:HIS24
|
3.7
|
0.8
|
1.0
|
ND1
|
f:HIS24
|
4.1
|
0.3
|
1.0
|
C2D
|
f:HEM101
|
4.2
|
0.0
|
1.0
|
C3D
|
f:HEM101
|
4.2
|
0.4
|
1.0
|
C2A
|
f:HEM101
|
4.3
|
0.1
|
1.0
|
C3C
|
f:HEM101
|
4.3
|
0.0
|
1.0
|
C3A
|
f:HEM101
|
4.3
|
0.3
|
1.0
|
C2C
|
f:HEM101
|
4.3
|
0.0
|
1.0
|
C2B
|
f:HEM101
|
4.3
|
0.4
|
1.0
|
C3B
|
f:HEM101
|
4.3
|
0.3
|
1.0
|
CG
|
f:HIS24
|
4.5
|
0.1
|
1.0
|
CG
|
e:HIS23
|
4.5
|
0.6
|
1.0
|
ND1
|
e:HIS23
|
4.6
|
0.8
|
1.0
|
NE1
|
f:TRP20
|
4.7
|
0.4
|
1.0
|
|
Iron binding site 6 out
of 6 in 4tnj
Go back to
Iron Binding Sites List in 4tnj
Iron binding site 6 out
of 6 in the Rt Xfel Structure of Photosystem II 500 Ms After the 2ND Illumination (2F) at 4.5 A 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 500 Ms After the 2ND Illumination (2F) at 4.5 A Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
v:Fe201
b:0.8
occ:1.00
|
FE
|
v:HEM201
|
0.0
|
0.8
|
1.0
|
NC
|
v:HEM201
|
2.1
|
1.0
|
1.0
|
NA
|
v:HEM201
|
2.1
|
0.2
|
1.0
|
NB
|
v:HEM201
|
2.1
|
1.0
|
1.0
|
ND
|
v:HEM201
|
2.1
|
0.3
|
1.0
|
NE2
|
v:HIS67
|
2.5
|
0.8
|
1.0
|
NE2
|
v:HIS118
|
2.6
|
1.0
|
1.0
|
C4B
|
v:HEM201
|
3.0
|
0.4
|
1.0
|
C1B
|
v:HEM201
|
3.1
|
0.2
|
1.0
|
C1C
|
v:HEM201
|
3.1
|
0.3
|
1.0
|
C1A
|
v:HEM201
|
3.1
|
0.0
|
1.0
|
C4C
|
v:HEM201
|
3.1
|
0.2
|
1.0
|
C4D
|
v:HEM201
|
3.1
|
0.9
|
1.0
|
C4A
|
v:HEM201
|
3.1
|
0.9
|
1.0
|
C1D
|
v:HEM201
|
3.1
|
0.3
|
1.0
|
CD2
|
v:HIS67
|
3.3
|
0.0
|
1.0
|
CD2
|
v:HIS118
|
3.4
|
0.1
|
1.0
|
CHC
|
v:HEM201
|
3.4
|
0.4
|
1.0
|
CHA
|
v:HEM201
|
3.4
|
0.3
|
1.0
|
CHD
|
v:HEM201
|
3.4
|
0.4
|
1.0
|
CHB
|
v:HEM201
|
3.4
|
0.8
|
1.0
|
CE1
|
v:HIS118
|
3.5
|
0.1
|
1.0
|
CE1
|
v:HIS67
|
3.6
|
1.0
|
1.0
|
C3B
|
v:HEM201
|
4.2
|
0.4
|
1.0
|
C2B
|
v:HEM201
|
4.2
|
0.9
|
1.0
|
C2C
|
v:HEM201
|
4.3
|
0.2
|
1.0
|
C3C
|
v:HEM201
|
4.3
|
0.0
|
1.0
|
C2A
|
v:HEM201
|
4.3
|
0.3
|
1.0
|
C3A
|
v:HEM201
|
4.3
|
0.2
|
1.0
|
C2D
|
v:HEM201
|
4.3
|
0.8
|
1.0
|
C3D
|
v:HEM201
|
4.3
|
0.3
|
1.0
|
CG
|
v:HIS118
|
4.4
|
0.2
|
1.0
|
CG
|
v:HIS67
|
4.4
|
0.2
|
1.0
|
ND1
|
v:HIS118
|
4.4
|
0.4
|
1.0
|
ND1
|
v:HIS67
|
4.5
|
0.8
|
1.0
|
CE1
|
v:TYR101
|
4.9
|
0.5
|
1.0
|
|
Reference:
J.Kern,
R.Tran,
R.Alonso-Mori,
S.Koroidov,
N.Echols,
J.Hattne,
M.Ibrahim,
S.Gul,
H.Laksmono,
R.G.Sierra,
R.J.Gildea,
G.Han,
J.Hellmich,
B.Lassalle-Kaiser,
R.Chatterjee,
A.S.Brewster,
C.A.Stan,
C.Glockner,
A.Lampe,
D.Difiore,
D.Milathianaki,
A.R.Fry,
M.M.Seibert,
J.E.Koglin,
E.Gallo,
J.Uhlig,
D.Sokaras,
T.C.Weng,
P.H.Zwart,
D.E.Skinner,
M.J.Bogan,
M.Messerschmidt,
P.Glatzel,
G.J.Williams,
S.Boutet,
P.D.Adams,
A.Zouni,
J.Messinger,
N.K.Sauter,
U.Bergmann,
J.Yano,
V.K.Yachandra.
Taking Snapshots of Photosynthetic Water Oxidation Using Femtosecond X-Ray Diffraction and Spectroscopy. Nat Commun V. 5 4371 2014.
ISSN: ESSN 2041-1723
PubMed: 25006873
DOI: 10.1038/NCOMMS5371
Page generated: Mon Aug 5 10:22:08 2024
|