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Iron in PDB 8f4f: Rt Xfel Structure of Photosystem II 500 Microseconds After the Third Illumination at 2.03 Angstrom Resolution

Enzymatic activity of Rt Xfel Structure of Photosystem II 500 Microseconds After the Third Illumination at 2.03 Angstrom Resolution

All present enzymatic activity of Rt Xfel Structure of Photosystem II 500 Microseconds After the Third Illumination at 2.03 Angstrom Resolution:
1.10.3.9;

Protein crystallography data

The structure of Rt Xfel Structure of Photosystem II 500 Microseconds After the Third Illumination at 2.03 Angstrom Resolution, PDB code: 8f4f 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) 31.23 / 2.03
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 117.534, 222.832, 309.505, 90, 90, 90
R / Rfree (%) 19.9 / 24.9

Other elements in 8f4f:

The structure of Rt Xfel Structure of Photosystem II 500 Microseconds After the Third Illumination at 2.03 Angstrom Resolution also contains other interesting chemical elements:

Manganese (Mn) 16 atoms
Chlorine (Cl) 4 atoms
Calcium (Ca) 4 atoms
Magnesium (Mg) 70 atoms

Iron Binding Sites:

The binding sites of Iron atom in the Rt Xfel Structure of Photosystem II 500 Microseconds After the Third Illumination at 2.03 Angstrom Resolution (pdb code 8f4f). 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 Microseconds After the Third Illumination at 2.03 Angstrom Resolution, PDB code: 8f4f:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6;

Iron binding site 1 out of 6 in 8f4f

Go back to Iron Binding Sites List in 8f4f
Iron binding site 1 out of 6 in the Rt Xfel Structure of Photosystem II 500 Microseconds After the Third Illumination at 2.03 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 500 Microseconds After the Third Illumination at 2.03 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe602

b:29.1
occ:1.00
O2 A:BCT605 2.1 28.0 1.0
NE2 A:HIS215 2.2 26.6 1.0
NE2 D:HIS214 2.2 26.9 1.0
O1 A:BCT605 2.2 32.1 1.0
NE2 D:HIS268 2.2 32.3 1.0
NE2 A:HIS272 2.2 30.0 1.0
C A:BCT605 2.4 34.5 1.0
CE1 A:HIS215 3.1 28.6 1.0
CE1 A:HIS272 3.1 28.1 1.0
CE1 D:HIS214 3.1 24.7 1.0
CE1 D:HIS268 3.1 28.2 1.0
CD2 D:HIS214 3.2 27.8 1.0
CD2 A:HIS215 3.2 28.6 1.0
CD2 D:HIS268 3.3 26.2 1.0
CD2 A:HIS272 3.3 27.9 1.0
O3 A:BCT605 3.8 34.8 1.0
O A:HOH701 4.2 40.3 1.0
ND1 A:HIS215 4.2 27.0 1.0
ND1 D:HIS214 4.2 27.1 1.0
ND1 A:HIS272 4.3 30.3 1.0
ND1 D:HIS268 4.3 30.0 1.0
CG A:HIS215 4.3 27.0 1.0
CG D:HIS214 4.3 24.3 1.0
CG D:HIS268 4.4 27.7 1.0
CG A:HIS272 4.4 32.5 1.0
CG2 A:VAL219 4.7 28.3 1.0
OH D:TYR244 4.8 41.1 1.0
CG2 D:VAL218 4.9 26.8 1.0

Iron binding site 2 out of 6 in 8f4f

Go back to Iron Binding Sites List in 8f4f
Iron binding site 2 out of 6 in the Rt Xfel Structure of Photosystem II 500 Microseconds After the Third Illumination at 2.03 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 500 Microseconds After the Third Illumination at 2.03 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Fe101

b:49.1
occ:1.00
FE E:HEM101 0.0 49.1 1.0
ND E:HEM101 2.0 42.4 1.0
NC E:HEM101 2.0 46.0 1.0
NE2 E:HIS23 2.1 48.1 1.0
NB E:HEM101 2.1 41.9 1.0
NA E:HEM101 2.1 48.1 1.0
NE2 F:HIS24 2.2 41.7 1.0
CD2 F:HIS24 2.9 39.4 1.0
C4D E:HEM101 2.9 48.8 1.0
C1D E:HEM101 2.9 44.5 1.0
CD2 E:HIS23 3.0 47.1 1.0
C1A E:HEM101 3.1 46.7 1.0
C4C E:HEM101 3.1 40.3 1.0
C1C E:HEM101 3.1 44.5 1.0
CE1 E:HIS23 3.1 49.6 1.0
C4A E:HEM101 3.1 45.7 1.0
C4B E:HEM101 3.1 43.8 1.0
C1B E:HEM101 3.1 47.8 1.0
CE1 F:HIS24 3.3 44.3 1.0
CHD E:HEM101 3.4 43.2 1.0
CHA E:HEM101 3.4 45.9 1.0
CHC E:HEM101 3.5 45.2 1.0
CHB E:HEM101 3.5 49.4 1.0
C2D E:HEM101 4.1 45.2 1.0
C3D E:HEM101 4.1 44.3 1.0
CG F:HIS24 4.1 43.0 1.0
ND1 E:HIS23 4.2 48.9 1.0
CG E:HIS23 4.2 50.8 1.0
C2A E:HEM101 4.3 51.2 1.0
ND1 F:HIS24 4.3 43.5 1.0
C3C E:HEM101 4.3 39.2 1.0
C2C E:HEM101 4.3 39.2 1.0
C3A E:HEM101 4.3 50.4 1.0
C3B E:HEM101 4.3 43.6 1.0
C2B E:HEM101 4.3 45.5 1.0
CD1 E:ILE22 4.8 50.0 0.1
CE1 E:TYR19 4.8 52.9 1.0
CZ2 F:TRP20 5.0 42.7 1.0
NE1 F:TRP20 5.0 47.4 1.0

Iron binding site 3 out of 6 in 8f4f

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Iron binding site 3 out of 6 in the Rt Xfel Structure of Photosystem II 500 Microseconds After the Third Illumination at 2.03 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 500 Microseconds After the Third Illumination at 2.03 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
V:Fe201

b:33.1
occ:1.00
FE V:HEC201 0.0 33.1 1.0
NB V:HEC201 2.0 27.9 1.0
NA V:HEC201 2.0 28.6 1.0
NC V:HEC201 2.1 25.6 1.0
ND V:HEC201 2.1 33.8 1.0
NE2 V:HIS92 2.1 34.1 1.0
NE2 V:HIS41 2.2 29.8 1.0
CD2 V:HIS41 3.0 27.5 1.0
C1B V:HEC201 3.0 25.6 1.0
C4A V:HEC201 3.0 30.3 1.0
CD2 V:HIS92 3.0 31.9 1.0
C4B V:HEC201 3.1 30.6 1.0
C1A V:HEC201 3.1 33.3 1.0
C4C V:HEC201 3.1 29.4 1.0
C4D V:HEC201 3.1 33.9 1.0
C1D V:HEC201 3.1 30.4 1.0
C1C V:HEC201 3.1 33.8 1.0
CE1 V:HIS92 3.1 30.1 1.0
CE1 V:HIS41 3.3 29.9 1.0
CHB V:HEC201 3.4 28.2 1.0
CHD V:HEC201 3.4 31.4 1.0
CHA V:HEC201 3.4 32.3 1.0
CHC V:HEC201 3.5 30.7 1.0
CG V:HIS41 4.2 29.8 1.0
CG V:HIS92 4.2 35.7 1.0
ND1 V:HIS92 4.2 32.9 1.0
C2B V:HEC201 4.2 31.8 1.0
C3B V:HEC201 4.2 30.1 1.0
C3A V:HEC201 4.2 31.6 1.0
C2A V:HEC201 4.3 30.2 1.0
ND1 V:HIS41 4.3 34.4 1.0
C3D V:HEC201 4.3 30.9 1.0
C3C V:HEC201 4.3 28.6 1.0
C2C V:HEC201 4.3 28.9 1.0
C2D V:HEC201 4.3 29.7 1.0
CE1 V:TYR75 5.0 30.3 1.0

Iron binding site 4 out of 6 in 8f4f

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Iron binding site 4 out of 6 in the Rt Xfel Structure of Photosystem II 500 Microseconds After the Third Illumination at 2.03 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 500 Microseconds After the Third Illumination at 2.03 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
a:Fe602

b:32.9
occ:1.00
NE2 d:HIS214 2.1 29.9 1.0
O1 d:BCT401 2.1 34.6 1.0
NE2 a:HIS215 2.2 32.4 1.0
O2 d:BCT401 2.2 33.6 1.0
NE2 d:HIS268 2.3 36.3 1.0
NE2 a:HIS272 2.3 42.5 1.0
C d:BCT401 2.4 43.8 1.0
CE1 d:HIS268 3.1 32.6 1.0
CE1 d:HIS214 3.1 28.4 1.0
CE1 a:HIS215 3.1 35.0 1.0
CE1 a:HIS272 3.1 38.9 1.0
CD2 d:HIS214 3.1 30.9 1.0
CD2 a:HIS215 3.2 36.2 1.0
CD2 a:HIS272 3.4 35.4 1.0
CD2 d:HIS268 3.4 34.8 1.0
O3 d:BCT401 3.9 43.1 1.0
ND1 d:HIS214 4.2 31.7 1.0
ND1 a:HIS215 4.2 34.2 1.0
CG d:HIS214 4.3 32.9 1.0
ND1 d:HIS268 4.3 32.9 1.0
ND1 a:HIS272 4.3 34.2 1.0
CG a:HIS215 4.3 30.8 1.0
CG a:HIS272 4.4 35.7 1.0
CG d:HIS268 4.5 36.4 1.0
CG2 a:VAL219 4.8 38.8 1.0
CG2 d:VAL218 4.9 35.1 1.0

Iron binding site 5 out of 6 in 8f4f

Go back to Iron Binding Sites List in 8f4f
Iron binding site 5 out of 6 in the Rt Xfel Structure of Photosystem II 500 Microseconds After the Third Illumination at 2.03 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 500 Microseconds After the Third Illumination at 2.03 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
f:Fe101

b:55.7
occ:1.00
FE f:HEM101 0.0 55.7 1.0
NC f:HEM101 2.0 51.9 1.0
ND f:HEM101 2.1 58.6 1.0
NB f:HEM101 2.1 54.9 1.0
NA f:HEM101 2.1 58.5 1.0
NE2 e:HIS23 2.1 56.7 1.0
NE2 f:HIS24 2.2 59.4 1.0
C1D f:HEM101 3.0 55.5 1.0
C4D f:HEM101 3.0 55.9 1.0
C4C f:HEM101 3.0 50.4 1.0
C1C f:HEM101 3.0 55.4 1.0
C1A f:HEM101 3.1 61.9 1.0
C4A f:HEM101 3.1 57.0 1.0
C1B f:HEM101 3.1 57.9 1.0
CD2 e:HIS23 3.1 61.2 1.0
CE1 f:HIS24 3.1 55.1 1.0
C4B f:HEM101 3.1 56.2 1.0
CE1 e:HIS23 3.1 62.2 1.0
CD2 f:HIS24 3.2 51.7 1.0
CHD f:HEM101 3.4 47.2 1.0
CHA f:HEM101 3.4 59.1 1.0
CHC f:HEM101 3.4 53.2 1.0
CHB f:HEM101 3.4 58.5 1.0
C2D f:HEM101 4.1 53.5 1.0
C3D f:HEM101 4.1 53.8 1.0
ND1 f:HIS24 4.2 55.7 1.0
C3C f:HEM101 4.2 52.2 1.0
ND1 e:HIS23 4.2 61.9 1.0
C2C f:HEM101 4.2 52.7 1.0
C2A f:HEM101 4.3 59.9 1.0
C3A f:HEM101 4.3 60.5 1.0
CG e:HIS23 4.3 63.2 1.0
CG f:HIS24 4.3 57.0 1.0
C2B f:HEM101 4.3 56.7 1.0
C3B f:HEM101 4.3 52.0 1.0
NE1 f:TRP20 4.9 59.5 1.0

Iron binding site 6 out of 6 in 8f4f

Go back to Iron Binding Sites List in 8f4f
Iron binding site 6 out of 6 in the Rt Xfel Structure of Photosystem II 500 Microseconds After the Third Illumination at 2.03 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 500 Microseconds After the Third Illumination at 2.03 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
v:Fe201

b:34.3
occ:1.00
FE v:HEC201 0.0 34.3 1.0
NC v:HEC201 2.0 36.6 1.0
NE2 v:HIS41 2.0 34.0 1.0
NB v:HEC201 2.0 33.9 1.0
ND v:HEC201 2.1 33.4 1.0
NA v:HEC201 2.1 31.1 1.0
NE2 v:HIS92 2.2 37.4 1.0
CE1 v:HIS41 2.9 33.7 1.0
CD2 v:HIS92 3.0 34.3 1.0
C1D v:HEC201 3.0 30.3 1.0
C1B v:HEC201 3.0 35.0 1.0
C4C v:HEC201 3.0 32.9 1.0
C4A v:HEC201 3.1 31.9 1.0
C1C v:HEC201 3.1 39.8 1.0
C4D v:HEC201 3.1 38.3 1.0
CD2 v:HIS41 3.1 34.0 1.0
C4B v:HEC201 3.1 34.6 1.0
C1A v:HEC201 3.2 32.5 1.0
CE1 v:HIS92 3.2 30.4 1.0
CHD v:HEC201 3.3 32.6 1.0
CHB v:HEC201 3.4 34.5 1.0
CHC v:HEC201 3.5 35.2 1.0
CHA v:HEC201 3.5 35.0 1.0
ND1 v:HIS41 4.1 36.4 1.0
CG v:HIS92 4.2 41.0 1.0
CG v:HIS41 4.2 33.5 1.0
C2D v:HEC201 4.2 32.3 1.0
C3C v:HEC201 4.3 34.9 1.0
C2B v:HEC201 4.3 36.6 1.0
ND1 v:HIS92 4.3 42.5 1.0
C2C v:HEC201 4.3 37.6 1.0
C3D v:HEC201 4.3 35.9 1.0
C3A v:HEC201 4.3 36.7 1.0
C3B v:HEC201 4.3 39.3 1.0
C2A v:HEC201 4.4 35.8 1.0
CE1 v:TYR75 4.9 37.4 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.
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