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Chlorine in PDB 8f4d: Rt Xfel Structure of Photosystem II 50 Microseconds After the Third Illumination at 2.15 Angstrom Resolution

Enzymatic activity of Rt Xfel Structure of Photosystem II 50 Microseconds After the Third Illumination at 2.15 Angstrom Resolution

All present enzymatic activity of Rt Xfel Structure of Photosystem II 50 Microseconds After the Third Illumination at 2.15 Angstrom Resolution:
1.10.3.9;

Protein crystallography data

The structure of Rt Xfel Structure of Photosystem II 50 Microseconds After the Third Illumination at 2.15 Angstrom Resolution, PDB code: 8f4d 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) 33.74 / 2.15
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 117.103, 222.196, 308.415, 90, 90, 90
R / Rfree (%) 18.8 / 24.3

Other elements in 8f4d:

The structure of Rt Xfel Structure of Photosystem II 50 Microseconds After the Third Illumination at 2.15 Angstrom Resolution also contains other interesting chemical elements:

Manganese (Mn) 16 atoms
Calcium (Ca) 4 atoms
Magnesium (Mg) 70 atoms
Iron (Fe) 6 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Rt Xfel Structure of Photosystem II 50 Microseconds After the Third Illumination at 2.15 Angstrom Resolution (pdb code 8f4d). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Rt Xfel Structure of Photosystem II 50 Microseconds After the Third Illumination at 2.15 Angstrom Resolution, PDB code: 8f4d:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 8f4d

Go back to Chlorine Binding Sites List in 8f4d
Chlorine binding site 1 out of 4 in the Rt Xfel Structure of Photosystem II 50 Microseconds After the Third Illumination at 2.15 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Rt Xfel Structure of Photosystem II 50 Microseconds After the Third Illumination at 2.15 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl604

b:36.9
occ:1.00
 O D:HOH576 3.0 35.4 1.0
NZ D:LYS317 3.2 33.4 1.0
N A:GLU333 3.2 35.2 0.3
O A:HOH727 3.2 30.1 1.0
OD1 A:ASN181 3.3 34.1 0.7
N A:GLU333 3.3 31.6 0.7
OD1 A:ASN181 3.6 34.7 0.3
CA A:HIS332 3.7 37.5 0.3
CB A:HIS332 3.7 41.5 0.3
CA A:HIS332 3.7 34.1 0.7
CB A:HIS332 3.8 33.5 0.7
CE D:LYS317 3.8 33.9 1.0
CG A:GLU333 3.8 30.7 0.3
CG A:GLU333 3.9 30.9 0.7
C A:HIS332 4.0 31.9 0.3
C A:HIS332 4.0 30.9 0.7
ND2 A:ASN181 4.1 35.3 0.3
CG A:ASN181 4.2 30.6 0.7
O A:HOH714 4.2 33.3 1.0
ND2 A:ASN181 4.2 29.6 0.7
CA A:GLU333 4.2 30.5 0.3
CG A:ASN181 4.2 26.2 0.3
CA A:GLU333 4.3 31.6 0.7
CG2 A:VAL185 4.3 24.4 0.3
CG2 A:VAL185 4.3 27.9 0.7
CB D:LYS317 4.4 32.3 1.0
CD2 D:LEU321 4.5 24.6 1.0
CD1 D:LEU321 4.6 24.9 1.0
O A:HOH766 4.6 33.1 1.0
CB A:GLU333 4.6 28.6 0.3
CG D:LYS317 4.7 35.5 1.0
CB A:GLU333 4.7 29.8 0.7
CG A:HIS332 4.8 31.3 0.7
CG A:HIS332 4.8 33.8 0.3
CG D:LEU321 4.8 32.3 1.0
CD A:GLU333 4.9 31.9 0.3
CD D:LYS317 4.9 31.8 1.0
CD A:GLU333 4.9 33.3 0.7
OE2 A:GLU333 5.0 36.5 0.3
O D:HOH513 5.0 34.1 1.0

Chlorine binding site 2 out of 4 in 8f4d

Go back to Chlorine Binding Sites List in 8f4d
Chlorine binding site 2 out of 4 in the Rt Xfel Structure of Photosystem II 50 Microseconds After the Third Illumination at 2.15 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Rt Xfel Structure of Photosystem II 50 Microseconds After the Third Illumination at 2.15 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl605

b:36.7
occ:1.00
 O A:HOH732 3.0 35.6 1.0
N A:ASN338 3.0 38.5 0.7
N A:ASN338 3.1 33.9 0.3
O C:HOH651 3.2 28.8 1.0
N C:GLU354 3.4 38.4 0.3
N C:GLU354 3.4 33.4 0.7
CA A:HIS337 3.5 34.4 0.3
N A:PHE339 3.6 37.0 0.7
N A:PHE339 3.6 30.0 0.3
CA A:HIS337 3.6 33.3 0.7
CD2 A:PHE339 3.7 36.3 0.7
C A:HIS337 3.7 31.3 0.3
CA C:GLY353 3.8 30.4 0.7
CD2 A:PHE339 3.8 34.4 0.3
CA C:GLY353 3.8 33.0 0.3
C A:HIS337 3.8 34.4 0.7
CA A:ASN338 4.0 33.6 0.7
CB A:HIS337 4.0 31.1 0.3
CA A:ASN338 4.1 27.0 0.3
C C:GLY353 4.1 32.3 0.7
C C:GLY353 4.1 32.5 0.3
O A:ALA336 4.2 36.0 0.7
CB A:ASN338 4.2 37.0 0.7
CB A:PHE339 4.2 38.6 0.3
C A:ASN338 4.2 36.3 0.7
CB A:HIS337 4.2 32.3 0.7
CB C:GLU354 4.3 43.5 0.3
C A:ASN338 4.3 27.5 0.3
O A:ALA336 4.3 34.5 0.3
CB C:GLU354 4.3 31.1 0.7
CG A:PHE339 4.3 34.4 0.3
CB A:PHE339 4.4 36.0 0.7
CG A:PHE339 4.4 36.5 0.7
O C:HOH647 4.4 29.8 1.0
CA C:GLU354 4.4 38.8 0.3
CE2 A:PHE339 4.4 30.2 0.7
CA A:PHE339 4.4 33.1 0.3
CA C:GLU354 4.4 34.0 0.7
O A:PHE339 4.4 36.1 0.3
O A:PHE339 4.5 37.9 0.7
CB A:ASN338 4.5 37.4 0.3
CA A:PHE339 4.5 40.2 0.7
CE2 A:PHE339 4.6 37.7 0.3
N A:HIS337 4.7 32.6 0.3
O A:HOH787 4.7 40.5 1.0
N A:HIS337 4.8 32.6 0.7
CG A:HIS337 4.8 31.4 0.3
C A:PHE339 4.9 36.1 0.3
CD2 A:HIS337 4.9 30.3 0.3
CG C:GLU354 4.9 31.0 0.7
C A:ALA336 4.9 34.5 0.7
C A:ALA336 4.9 31.4 0.3
O A:HIS337 4.9 30.3 0.3
C A:PHE339 4.9 35.7 0.7
O C:GLY352 4.9 34.9 1.0
N C:THR355 4.9 30.8 0.7
N C:THR355 5.0 33.2 0.3
CG C:GLU354 5.0 37.1 0.3
CG A:ASN338 5.0 35.1 0.7

Chlorine binding site 3 out of 4 in 8f4d

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Chlorine binding site 3 out of 4 in the Rt Xfel Structure of Photosystem II 50 Microseconds After the Third Illumination at 2.15 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Rt Xfel Structure of Photosystem II 50 Microseconds After the Third Illumination at 2.15 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
a:Cl604

b:38.9
occ:1.00
 O d:HOH537 3.0 34.2 1.0
O a:HOH766 3.1 25.3 1.0
OD1 a:ASN181 3.3 31.9 0.7
OD1 a:ASN181 3.3 35.7 0.3
N a:GLU333 3.4 29.0 0.7
N a:GLU333 3.4 36.0 0.3
NZ d:LYS317 3.4 29.9 1.0
CB a:HIS332 3.7 28.3 0.3
CA a:HIS332 3.7 31.1 0.7
CA a:HIS332 3.7 28.9 0.3
CB a:HIS332 3.7 28.9 0.7
CG a:GLU333 3.8 33.7 0.3
CD2 d:LEU321 4.0 29.1 1.0
CG a:GLU333 4.0 28.8 0.7
C a:HIS332 4.0 30.9 0.7
C a:HIS332 4.0 28.3 0.3
CE d:LYS317 4.1 34.0 1.0
CG2 a:VAL185 4.2 28.4 0.7
CD1 d:LEU321 4.2 34.7 1.0
CG a:ASN181 4.2 30.9 0.3
CG2 a:VAL185 4.2 32.3 0.3
ND2 a:ASN181 4.2 28.7 0.3
CG a:ASN181 4.3 31.6 0.7
O a:HOH775 4.3 36.6 1.0
O d:HOH528 4.3 26.7 1.0
CA a:GLU333 4.3 31.2 0.3
CA a:GLU333 4.3 29.4 0.7
CB d:LYS317 4.4 27.1 1.0
ND2 a:ASN181 4.4 32.2 0.7
CG a:HIS332 4.6 32.9 0.3
CB a:GLU333 4.7 30.6 0.3
CG d:LEU321 4.7 30.2 1.0
CG a:HIS332 4.7 29.6 0.7
CB a:GLU333 4.8 28.2 0.7
O d:LYS317 4.8 30.3 1.0
CD a:GLU333 4.9 33.6 0.3
CD2 a:HIS332 4.9 33.2 0.3
CG d:LYS317 4.9 24.5 1.0
OE2 a:GLU333 5.0 39.9 0.3
CD2 a:HIS332 5.0 32.4 0.7
N a:HIS332 5.0 26.0 0.7

Chlorine binding site 4 out of 4 in 8f4d

Go back to Chlorine Binding Sites List in 8f4d
Chlorine binding site 4 out of 4 in the Rt Xfel Structure of Photosystem II 50 Microseconds After the Third Illumination at 2.15 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Rt Xfel Structure of Photosystem II 50 Microseconds After the Third Illumination at 2.15 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
a:Cl605

b:38.1
occ:1.00
 N a:ASN338 3.1 31.1 0.7
N a:ASN338 3.1 38.2 0.3
O a:HOH738 3.1 34.4 1.0
O c:HOH673 3.1 30.3 1.0
N c:GLU354 3.4 32.8 0.7
N a:PHE339 3.5 27.6 0.7
N c:GLU354 3.5 30.9 0.3
CA a:HIS337 3.6 34.5 0.3
CA a:HIS337 3.6 27.7 0.7
N a:PHE339 3.6 27.4 0.3
CD2 a:PHE339 3.7 37.5 0.3
C a:HIS337 3.8 39.4 0.3
C a:HIS337 3.8 31.4 0.7
CD2 a:PHE339 3.9 32.4 0.7
CA c:GLY353 3.9 30.8 0.7
CA c:GLY353 3.9 28.1 0.3
CB a:HIS337 4.0 27.8 0.7
CA a:ASN338 4.1 27.9 0.7
CA a:ASN338 4.1 33.4 0.3
CB a:HIS337 4.1 37.2 0.3
CB a:PHE339 4.1 28.9 0.7
C c:GLY353 4.2 32.3 0.7
O a:ALA336 4.2 35.5 0.3
O a:PHE339 4.2 34.1 0.7
C c:GLY353 4.2 28.8 0.3
CB c:GLU354 4.2 29.8 0.7
C a:ASN338 4.2 27.1 0.7
CB a:PHE339 4.2 36.7 0.3
CA a:PHE339 4.3 31.6 0.7
C a:ASN338 4.3 35.8 0.3
O a:ALA336 4.3 36.0 0.7
CG a:PHE339 4.3 40.7 0.3
CB c:GLU354 4.3 38.5 0.3
CG a:PHE339 4.4 32.6 0.7
CA c:GLU354 4.4 28.9 0.7
CB a:ASN338 4.4 31.7 0.3
CB a:ASN338 4.4 29.0 0.7
O a:PHE339 4.4 38.6 0.3
CA a:PHE339 4.4 34.5 0.3
CE2 a:PHE339 4.5 37.9 0.3
CA c:GLU354 4.5 36.0 0.3
O c:HOH636 4.6 30.2 1.0
CG c:GLU354 4.7 30.1 0.3
O c:HOH698 4.7 31.3 1.0
N a:HIS337 4.7 37.7 0.3
C a:PHE339 4.7 31.6 0.7
CE2 a:PHE339 4.7 30.7 0.7
N a:HIS337 4.8 31.9 0.7
CD2 a:HIS337 4.8 33.9 0.7
O a:HOH762 4.8 32.6 1.0
CG a:HIS337 4.8 31.1 0.7
C a:PHE339 4.9 28.7 0.3
N c:THR355 4.9 28.7 0.7
CG a:HIS337 4.9 35.0 0.3
C a:ALA336 4.9 39.6 0.3
O c:GLY352 4.9 27.6 1.0
N c:THR355 5.0 32.1 0.3
CD2 a:HIS337 5.0 36.4 0.3
CG a:ASN338 5.0 37.5 0.3

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: Sun Jul 13 11:11:47 2025

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