Iron in PDB 2axt: Crystal Structure of Photosystem II From Thermosynechococcus Elongatus

The structure of Crystal Structure of Photosystem II From Thermosynechococcus Elongatus, PDB code: 2axt was solved by B.Loll, J.Kern, W.Saenger, A.Zouni, J.Biesiadka, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	10.00 / 3.00
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	127.692, 225.403, 306.106, 90.00, 90.00, 90.00
R / Rfree (%)	23.4 / 28.6

The structure of Crystal Structure of Photosystem II From Thermosynechococcus Elongatus also contains other interesting chemical elements:

Manganese	(Mn)	8 atoms
Magnesium	(Mg)	70 atoms
Calcium	(Ca)	4 atoms
Neon	(Ne)	4 atoms

The binding sites of Iron atom in the Crystal Structure of Photosystem II From Thermosynechococcus Elongatus (pdb code 2axt). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 6 binding sites of Iron where determined in the Crystal Structure of Photosystem II From Thermosynechococcus Elongatus, PDB code: 2axt:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6;

Iron binding site 1 out of 6 in the Crystal Structure of Photosystem II From Thermosynechococcus Elongatus


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structure of Photosystem II From Thermosynechococcus Elongatus within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe557 b:60.3 occ:1.00 NE2 A:HIS215 1.9 63.3 1.0 NE2 D:HIS214 2.2 61.6 1.0 NE2 D:HIS268 2.3 60.0 1.0 O2 D:BCT353 2.3 72.6 1.0 O3 D:BCT353 2.3 73.6 1.0 NE2 A:HIS272 2.4 53.8 1.0 C D:BCT353 2.7 74.0 1.0 CD2 A:HIS215 2.9 64.2 1.0 CE1 A:HIS215 2.9 62.2 1.0 CE1 A:HIS272 3.1 55.2 1.0 CE1 D:HIS268 3.1 60.4 1.0 CE1 D:HIS214 3.2 62.3 1.0 CD2 D:HIS214 3.2 61.7 1.0 CD2 D:HIS268 3.3 60.4 1.0 CD2 A:HIS272 3.5 55.8 1.0 ND1 A:HIS215 3.9 62.9 1.0 CG A:HIS215 4.0 63.0 1.0 O1 D:BCT353 4.1 73.8 1.0 ND1 D:HIS268 4.3 60.8 1.0 ND1 A:HIS272 4.3 55.6 1.0 ND1 D:HIS214 4.3 62.1 1.0 CG D:HIS214 4.4 62.5 1.0 CG D:HIS268 4.4 60.8 1.0 CG A:HIS272 4.5 55.9 1.0 CG2 A:VAL219 4.8 61.1 1.0 CG2 D:VAL218 4.9 58.4 1.0 OH D:TYR244 5.0 67.8 1.0

Iron binding site 2 out of 6 in the Crystal Structure of Photosystem II From Thermosynechococcus Elongatus


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystal Structure of Photosystem II From Thermosynechococcus Elongatus within 5.0Å range: probe atom residue distance (Å) B Occ F:Fe51 b:82.8 occ:1.00 FE F:HEM51 0.0 82.8 1.0 NE2 E:HIS23 2.0 83.0 1.0 ND F:HEM51 2.0 83.5 1.0 NC F:HEM51 2.1 83.6 1.0 NA F:HEM51 2.1 84.9 1.0 NB F:HEM51 2.1 83.8 1.0 NE2 F:HIS24 2.4 77.2 1.0 CE1 F:HIS24 2.8 77.8 1.0 CD2 E:HIS23 3.0 82.1 1.0 C4D F:HEM51 3.0 84.7 1.0 CE1 E:HIS23 3.0 83.3 1.0 C1D F:HEM51 3.0 84.4 1.0 C4C F:HEM51 3.1 83.0 1.0 C1C F:HEM51 3.1 83.4 1.0 C4A F:HEM51 3.1 86.3 1.0 C1A F:HEM51 3.1 85.8 1.0 C4B F:HEM51 3.1 83.6 1.0 C1B F:HEM51 3.1 84.3 1.0 CHD F:HEM51 3.4 83.4 1.0 CHA F:HEM51 3.4 85.2 1.0 CHC F:HEM51 3.5 83.7 1.0 CHB F:HEM51 3.5 86.2 1.0 CD2 F:HIS24 3.6 76.9 1.0 ND1 F:HIS24 3.9 76.7 1.0 ND1 E:HIS23 4.1 83.9 1.0 CG E:HIS23 4.1 82.2 1.0 C3D F:HEM51 4.3 85.5 1.0 C2D F:HEM51 4.3 85.5 1.0 C3A F:HEM51 4.3 87.5 1.0 C2A F:HEM51 4.3 87.7 1.0 C2C F:HEM51 4.4 83.0 1.0 CG F:HIS24 4.4 76.0 1.0 C3C F:HEM51 4.4 82.3 1.0 C2B F:HEM51 4.4 84.0 1.0 C3B F:HEM51 4.4 83.6 1.0 NE1 F:TRP20 4.8 63.1 1.0 OH E:TYR19 4.9 73.3 1.0 CE2 E:TYR19 5.0 73.7 1.0

Iron binding site 3 out of 6 in the Crystal Structure of Photosystem II From Thermosynechococcus Elongatus


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Crystal Structure of Photosystem II From Thermosynechococcus Elongatus within 5.0Å range: probe atom residue distance (Å) B Occ V:Fe552 b:37.1 occ:1.00 FE V:HEM552 0.0 37.1 1.0 ND V:HEM552 2.0 54.8 1.0 NA V:HEM552 2.0 53.5 1.0 NE2 V:HIS67 2.1 42.3 1.0 NB V:HEM552 2.1 54.1 1.0 NC V:HEM552 2.1 55.1 1.0 NE2 V:HIS118 2.1 56.4 1.0 CD2 V:HIS118 2.9 56.6 1.0 CE1 V:HIS67 3.0 42.8 1.0 C4D V:HEM552 3.0 55.0 1.0 C4A V:HEM552 3.0 54.5 1.0 C1D V:HEM552 3.1 54.7 1.0 C4B V:HEM552 3.1 53.0 1.0 C1A V:HEM552 3.1 54.4 1.0 C1C V:HEM552 3.1 54.6 1.0 C1B V:HEM552 3.1 53.4 1.0 C4C V:HEM552 3.1 54.4 1.0 CD2 V:HIS67 3.1 44.4 1.0 CE1 V:HIS118 3.2 56.2 1.0 CHB V:HEM552 3.4 52.4 1.0 CHD V:HEM552 3.4 53.0 1.0 CHC V:HEM552 3.4 53.0 1.0 CHA V:HEM552 3.5 54.3 1.0 CG V:HIS118 4.1 56.5 1.0 ND1 V:HIS67 4.1 44.1 1.0 ND1 V:HIS118 4.2 56.7 1.0 CG V:HIS67 4.2 45.2 1.0 C3D V:HEM552 4.2 54.3 1.0 C2D V:HEM552 4.3 54.1 1.0 C3A V:HEM552 4.3 54.7 1.0 C2A V:HEM552 4.3 53.9 1.0 C2B V:HEM552 4.3 52.0 1.0 C3B V:HEM552 4.3 52.6 1.0 C2C V:HEM552 4.4 54.1 1.0 C3C V:HEM552 4.4 53.7 1.0

Iron binding site 4 out of 6 in the Crystal Structure of Photosystem II From Thermosynechococcus Elongatus


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Crystal Structure of Photosystem II From Thermosynechococcus Elongatus within 5.0Å range: probe atom residue distance (Å) B Occ a:Fe5557 b:75.1 occ:1.00 NE2 a:HIS5215 1.9 69.1 1.0 NE2 d:HIS5214 2.2 65.8 1.0 NE2 d:HIS5268 2.3 63.4 1.0 O3 d:BCT5353 2.3 76.9 1.0 O2 d:BCT5353 2.3 75.8 1.0 NE2 a:HIS5272 2.4 66.8 1.0 C d:BCT5353 2.7 77.8 1.0 CE1 a:HIS5215 2.9 68.5 1.0 CD2 a:HIS5215 2.9 68.8 1.0 CE1 d:HIS5268 3.1 62.9 1.0 CE1 a:HIS5272 3.1 67.0 1.0 CE1 d:HIS5214 3.2 65.7 1.0 CD2 d:HIS5214 3.2 65.4 1.0 CD2 d:HIS5268 3.3 64.0 1.0 CD2 a:HIS5272 3.5 67.9 1.0 ND1 a:HIS5215 4.0 68.8 1.0 CG a:HIS5215 4.0 69.0 1.0 O1 d:BCT5353 4.1 75.6 1.0 ND1 d:HIS5268 4.2 63.7 1.0 ND1 d:HIS5214 4.3 65.6 1.0 ND1 a:HIS5272 4.3 66.6 1.0 CG d:HIS5214 4.3 66.1 1.0 CG d:HIS5268 4.4 64.5 1.0 CG a:HIS5272 4.5 67.0 1.0 CG2 a:VAL5219 4.8 65.3 1.0 CG2 d:VAL5218 4.9 59.0 1.0 OH d:TYR5244 4.9 77.0 1.0

Iron binding site 5 out of 6 in the Crystal Structure of Photosystem II From Thermosynechococcus Elongatus


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Crystal Structure of Photosystem II From Thermosynechococcus Elongatus within 5.0Å range: probe atom residue distance (Å) B Occ f:Fe5051 b:84.8 occ:1.00 FE f:HEM5051 0.0 84.8 1.0 ND f:HEM5051 2.0 84.3 1.0 NC f:HEM5051 2.1 83.9 1.0 NE2 e:HIS5023 2.1 82.8 1.0 NA f:HEM5051 2.1 87.0 1.0 NB f:HEM5051 2.1 84.9 1.0 NE2 f:HIS5024 2.3 80.4 1.0 CE1 f:HIS5024 2.7 80.8 1.0 C4D f:HEM5051 3.0 86.1 1.0 CD2 e:HIS5023 3.0 82.1 1.0 C1D f:HEM5051 3.0 84.2 1.0 C4C f:HEM5051 3.1 83.5 1.0 C1C f:HEM5051 3.1 83.5 1.0 CE1 e:HIS5023 3.1 82.3 1.0 C4B f:HEM5051 3.1 84.5 1.0 C4A f:HEM5051 3.1 87.4 1.0 C1A f:HEM5051 3.1 88.8 1.0 C1B f:HEM5051 3.1 84.1 1.0 CHD f:HEM5051 3.4 84.1 1.0 CHC f:HEM5051 3.4 84.3 1.0 CHA f:HEM5051 3.5 87.8 1.0 CHB f:HEM5051 3.5 85.2 1.0 CD2 f:HIS5024 3.5 80.2 1.0 ND1 f:HIS5024 3.9 80.8 1.0 ND1 e:HIS5023 4.2 82.6 1.0 CG e:HIS5023 4.2 82.3 1.0 C3D f:HEM5051 4.2 86.2 1.0 C2D f:HEM5051 4.3 84.8 1.0 CG f:HIS5024 4.3 79.6 1.0 C2C f:HEM5051 4.3 83.0 1.0 C3C f:HEM5051 4.3 82.8 1.0 C3A f:HEM5051 4.3 89.1 1.0 C2A f:HEM5051 4.4 90.8 1.0 C3B f:HEM5051 4.4 84.3 1.0 C2B f:HEM5051 4.4 84.0 1.0 NE1 f:TRP5020 4.7 81.3 1.0 OH e:TYR5019 5.0 89.9 1.0

Iron binding site 6 out of 6 in the Crystal Structure of Photosystem II From Thermosynechococcus Elongatus


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Crystal Structure of Photosystem II From Thermosynechococcus Elongatus within 5.0Å range: probe atom residue distance (Å) B Occ v:Fe5552 b:70.1 occ:1.00 FE v:HEM5552 0.0 70.1 1.0 ND v:HEM5552 2.0 67.0 1.0 NA v:HEM5552 2.0 66.8 1.0 NB v:HEM5552 2.1 68.2 1.0 NC v:HEM5552 2.1 68.5 1.0 NE2 v:HIS5067 2.1 61.9 1.0 NE2 v:HIS5118 2.2 60.8 1.0 CD2 v:HIS5118 2.9 61.7 1.0 C4D v:HEM5552 3.0 67.0 1.0 CE1 v:HIS5067 3.0 62.4 1.0 C4A v:HEM5552 3.0 67.6 1.0 C1D v:HEM5552 3.1 67.6 1.0 C1B v:HEM5552 3.1 68.2 1.0 C1A v:HEM5552 3.1 67.6 1.0 C4B v:HEM5552 3.1 68.5 1.0 C1C v:HEM5552 3.1 69.2 1.0 C4C v:HEM5552 3.1 69.3 1.0 CE1 v:HIS5118 3.2 59.8 1.0 CD2 v:HIS5067 3.2 61.4 1.0 CHB v:HEM5552 3.4 68.8 1.0 CHD v:HEM5552 3.4 69.6 1.0 CHC v:HEM5552 3.4 69.0 1.0 CHA v:HEM5552 3.5 68.7 1.0 CG v:HIS5118 4.0 62.9 1.0 ND1 v:HIS5118 4.1 61.5 1.0 ND1 v:HIS5067 4.2 62.1 1.0 C3D v:HEM5552 4.3 67.0 1.0 C3A v:HEM5552 4.3 67.2 1.0 C2D v:HEM5552 4.3 67.3 1.0 CG v:HIS5067 4.3 61.1 1.0 C2A v:HEM5552 4.3 67.2 1.0 C2B v:HEM5552 4.3 69.1 1.0 C3B v:HEM5552 4.4 68.9 1.0 C2C v:HEM5552 4.4 70.5 1.0 C3C v:HEM5552 4.4 70.1 1.0

B.Loll, J.Kern, W.Saenger, A.Zouni, J.Biesiadka. Towards Complete Cofactor Arrangement in the 3.0 A Resolution Structure of Photosystem II Nature V. 438 1040 2005.
ISSN: ISSN 0028-0836
PubMed: 16355230
DOI: 10.1038/NATURE04224