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Iron in PDB 9eh5: Structure of A Mutated Photosystem II Complex Reveals Changes to the Hydrogen-Bonding Network That Affect Proton Egress During O-O Bond Formation

Enzymatic activity of Structure of A Mutated Photosystem II Complex Reveals Changes to the Hydrogen-Bonding Network That Affect Proton Egress During O-O Bond Formation

All present enzymatic activity of Structure of A Mutated Photosystem II Complex Reveals Changes to the Hydrogen-Bonding Network That Affect Proton Egress During O-O Bond Formation:
1.10.3.9;

Other elements in 9eh5:

The structure of Structure of A Mutated Photosystem II Complex Reveals Changes to the Hydrogen-Bonding Network That Affect Proton Egress During O-O Bond Formation also contains other interesting chemical elements:

Chlorine (Cl) 4 atoms
Calcium (Ca) 8 atoms
Magnesium (Mg) 70 atoms
Manganese (Mn) 8 atoms

Iron Binding Sites:

The binding sites of Iron atom in the Structure of A Mutated Photosystem II Complex Reveals Changes to the Hydrogen-Bonding Network That Affect Proton Egress During O-O Bond Formation (pdb code 9eh5). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 6 binding sites of Iron where determined in the Structure of A Mutated Photosystem II Complex Reveals Changes to the Hydrogen-Bonding Network That Affect Proton Egress During O-O Bond Formation, PDB code: 9eh5:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6;

Iron binding site 1 out of 6 in 9eh5

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Iron binding site 1 out of 6 in the Structure of A Mutated Photosystem II Complex Reveals Changes to the Hydrogen-Bonding Network That Affect Proton Egress During O-O Bond Formation


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Structure of A Mutated Photosystem II Complex Reveals Changes to the Hydrogen-Bonding Network That Affect Proton Egress During O-O Bond Formation within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe402

b:29.1
occ:1.00
 NE2 A:HIS215 2.1 0.2 1.0
NE2 D:HIS214 2.2 0.1 1.0
O3 A:BCT416 2.3 18.0 1.0
O1 A:BCT416 2.3 8.5 1.0
NE2 A:HIS272 2.3 0.5 1.0
NE2 D:HIS268 2.5 0.1 1.0
C A:BCT416 2.6 13.4 1.0
CE1 A:HIS215 3.0 0.3 1.0
CE1 D:HIS214 3.1 0.1 1.0
CD2 A:HIS215 3.1 0.1 1.0
CD2 D:HIS214 3.2 0.1 1.0
CE1 A:HIS272 3.3 1.5 1.0
CD2 A:HIS272 3.3 0.2 1.0
CD2 D:HIS268 3.4 0.1 1.0
CE1 D:HIS268 3.6 0.2 1.0
O2 A:BCT416 3.8 16.1 1.0
ND1 A:HIS215 4.1 0.2 1.0
ND1 D:HIS214 4.2 0.0 1.0
CG A:HIS215 4.2 0.1 1.0
CG D:HIS214 4.3 0.0 1.0
ND1 A:HIS272 4.4 1.5 1.0
CG A:HIS272 4.5 0.5 1.0
OH D:TYR244 4.5 3.4 1.0
CG D:HIS268 4.6 0.1 1.0
ND1 D:HIS268 4.7 0.4 1.0
CG2 A:VAL219 4.8 0.3 1.0
OH A:TYR246 4.8 5.9 1.0
CG2 D:VAL218 4.9 0.1 1.0

Iron binding site 2 out of 6 in 9eh5

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Iron binding site 2 out of 6 in the Structure of A Mutated Photosystem II Complex Reveals Changes to the Hydrogen-Bonding Network That Affect Proton Egress During O-O Bond Formation


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Structure of A Mutated Photosystem II Complex Reveals Changes to the Hydrogen-Bonding Network That Affect Proton Egress During O-O Bond Formation within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Fe101

b:22.6
occ:1.00
 FE F:HEM101 0.0 22.6 1.0
ND F:HEM101 1.9 9.1 1.0
NE2 E:HIS23 2.0 9.4 1.0
NA F:HEM101 2.0 10.5 1.0
NC F:HEM101 2.1 9.9 1.0
NB F:HEM101 2.1 8.9 1.0
NE2 F:HIS23 2.2 13.8 1.0
C4D F:HEM101 2.8 8.1 1.0
C1D F:HEM101 2.9 9.6 1.0
CE1 E:HIS23 2.9 10.0 1.0
C1A F:HEM101 2.9 9.0 1.0
CD2 E:HIS23 3.0 11.2 1.0
C4A F:HEM101 3.0 8.9 1.0
C4C F:HEM101 3.0 11.5 1.0
CE1 F:HIS23 3.1 8.6 1.0
C1B F:HEM101 3.1 10.9 1.0
C4B F:HEM101 3.1 9.2 1.0
C1C F:HEM101 3.1 8.6 1.0
CD2 F:HIS23 3.2 12.4 1.0
CHA F:HEM101 3.3 9.9 1.0
CHD F:HEM101 3.4 9.1 1.0
CHB F:HEM101 3.5 9.2 1.0
CHC F:HEM101 3.5 7.3 1.0
ND1 E:HIS23 4.0 10.7 1.0
C3D F:HEM101 4.1 10.2 1.0
CG E:HIS23 4.1 11.3 1.0
C2D F:HEM101 4.1 8.3 1.0
C2A F:HEM101 4.1 9.7 1.0
C3A F:HEM101 4.1 9.2 1.0
ND1 F:HIS23 4.2 11.7 1.0
CG F:HIS23 4.3 11.4 1.0
C3C F:HEM101 4.3 10.2 1.0
C2C F:HEM101 4.3 9.2 1.0
C2B F:HEM101 4.3 10.0 1.0
C3B F:HEM101 4.3 8.9 1.0
CE1 E:TYR19 4.7 10.8 1.0
NE1 F:TRP19 5.0 9.0 1.0

Iron binding site 3 out of 6 in 9eh5

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Iron binding site 3 out of 6 in the Structure of A Mutated Photosystem II Complex Reveals Changes to the Hydrogen-Bonding Network That Affect Proton Egress During O-O Bond Formation


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Structure of A Mutated Photosystem II Complex Reveals Changes to the Hydrogen-Bonding Network That Affect Proton Egress During O-O Bond Formation within 5.0Å range:
probe atom residue distance (Å) B Occ
V:Fe201

b:17.7
occ:1.00
 FE V:HEM201 0.0 17.7 1.0
ND V:HEM201 1.9 5.9 1.0
NA V:HEM201 2.0 9.1 1.0
NC V:HEM201 2.1 7.3 1.0
NB V:HEM201 2.1 7.5 1.0
NE2 V:HIS117 2.1 6.9 1.0
NE2 V:HIS66 2.2 5.5 1.0
C4D V:HEM201 2.9 7.8 1.0
C1D V:HEM201 2.9 7.7 1.0
CD2 V:HIS117 2.9 6.1 1.0
C1A V:HEM201 2.9 6.5 1.0
C4C V:HEM201 3.0 6.8 1.0
CD2 V:HIS66 3.0 5.5 1.0
C4A V:HEM201 3.0 8.1 1.0
C4B V:HEM201 3.1 7.8 1.0
C1B V:HEM201 3.1 8.6 1.0
C1C V:HEM201 3.1 8.5 1.0
CE1 V:HIS117 3.2 11.1 1.0
CE1 V:HIS66 3.3 5.1 1.0
CHA V:HEM201 3.3 7.5 1.0
CHD V:HEM201 3.3 7.5 1.0
CHB V:HEM201 3.5 7.7 1.0
CHC V:HEM201 3.5 5.9 1.0
C3D V:HEM201 4.1 7.9 1.0
C2D V:HEM201 4.1 7.6 1.0
CG V:HIS117 4.1 8.5 1.0
C2A V:HEM201 4.1 7.6 1.0
C3A V:HEM201 4.2 6.8 1.0
CG V:HIS66 4.2 6.2 1.0
C3C V:HEM201 4.2 11.1 1.0
ND1 V:HIS117 4.2 11.2 1.0
C2C V:HEM201 4.3 8.4 1.0
C2B V:HEM201 4.3 10.9 1.0
C3B V:HEM201 4.3 7.5 1.0
ND1 V:HIS66 4.3 7.2 1.0
CE2 V:PHE100 4.8 6.5 1.0

Iron binding site 4 out of 6 in 9eh5

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Iron binding site 4 out of 6 in the Structure of A Mutated Photosystem II Complex Reveals Changes to the Hydrogen-Bonding Network That Affect Proton Egress During O-O Bond Formation


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Structure of A Mutated Photosystem II Complex Reveals Changes to the Hydrogen-Bonding Network That Affect Proton Egress During O-O Bond Formation within 5.0Å range:
probe atom residue distance (Å) B Occ
a:Fe402

b:29.1
occ:1.00
 NE2 a:HIS215 2.1 0.2 1.0
NE2 d:HIS214 2.2 0.1 1.0
O3 a:BCT416 2.3 18.0 1.0
O1 a:BCT416 2.3 8.5 1.0
NE2 a:HIS272 2.3 0.5 1.0
NE2 d:HIS268 2.5 0.1 1.0
C a:BCT416 2.6 13.4 1.0
CE1 a:HIS215 3.0 0.3 1.0
CE1 d:HIS214 3.1 0.1 1.0
CD2 a:HIS215 3.1 0.1 1.0
CD2 d:HIS214 3.2 0.1 1.0
CE1 a:HIS272 3.2 1.5 1.0
CD2 a:HIS272 3.3 0.2 1.0
CD2 d:HIS268 3.4 0.1 1.0
CE1 d:HIS268 3.6 0.2 1.0
O2 a:BCT416 3.8 16.1 1.0
ND1 a:HIS215 4.1 0.2 1.0
ND1 d:HIS214 4.2 0.0 1.0
CG a:HIS215 4.2 0.1 1.0
CG d:HIS214 4.3 0.0 1.0
ND1 a:HIS272 4.4 1.5 1.0
CG a:HIS272 4.5 0.5 1.0
OH d:TYR244 4.5 3.4 1.0
CG d:HIS268 4.6 0.1 1.0
ND1 d:HIS268 4.7 0.4 1.0
CG2 a:VAL219 4.8 0.3 1.0
OH a:TYR246 4.8 5.9 1.0
CG2 d:VAL218 4.9 0.1 1.0

Iron binding site 5 out of 6 in 9eh5

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Iron binding site 5 out of 6 in the Structure of A Mutated Photosystem II Complex Reveals Changes to the Hydrogen-Bonding Network That Affect Proton Egress During O-O Bond Formation


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Structure of A Mutated Photosystem II Complex Reveals Changes to the Hydrogen-Bonding Network That Affect Proton Egress During O-O Bond Formation within 5.0Å range:
probe atom residue distance (Å) B Occ
f:Fe101

b:22.6
occ:1.00
 FE f:HEM101 0.0 22.6 1.0
ND f:HEM101 1.9 9.1 1.0
NE2 e:HIS23 2.0 9.4 1.0
NA f:HEM101 2.0 10.5 1.0
NC f:HEM101 2.1 9.9 1.0
NB f:HEM101 2.1 8.9 1.0
NE2 f:HIS23 2.2 13.8 1.0
C4D f:HEM101 2.8 8.1 1.0
C1D f:HEM101 2.9 9.6 1.0
CE1 e:HIS23 2.9 10.0 1.0
C1A f:HEM101 2.9 9.0 1.0
CD2 e:HIS23 3.0 11.2 1.0
C4A f:HEM101 3.0 8.9 1.0
C4C f:HEM101 3.0 11.5 1.0
C1B f:HEM101 3.1 10.9 1.0
CE1 f:HIS23 3.1 8.6 1.0
C4B f:HEM101 3.1 9.2 1.0
C1C f:HEM101 3.1 8.6 1.0
CD2 f:HIS23 3.2 12.4 1.0
CHA f:HEM101 3.3 9.9 1.0
CHD f:HEM101 3.4 9.1 1.0
CHB f:HEM101 3.5 9.2 1.0
CHC f:HEM101 3.5 7.3 1.0
ND1 e:HIS23 4.0 10.7 1.0
C3D f:HEM101 4.1 10.2 1.0
CG e:HIS23 4.1 11.3 1.0
C2D f:HEM101 4.1 8.3 1.0
C2A f:HEM101 4.1 9.7 1.0
C3A f:HEM101 4.1 9.2 1.0
ND1 f:HIS23 4.2 11.7 1.0
CG f:HIS23 4.3 11.4 1.0
C3C f:HEM101 4.3 10.2 1.0
C2C f:HEM101 4.3 9.2 1.0
C2B f:HEM101 4.3 10.0 1.0
C3B f:HEM101 4.3 8.9 1.0
CE1 e:TYR19 4.7 10.8 1.0
NE1 f:TRP19 5.0 9.0 1.0

Iron binding site 6 out of 6 in 9eh5

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Iron binding site 6 out of 6 in the Structure of A Mutated Photosystem II Complex Reveals Changes to the Hydrogen-Bonding Network That Affect Proton Egress During O-O Bond Formation


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Structure of A Mutated Photosystem II Complex Reveals Changes to the Hydrogen-Bonding Network That Affect Proton Egress During O-O Bond Formation within 5.0Å range:
probe atom residue distance (Å) B Occ
v:Fe201

b:17.7
occ:1.00
 FE v:HEM201 0.0 17.7 1.0
ND v:HEM201 1.9 5.9 1.0
NA v:HEM201 2.0 9.1 1.0
NC v:HEM201 2.1 7.3 1.0
NB v:HEM201 2.1 7.5 1.0
NE2 v:HIS117 2.1 6.9 1.0
NE2 v:HIS66 2.2 5.5 1.0
C4D v:HEM201 2.9 7.8 1.0
C1D v:HEM201 2.9 7.7 1.0
CD2 v:HIS117 2.9 6.1 1.0
C1A v:HEM201 2.9 6.5 1.0
C4C v:HEM201 3.0 6.8 1.0
CD2 v:HIS66 3.0 5.5 1.0
C4A v:HEM201 3.0 8.1 1.0
C4B v:HEM201 3.1 7.8 1.0
C1B v:HEM201 3.1 8.6 1.0
C1C v:HEM201 3.1 8.5 1.0
CE1 v:HIS117 3.2 11.1 1.0
CE1 v:HIS66 3.3 5.1 1.0
CHA v:HEM201 3.3 7.5 1.0
CHD v:HEM201 3.3 7.5 1.0
CHB v:HEM201 3.5 7.7 1.0
CHC v:HEM201 3.5 5.9 1.0
C3D v:HEM201 4.1 7.9 1.0
C2D v:HEM201 4.1 7.6 1.0
CG v:HIS117 4.1 8.5 1.0
C2A v:HEM201 4.1 7.6 1.0
C3A v:HEM201 4.2 6.8 1.0
CG v:HIS66 4.2 6.2 1.0
C3C v:HEM201 4.2 11.1 1.0
ND1 v:HIS117 4.2 11.2 1.0
C2C v:HEM201 4.3 8.4 1.0
C2B v:HEM201 4.3 10.9 1.0
C3B v:HEM201 4.3 7.5 1.0
ND1 v:HIS66 4.3 7.2 1.0
CE2 v:PHE100 4.8 6.5 1.0

Reference:

D.A.Flesher, J.Shin, R.J.Debus, G.W.Brudvig. Structure of A Mutated Photosystem II Complex Reveals Changes to the Hydrogen-Bonding Network That Affect Proton Egress During O-O Bond Formation. J.Biol.Chem. 08272 2025.
ISSN: ESSN 1083-351X
PubMed: 39922494
DOI: 10.1016/J.JBC.2025.108272
Page generated: Fri Aug 8 04:08:43 2025

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