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Iron in PDB 8gn2: Crystal Structure of Ppbq-Bound Photosystem II Complex

Enzymatic activity of Crystal Structure of Ppbq-Bound Photosystem II Complex

All present enzymatic activity of Crystal Structure of Ppbq-Bound Photosystem II Complex:
1.10.3.9;

Protein crystallography data

The structure of Crystal Structure of Ppbq-Bound Photosystem II Complex, PDB code: 8gn2 was solved by S.Kamada, Y.Nakajima, J.-R.Shen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 49.22 / 1.95
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 124.018, 229.579, 287.18, 90, 90, 90
R / Rfree (%) 15.3 / 18.1

Other elements in 8gn2:

The structure of Crystal Structure of Ppbq-Bound Photosystem II Complex also contains other interesting chemical elements:

Calcium (Ca) 9 atoms
Chlorine (Cl) 4 atoms
Manganese (Mn) 8 atoms
Magnesium (Mg) 72 atoms

Iron Binding Sites:

The binding sites of Iron atom in the Crystal Structure of Ppbq-Bound Photosystem II Complex (pdb code 8gn2). 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 Ppbq-Bound Photosystem II Complex, PDB code: 8gn2:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6;

Iron binding site 1 out of 6 in 8gn2

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Iron binding site 1 out of 6 in the Crystal Structure of Ppbq-Bound Photosystem II Complex


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 Ppbq-Bound Photosystem II Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe402

b:39.2
occ:1.00
NE2 D:HIS214 2.1 35.1 1.0
NE2 A:HIS215 2.2 42.4 1.0
O2 A:BCT423 2.2 38.6 1.0
O3 A:BCT423 2.3 39.5 1.0
NE2 D:HIS268 2.3 38.8 1.0
NE2 A:HIS272 2.3 39.0 1.0
C A:BCT423 2.6 48.6 1.0
CE1 A:HIS215 3.0 40.4 1.0
CE1 D:HIS214 3.1 35.6 1.0
CD2 D:HIS214 3.1 31.9 1.0
CE1 A:HIS272 3.2 40.2 1.0
CE1 D:HIS268 3.2 39.1 1.0
CD2 A:HIS215 3.3 34.3 1.0
CD2 D:HIS268 3.3 34.0 1.0
CD2 A:HIS272 3.4 40.0 1.0
O1 A:BCT423 3.8 52.2 1.0
ND1 A:HIS215 4.2 39.4 1.0
ND1 D:HIS214 4.2 33.4 1.0
CG D:HIS214 4.3 38.0 1.0
CG A:HIS215 4.3 40.1 1.0
ND1 A:HIS272 4.4 41.0 1.0
ND1 D:HIS268 4.4 36.3 1.0
CG D:HIS268 4.4 35.2 1.0
CG A:HIS272 4.5 39.9 1.0
CG2 A:VAL219 4.6 37.2 1.0
CG2 D:VAL218 4.8 36.0 1.0
OH A:TYR246 4.9 60.2 1.0
OH D:TYR244 4.9 45.9 1.0

Iron binding site 2 out of 6 in 8gn2

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Iron binding site 2 out of 6 in the Crystal Structure of Ppbq-Bound Photosystem II Complex


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 Ppbq-Bound Photosystem II Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Fe101

b:49.1
occ:1.00
FE F:HEM101 0.0 49.1 1.0
NB F:HEM101 2.0 47.2 1.0
NE2 F:HIS24 2.1 51.0 1.0
NE2 E:HIS23 2.1 53.0 1.0
NC F:HEM101 2.1 45.7 1.0
NA F:HEM101 2.1 51.9 1.0
ND F:HEM101 2.1 48.2 1.0
CE1 E:HIS23 3.0 55.3 1.0
C1A F:HEM101 3.0 50.4 1.0
CE1 F:HIS24 3.0 53.1 1.0
C4D F:HEM101 3.0 54.3 1.0
C4B F:HEM101 3.0 50.7 1.0
CD2 F:HIS24 3.0 48.8 1.0
C1C F:HEM101 3.1 47.1 1.0
CD2 E:HIS23 3.1 51.1 1.0
C1B F:HEM101 3.1 57.1 1.0
C4A F:HEM101 3.1 51.9 1.0
C4C F:HEM101 3.1 48.6 1.0
C1D F:HEM101 3.1 48.5 1.0
CHA F:HEM101 3.3 53.8 1.0
CHC F:HEM101 3.4 42.7 1.0
CHB F:HEM101 3.5 55.8 1.0
CHD F:HEM101 3.5 45.2 1.0
ND1 E:HIS23 4.1 52.0 1.0
ND1 F:HIS24 4.1 50.9 1.0
CG F:HIS24 4.2 53.8 1.0
CG E:HIS23 4.2 53.7 1.0
C2A F:HEM101 4.2 54.7 1.0
C3A F:HEM101 4.3 56.4 1.0
C3D F:HEM101 4.3 50.3 1.0
C3B F:HEM101 4.3 52.6 1.0
C2B F:HEM101 4.3 54.2 1.0
C2C F:HEM101 4.3 46.9 1.0
C2D F:HEM101 4.3 47.2 1.0
C3C F:HEM101 4.3 46.6 1.0
CE1 E:TYR19 4.8 55.9 1.0
NE1 F:TRP20 4.9 59.1 1.0

Iron binding site 3 out of 6 in 8gn2

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Iron binding site 3 out of 6 in the Crystal Structure of Ppbq-Bound Photosystem II Complex


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 Ppbq-Bound Photosystem II Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
V:Fe202

b:41.9
occ:1.00
FE V:HEC202 0.0 41.9 1.0
NA V:HEC202 2.0 41.7 1.0
NE2 V:HIS92 2.1 41.2 1.0
NE2 V:HIS41 2.1 38.9 1.0
NC V:HEC202 2.1 38.6 1.0
NB V:HEC202 2.1 45.7 1.0
ND V:HEC202 2.1 40.7 1.0
CD2 V:HIS92 3.0 41.7 1.0
CD2 V:HIS41 3.0 39.6 1.0
C4A V:HEC202 3.0 42.7 1.0
C1A V:HEC202 3.1 41.1 1.0
CE1 V:HIS92 3.1 40.6 1.0
C1B V:HEC202 3.1 43.5 1.0
C4D V:HEC202 3.1 43.6 1.0
CE1 V:HIS41 3.1 45.1 1.0
C1C V:HEC202 3.1 42.3 1.0
C1D V:HEC202 3.1 45.5 1.0
C4C V:HEC202 3.1 40.5 1.0
C4B V:HEC202 3.1 44.2 1.0
CHB V:HEC202 3.4 44.8 1.0
CHA V:HEC202 3.4 40.0 1.0
CHC V:HEC202 3.4 38.2 1.0
CHD V:HEC202 3.4 41.6 1.0
CG V:HIS92 4.1 42.8 1.0
ND1 V:HIS92 4.1 42.2 1.0
ND1 V:HIS41 4.2 39.7 1.0
CG V:HIS41 4.2 37.8 1.0
C3A V:HEC202 4.3 45.0 1.0
C2A V:HEC202 4.3 45.6 1.0
C3D V:HEC202 4.3 44.1 1.0
C2B V:HEC202 4.3 39.7 1.0
C2D V:HEC202 4.3 43.2 1.0
C3C V:HEC202 4.3 41.8 1.0
C2C V:HEC202 4.3 43.1 1.0
C3B V:HEC202 4.3 44.5 1.0
CE1 V:TYR75 4.7 45.1 1.0
OH V:TYR75 5.0 43.9 1.0

Iron binding site 4 out of 6 in 8gn2

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Iron binding site 4 out of 6 in the Crystal Structure of Ppbq-Bound Photosystem II Complex


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 Ppbq-Bound Photosystem II Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
a:Fe404

b:42.9
occ:1.00
O2 a:BCT407 2.1 48.7 1.0
NE2 a:HIS215 2.1 44.8 1.0
NE2 d:HIS214 2.2 40.0 1.0
NE2 a:HIS272 2.3 41.6 1.0
NE2 d:HIS268 2.3 39.1 1.0
O3 a:BCT407 2.3 45.4 1.0
C a:BCT407 2.6 53.9 1.0
CE1 a:HIS215 3.0 42.2 1.0
CE1 a:HIS272 3.1 38.9 1.0
CE1 d:HIS214 3.1 41.0 1.0
CD2 d:HIS214 3.1 36.7 1.0
CD2 a:HIS215 3.2 41.8 1.0
CE1 d:HIS268 3.2 36.6 1.0
CD2 d:HIS268 3.3 38.1 1.0
CD2 a:HIS272 3.3 38.4 1.0
O1 a:BCT407 3.8 58.9 1.0
ND1 a:HIS215 4.2 41.5 1.0
ND1 d:HIS214 4.3 39.1 1.0
CG d:HIS214 4.3 39.7 1.0
ND1 a:HIS272 4.3 42.4 1.0
CG a:HIS215 4.3 45.3 1.0
ND1 d:HIS268 4.4 36.4 1.0
CG a:HIS272 4.4 38.6 1.0
CG d:HIS268 4.4 35.2 1.0
CG2 a:VAL219 4.7 39.8 1.0
CG2 d:VAL218 4.8 38.6 1.0

Iron binding site 5 out of 6 in 8gn2

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Iron binding site 5 out of 6 in the Crystal Structure of Ppbq-Bound Photosystem II Complex


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 Ppbq-Bound Photosystem II Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
f:Fe101

b:59.5
occ:1.00
FE f:HEM101 0.0 59.5 1.0
NE2 e:HIS23 2.0 61.4 1.0
NA f:HEM101 2.0 64.3 1.0
NE2 f:HIS24 2.1 61.7 1.0
ND f:HEM101 2.1 60.6 1.0
NB f:HEM101 2.1 65.0 1.0
NC f:HEM101 2.1 60.4 1.0
CE1 e:HIS23 2.9 60.8 1.0
C1A f:HEM101 3.0 63.0 1.0
CD2 f:HIS24 3.0 57.1 1.0
C4D f:HEM101 3.0 63.6 1.0
C1C f:HEM101 3.0 60.0 1.0
C4B f:HEM101 3.1 63.4 1.0
CD2 e:HIS23 3.1 59.6 1.0
C4A f:HEM101 3.1 66.0 1.0
C1D f:HEM101 3.1 59.9 1.0
C1B f:HEM101 3.1 68.3 1.0
CE1 f:HIS24 3.1 61.5 1.0
C4C f:HEM101 3.1 59.7 1.0
CHA f:HEM101 3.3 58.4 1.0
CHC f:HEM101 3.4 55.3 1.0
CHB f:HEM101 3.5 69.0 1.0
CHD f:HEM101 3.5 61.5 1.0
ND1 e:HIS23 4.1 59.7 1.0
CG f:HIS24 4.1 55.8 1.0
C2A f:HEM101 4.2 70.5 1.0
CG e:HIS23 4.2 61.7 1.0
ND1 f:HIS24 4.2 58.4 1.0
C3A f:HEM101 4.2 68.8 1.0
C3D f:HEM101 4.3 58.4 1.0
C2C f:HEM101 4.3 61.9 1.0
C3B f:HEM101 4.3 67.9 1.0
C2D f:HEM101 4.3 63.5 1.0
C2B f:HEM101 4.3 67.9 1.0
C3C f:HEM101 4.3 61.3 1.0
CE1 e:TYR19 4.8 60.5 1.0
NE1 f:TRP20 4.9 70.4 1.0

Iron binding site 6 out of 6 in 8gn2

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Iron binding site 6 out of 6 in the Crystal Structure of Ppbq-Bound Photosystem II Complex


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 Ppbq-Bound Photosystem II Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
v:Fe1603

b:48.3
occ:1.00
FE v:HEC1603 0.0 48.3 1.0
NE2 v:HIS41 2.0 44.5 1.0
NC v:HEC1603 2.0 50.5 1.0
NE2 v:HIS92 2.0 49.4 1.0
ND v:HEC1603 2.0 48.1 1.0
NB v:HEC1603 2.1 51.4 1.0
NA v:HEC1603 2.1 46.7 1.0
CE1 v:HIS41 3.0 44.3 1.0
CD2 v:HIS41 3.0 47.9 1.0
CE1 v:HIS92 3.0 53.2 1.0
C1C v:HEC1603 3.0 47.3 1.0
C4D v:HEC1603 3.0 49.5 1.0
CD2 v:HIS92 3.0 46.7 1.0
C4B v:HEC1603 3.0 47.6 1.0
C4C v:HEC1603 3.0 47.8 1.0
C1A v:HEC1603 3.1 49.7 1.0
C1D v:HEC1603 3.1 52.7 1.0
C1B v:HEC1603 3.1 54.1 1.0
C4A v:HEC1603 3.1 50.2 1.0
CHC v:HEC1603 3.4 49.9 1.0
CHA v:HEC1603 3.4 48.5 1.0
CHD v:HEC1603 3.4 45.7 1.0
CHB v:HEC1603 3.5 47.5 1.0
ND1 v:HIS41 4.1 45.6 1.0
ND1 v:HIS92 4.1 49.9 1.0
CG v:HIS41 4.1 46.8 1.0
CG v:HIS92 4.2 50.7 1.0
C2C v:HEC1603 4.2 45.8 1.0
C3D v:HEC1603 4.2 47.0 1.0
C3C v:HEC1603 4.3 47.1 1.0
C3B v:HEC1603 4.3 47.4 1.0
C2D v:HEC1603 4.3 46.8 1.0
C2A v:HEC1603 4.3 54.2 1.0
C2B v:HEC1603 4.3 50.1 1.0
C3A v:HEC1603 4.3 49.4 1.0
CE1 v:TYR75 4.8 52.3 1.0

Reference:

S.Kamada, Y.Nakajima, J.R.Shen. Structural Insights Into the Action Mechanisms of Artificial Electron Acceptors in Photosystem II. J.Biol.Chem. V. 299 04839 2023.
ISSN: ESSN 1083-351X
PubMed: 37209822
DOI: 10.1016/J.JBC.2023.104839
Page generated: Sat Aug 10 04:55:14 2024

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