Atomistry » Iron » PDB 5why-5xbp » 5ws5
Atomistry »
  Iron »
    PDB 5why-5xbp »
      5ws5 »

Iron in PDB 5ws5: Native Xfel Structure of Photosystem II (Preflash Dark Dataset)

Enzymatic activity of Native Xfel Structure of Photosystem II (Preflash Dark Dataset)

All present enzymatic activity of Native Xfel Structure of Photosystem II (Preflash Dark Dataset):
1.10.3.9;

Protein crystallography data

The structure of Native Xfel Structure of Photosystem II (Preflash Dark Dataset), PDB code: 5ws5 was solved by M.Suga, J.R.Shen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 2.35
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 124.700, 229.890, 285.500, 90.00, 90.00, 90.00
R / Rfree (%) 13.3 / 17.1

Other elements in 5ws5:

The structure of Native Xfel Structure of Photosystem II (Preflash Dark Dataset) also contains other interesting chemical elements:

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

Iron Binding Sites:

The binding sites of Iron atom in the Native Xfel Structure of Photosystem II (Preflash Dark Dataset) (pdb code 5ws5). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 6 binding sites of Iron where determined in the Native Xfel Structure of Photosystem II (Preflash Dark Dataset), PDB code: 5ws5:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6;

Iron binding site 1 out of 6 in 5ws5

Go back to Iron Binding Sites List in 5ws5
Iron binding site 1 out of 6 in the Native Xfel Structure of Photosystem II (Preflash Dark Dataset)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Native Xfel Structure of Photosystem II (Preflash Dark Dataset) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe401

b:64.6
occ:1.00
NE2 D:HIS214 2.1 54.2 1.0
NE2 A:HIS215 2.1 56.0 1.0
O2 A:BCT348 2.1 64.5 1.0
O1 A:BCT348 2.2 60.5 1.0
NE2 A:HIS272 2.2 61.3 1.0
NE2 D:HIS268 2.2 56.7 1.0
C A:BCT348 2.4 62.9 1.0
CE1 A:HIS215 2.9 51.6 1.0
CE1 D:HIS214 3.0 52.6 1.0
CE1 A:HIS272 3.1 55.2 1.0
CE1 D:HIS268 3.2 53.0 1.0
CD2 D:HIS214 3.2 53.2 1.0
CD2 D:HIS268 3.2 50.5 1.0
CD2 A:HIS215 3.3 49.5 1.0
CD2 A:HIS272 3.3 56.7 1.0
O3 A:BCT348 3.8 69.0 1.0
ND1 A:HIS215 4.1 52.5 1.0
ND1 D:HIS214 4.1 48.9 1.0
ND1 A:HIS272 4.2 56.3 1.0
CG D:HIS214 4.3 51.9 1.0
CG A:HIS215 4.3 51.8 1.0
ND1 D:HIS268 4.3 55.0 1.0
CG D:HIS268 4.4 55.9 1.0
CG A:HIS272 4.4 61.3 1.0
CG2 A:VAL219 4.5 57.2 1.0
OH D:TYR244 4.8 59.6 1.0
CG2 D:VAL218 4.8 51.0 1.0

Iron binding site 2 out of 6 in 5ws5

Go back to Iron Binding Sites List in 5ws5
Iron binding site 2 out of 6 in the Native Xfel Structure of Photosystem II (Preflash Dark Dataset)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Native Xfel Structure of Photosystem II (Preflash Dark Dataset) within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Fe103

b:0.6
occ:1.00
FE E:HEM103 0.0 0.6 1.0
ND E:HEM103 2.0 69.0 1.0
NA E:HEM103 2.0 90.4 1.0
NC E:HEM103 2.1 85.6 1.0
NE2 E:HIS23 2.1 89.8 1.0
NE2 F:HIS24 2.1 78.6 1.0
NB E:HEM103 2.1 73.8 1.0
C4D E:HEM103 2.9 75.2 1.0
CD2 F:HIS24 2.9 77.2 1.0
C1A E:HEM103 3.0 72.4 1.0
C1D E:HEM103 3.0 68.3 1.0
CE1 E:HIS23 3.0 81.5 1.0
C4A E:HEM103 3.1 77.0 1.0
CD2 E:HIS23 3.1 86.8 1.0
C4C E:HEM103 3.1 66.6 1.0
C4B E:HEM103 3.1 69.9 1.0
C1B E:HEM103 3.1 76.7 1.0
C1C E:HEM103 3.1 65.6 1.0
CE1 F:HIS24 3.2 75.5 1.0
CHA E:HEM103 3.3 72.5 1.0
CHD E:HEM103 3.4 68.4 1.0
CHC E:HEM103 3.5 66.7 1.0
CHB E:HEM103 3.5 69.7 1.0
CG F:HIS24 4.1 76.7 1.0
ND1 E:HIS23 4.1 79.1 1.0
C3D E:HEM103 4.1 71.4 1.0
C2A E:HEM103 4.1 77.7 1.0
C2D E:HEM103 4.2 71.2 1.0
CG E:HIS23 4.2 77.6 1.0
C3A E:HEM103 4.2 76.5 1.0
ND1 F:HIS24 4.2 81.2 1.0
C3C E:HEM103 4.3 71.7 1.0
C2C E:HEM103 4.3 72.5 1.0
C2B E:HEM103 4.3 72.5 1.0
C3B E:HEM103 4.3 77.8 1.0
NE1 F:TRP20 4.9 85.0 1.0
CE2 E:TYR19 4.9 76.7 1.0

Iron binding site 3 out of 6 in 5ws5

Go back to Iron Binding Sites List in 5ws5
Iron binding site 3 out of 6 in the Native Xfel Structure of Photosystem II (Preflash Dark Dataset)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Native Xfel Structure of Photosystem II (Preflash Dark Dataset) within 5.0Å range:
probe atom residue distance (Å) B Occ
V:Fe202

b:62.3
occ:1.00
FE V:HEC202 0.0 62.3 1.0
ND V:HEC202 2.0 63.7 1.0
NA V:HEC202 2.0 61.5 1.0
NE2 V:HIS92 2.1 55.9 1.0
NE2 V:HIS41 2.1 52.4 1.0
NC V:HEC202 2.1 60.5 1.0
NB V:HEC202 2.1 60.7 1.0
C4D V:HEC202 2.9 56.6 1.0
C1D V:HEC202 3.0 54.1 1.0
C1A V:HEC202 3.0 60.3 1.0
CD2 V:HIS41 3.0 51.7 1.0
C4C V:HEC202 3.0 56.7 1.0
C4A V:HEC202 3.0 61.2 1.0
CE1 V:HIS92 3.0 54.1 1.0
C1B V:HEC202 3.1 61.1 1.0
CD2 V:HIS92 3.1 57.0 1.0
C4B V:HEC202 3.1 60.2 1.0
CE1 V:HIS41 3.1 57.0 1.0
C1C V:HEC202 3.1 61.5 1.0
CHA V:HEC202 3.4 56.6 1.0
CHD V:HEC202 3.4 60.4 1.0
CHB V:HEC202 3.5 63.3 1.0
CHC V:HEC202 3.5 58.7 1.0
ND1 V:HIS92 4.1 56.2 1.0
C3D V:HEC202 4.2 61.4 1.0
CG V:HIS41 4.2 53.8 1.0
C2A V:HEC202 4.2 62.0 1.0
CG V:HIS92 4.2 62.7 1.0
ND1 V:HIS41 4.2 57.9 1.0
C2D V:HEC202 4.2 56.5 1.0
C3A V:HEC202 4.2 63.6 1.0
C3C V:HEC202 4.3 64.1 1.0
C2B V:HEC202 4.3 58.3 1.0
C2C V:HEC202 4.3 64.7 1.0
C3B V:HEC202 4.3 56.8 1.0
CE1 V:TYR75 4.8 60.3 1.0
OH V:TYR75 5.0 56.9 1.0

Iron binding site 4 out of 6 in 5ws5

Go back to Iron Binding Sites List in 5ws5
Iron binding site 4 out of 6 in the Native Xfel Structure of Photosystem II (Preflash Dark Dataset)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Native Xfel Structure of Photosystem II (Preflash Dark Dataset) within 5.0Å range:
probe atom residue distance (Å) B Occ
a:Fe401

b:67.3
occ:1.00
NE2 a:HIS215 2.1 63.0 1.0
O2 a:BCT404 2.2 65.1 1.0
NE2 d:HIS214 2.2 57.2 1.0
NE2 a:HIS272 2.2 59.1 1.0
NE2 d:HIS268 2.2 59.3 1.0
O1 a:BCT404 2.2 59.4 1.0
C a:BCT404 2.5 66.7 1.0
CE1 a:HIS215 2.9 62.0 1.0
CE1 d:HIS214 3.1 58.1 1.0
CE1 a:HIS272 3.1 56.0 1.0
CD2 d:HIS214 3.2 50.8 1.0
CD2 d:HIS268 3.2 55.0 1.0
CE1 d:HIS268 3.2 57.4 1.0
CD2 a:HIS215 3.2 56.8 1.0
CD2 a:HIS272 3.2 58.5 1.0
O3 a:BCT404 3.8 76.2 1.0
ND1 a:HIS215 4.1 60.5 1.0
ND1 d:HIS214 4.2 55.7 1.0
ND1 a:HIS272 4.3 61.0 1.0
CG a:HIS215 4.3 63.8 1.0
CG d:HIS214 4.3 53.5 1.0
ND1 d:HIS268 4.3 55.3 1.0
CG d:HIS268 4.4 56.2 1.0
CG a:HIS272 4.4 60.5 1.0
CG2 a:VAL219 4.4 60.8 1.0
CG2 d:VAL218 4.8 58.2 1.0
OH d:TYR244 4.9 66.8 1.0

Iron binding site 5 out of 6 in 5ws5

Go back to Iron Binding Sites List in 5ws5
Iron binding site 5 out of 6 in the Native Xfel Structure of Photosystem II (Preflash Dark Dataset)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Native Xfel Structure of Photosystem II (Preflash Dark Dataset) within 5.0Å range:
probe atom residue distance (Å) B Occ
e:Fe87

b:94.8
occ:1.00
FE e:HEM87 0.0 94.8 1.0
ND e:HEM87 2.0 82.5 1.0
NA e:HEM87 2.0 0.4 1.0
NC e:HEM87 2.1 89.7 1.0
NE2 f:HIS24 2.1 83.9 1.0
NE2 e:HIS23 2.1 0.6 1.0
NB e:HEM87 2.1 86.4 1.0
C4D e:HEM87 2.9 86.2 1.0
CD2 f:HIS24 2.9 85.1 1.0
C1D e:HEM87 3.0 80.0 1.0
C1A e:HEM87 3.0 93.5 1.0
CD2 e:HIS23 3.0 97.0 1.0
C4C e:HEM87 3.0 88.1 1.0
C4A e:HEM87 3.0 0.2 1.0
C1B e:HEM87 3.1 93.6 1.0
C4B e:HEM87 3.1 89.6 1.0
CE1 e:HIS23 3.1 95.0 1.0
C1C e:HEM87 3.1 85.7 1.0
CE1 f:HIS24 3.1 87.4 1.0
CHA e:HEM87 3.4 86.7 1.0
CHD e:HEM87 3.4 82.5 1.0
CHB e:HEM87 3.5 94.3 1.0
CHC e:HEM87 3.5 85.8 1.0
CG f:HIS24 4.1 85.0 1.0
C3D e:HEM87 4.2 88.4 1.0
ND1 e:HIS23 4.2 94.3 1.0
CG e:HIS23 4.2 92.3 1.0
ND1 f:HIS24 4.2 92.2 1.0
C2D e:HEM87 4.2 87.2 1.0
C2A e:HEM87 4.2 0.3 1.0
C3A e:HEM87 4.2 0.8 1.0
C3C e:HEM87 4.3 94.2 1.0
C2C e:HEM87 4.3 94.2 1.0
C2B e:HEM87 4.3 95.7 1.0
C3B e:HEM87 4.3 97.1 1.0
CE2 e:TYR19 4.8 88.3 1.0
NE1 f:TRP20 4.9 98.6 1.0

Iron binding site 6 out of 6 in 5ws5

Go back to Iron Binding Sites List in 5ws5
Iron binding site 6 out of 6 in the Native Xfel Structure of Photosystem II (Preflash Dark Dataset)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Native Xfel Structure of Photosystem II (Preflash Dark Dataset) within 5.0Å range:
probe atom residue distance (Å) B Occ
v:Fe202

b:72.8
occ:1.00
FE v:HEC202 0.0 72.8 1.0
ND v:HEC202 2.0 70.9 1.0
NA v:HEC202 2.0 74.1 1.0
NE2 v:HIS41 2.1 64.3 1.0
NE2 v:HIS92 2.1 66.6 1.0
NC v:HEC202 2.1 72.8 1.0
NB v:HEC202 2.1 71.8 1.0
C4D v:HEC202 2.9 71.7 1.0
C1D v:HEC202 2.9 74.0 1.0
C1A v:HEC202 3.0 68.6 1.0
CD2 v:HIS41 3.0 61.3 1.0
C4A v:HEC202 3.0 71.6 1.0
C4C v:HEC202 3.0 70.5 1.0
CD2 v:HIS92 3.1 66.0 1.0
C1B v:HEC202 3.1 69.5 1.0
CE1 v:HIS92 3.1 68.8 1.0
C4B v:HEC202 3.1 68.2 1.0
CE1 v:HIS41 3.1 65.8 1.0
C1C v:HEC202 3.1 64.9 1.0
CHA v:HEC202 3.3 61.7 1.0
CHD v:HEC202 3.4 71.1 1.0
CHB v:HEC202 3.5 68.8 1.0
CHC v:HEC202 3.5 75.6 1.0
ND1 v:HIS92 4.2 68.5 1.0
C3D v:HEC202 4.2 70.1 1.0
C2A v:HEC202 4.2 74.0 1.0
CG v:HIS41 4.2 64.6 1.0
ND1 v:HIS41 4.2 67.3 1.0
CG v:HIS92 4.2 70.5 1.0
C2D v:HEC202 4.2 78.4 1.0
C3A v:HEC202 4.2 72.6 1.0
C3C v:HEC202 4.3 74.0 1.0
C2B v:HEC202 4.3 68.1 1.0
C2C v:HEC202 4.3 70.1 1.0
C3B v:HEC202 4.3 69.3 1.0
CE1 v:TYR75 4.8 71.5 1.0

Reference:

M.Suga, F.Akita, M.Sugahara, M.Kubo, Y.Nakajima, T.Nakane, K.Yamashita, Y.Umena, M.Nakabayashi, T.Yamane, T.Nakano, M.Suzuki, T.Masuda, S.Inoue, T.Kimura, T.Nomura, S.Yonekura, L.J.Yu, T.Sakamoto, T.Motomura, J.H.Chen, Y.Kato, T.Noguchi, K.Tono, Y.Joti, T.Kameshima, T.Hatsui, E.Nango, R.Tanaka, H.Naitow, Y.Matsuura, A.Yamashita, M.Yamamoto, O.Nureki, M.Yabashi, T.Ishikawa, S.Iwata, J.R.Shen. Light-Induced Structural Changes and the Site of O=O Bond Formation in Psii Caught By Xfel. Nature V. 543 131 2017.
ISSN: ESSN 1476-4687
PubMed: 28219079
DOI: 10.1038/NATURE21400
Page generated: Tue Aug 6 11:18:04 2024

Last articles

Zn in 9JYW
Zn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy