Atomistry » Iron » PDB 5jsh-5kja » 5kaf
Atomistry »
  Iron »
    PDB 5jsh-5kja »
      5kaf »

Iron in PDB 5kaf: Rt Xfel Structure of Photosystem II in the Dark State at 3.0 A Resolution

Enzymatic activity of Rt Xfel Structure of Photosystem II in the Dark State at 3.0 A Resolution

All present enzymatic activity of Rt Xfel Structure of Photosystem II in the Dark State at 3.0 A Resolution:
1.10.3.9;

Protein crystallography data

The structure of Rt Xfel Structure of Photosystem II in the Dark State at 3.0 A Resolution, PDB code: 5kaf was solved by I.D.Young, M.Ibrahim, R.Chatterjee, S.Gul, S.Koroidov, A.S.Brewster, R.Tran, R.Alonso-Mori, F.Fuller, T.Kroll, T.Michels-Clark, H.Laksmono, R.G.Sierra, C.A.Stan, C.Saracini, M.A.Bean, I.Seuffert, D.Sokaras, T.-C.Weng, M.S.Hunter, A.Aquila, J.E.Koglin, J.Robinson, M.Liang, S.Boutet, A.Y.Lyubimov, M.Uervirojnangkoorn, N.W.Moriarty, D.Liebschner, P.V.Afonine, D.G.Waterman, G.Evans, H.Dobbek, W.I.Weis, A.T.Brunger, P.H.Zwart, P.D.Adams, A.Zouni, J.Messinger, U.Bergmann, N.K.Sauter, J.Kern, V.K.Yachandra, J.Yano, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 43.12 / 3.00
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 117.731, 223.815, 330.818, 90.00, 90.00, 90.00
R / Rfree (%) 26.4 / 30.3

Other elements in 5kaf:

The structure of Rt Xfel Structure of Photosystem II in the Dark State at 3.0 A Resolution also contains other interesting chemical elements:

Magnesium (Mg) 70 atoms
Manganese (Mn) 8 atoms
Calcium (Ca) 2 atoms
Chlorine (Cl) 4 atoms

Iron Binding Sites:

The binding sites of Iron atom in the Rt Xfel Structure of Photosystem II in the Dark State at 3.0 A Resolution (pdb code 5kaf). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 6 binding sites of Iron where determined in the Rt Xfel Structure of Photosystem II in the Dark State at 3.0 A Resolution, PDB code: 5kaf:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6;

Iron binding site 1 out of 6 in 5kaf

Go back to Iron Binding Sites List in 5kaf
Iron binding site 1 out of 6 in the Rt Xfel Structure of Photosystem II in the Dark State at 3.0 A Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Rt Xfel Structure of Photosystem II in the Dark State at 3.0 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe602

b:46.8
occ:1.00
O1 A:BCT620 2.1 44.9 1.0
NE2 A:HIS215 2.2 39.6 1.0
NE2 D:HIS214 2.2 40.4 1.0
O2 A:BCT620 2.2 36.4 1.0
NE2 A:HIS272 2.2 47.3 1.0
NE2 D:HIS268 2.2 44.9 1.0
C A:BCT620 2.3 37.9 1.0
CE1 A:HIS215 2.9 48.4 1.0
CE1 D:HIS214 3.1 40.0 1.0
CE1 D:HIS268 3.1 39.5 1.0
CE1 A:HIS272 3.1 44.8 1.0
CD2 D:HIS214 3.2 42.9 1.0
CD2 D:HIS268 3.2 43.4 1.0
CD2 A:HIS272 3.2 42.1 1.0
CD2 A:HIS215 3.3 44.9 1.0
O3 A:BCT620 3.8 26.8 1.0
ND1 A:HIS215 4.2 47.0 1.0
ND1 D:HIS268 4.2 35.0 1.0
ND1 D:HIS214 4.2 39.3 1.0
ND1 A:HIS272 4.2 43.1 1.0
CG D:HIS214 4.3 37.0 1.0
CG D:HIS268 4.3 39.7 1.0
CG A:HIS272 4.3 45.9 1.0
CG A:HIS215 4.4 43.0 1.0
OH D:TYR244 4.7 37.4 1.0
CG2 A:VAL219 4.8 44.4 1.0
CG2 D:VAL218 5.0 39.8 1.0

Iron binding site 2 out of 6 in 5kaf

Go back to Iron Binding Sites List in 5kaf
Iron binding site 2 out of 6 in the Rt Xfel Structure of Photosystem II in the Dark State at 3.0 A Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Rt Xfel Structure of Photosystem II in the Dark State at 3.0 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Fe101

b:65.6
occ:1.00
FE E:HEM101 0.0 65.6 1.0
NC E:HEM101 2.1 51.2 1.0
ND E:HEM101 2.1 60.1 1.0
NA E:HEM101 2.1 58.0 1.0
NB E:HEM101 2.1 56.4 1.0
NE2 F:HIS24 2.2 62.1 1.0
NE2 E:HIS23 2.2 58.4 1.0
CE1 F:HIS24 2.8 61.3 1.0
C1A E:HEM101 3.0 55.6 1.0
C4A E:HEM101 3.0 50.9 1.0
C4D E:HEM101 3.0 54.8 1.0
CD2 E:HIS23 3.1 61.7 1.0
C1D E:HEM101 3.1 62.6 1.0
C1C E:HEM101 3.1 49.6 1.0
C4B E:HEM101 3.1 53.6 1.0
C4C E:HEM101 3.1 57.0 1.0
C1B E:HEM101 3.1 56.4 1.0
CE1 E:HIS23 3.2 56.9 1.0
CD2 F:HIS24 3.3 58.6 1.0
CHA E:HEM101 3.4 52.1 1.0
CHC E:HEM101 3.4 55.9 1.0
CHB E:HEM101 3.4 47.4 1.0
CHD E:HEM101 3.4 54.9 1.0
ND1 F:HIS24 4.0 61.0 1.0
CG E:HIS23 4.2 59.1 1.0
C2A E:HEM101 4.2 61.1 1.0
ND1 E:HIS23 4.2 57.1 1.0
C3A E:HEM101 4.2 55.7 1.0
CG F:HIS24 4.2 60.3 1.0
C3D E:HEM101 4.3 54.6 1.0
C2D E:HEM101 4.3 56.4 1.0
C2C E:HEM101 4.3 49.5 1.0
C3C E:HEM101 4.3 60.2 1.0
C2B E:HEM101 4.3 53.9 1.0
C3B E:HEM101 4.3 53.4 1.0
CE1 E:TYR19 4.9 53.3 1.0

Iron binding site 3 out of 6 in 5kaf

Go back to Iron Binding Sites List in 5kaf
Iron binding site 3 out of 6 in the Rt Xfel Structure of Photosystem II in the Dark State at 3.0 A Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Rt Xfel Structure of Photosystem II in the Dark State at 3.0 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
V:Fe201

b:54.2
occ:1.00
FE V:HEM201 0.0 54.2 1.0
ND V:HEM201 2.0 45.7 1.0
NB V:HEM201 2.0 50.2 1.0
NA V:HEM201 2.1 44.9 1.0
NC V:HEM201 2.1 49.0 1.0
NE2 V:HIS41 2.2 47.9 1.0
NE2 V:HIS92 2.2 47.4 1.0
CE1 V:HIS92 3.0 47.2 1.0
C4D V:HEM201 3.1 41.3 1.0
C1C V:HEM201 3.1 47.4 1.0
C4B V:HEM201 3.1 49.4 1.0
C1D V:HEM201 3.1 43.8 1.0
C1A V:HEM201 3.1 44.7 1.0
C1B V:HEM201 3.1 48.2 1.0
C4A V:HEM201 3.1 44.2 1.0
C4C V:HEM201 3.1 40.7 1.0
CE1 V:HIS41 3.1 51.5 1.0
CD2 V:HIS41 3.1 49.9 1.0
CD2 V:HIS92 3.3 45.5 1.0
CHC V:HEM201 3.4 45.1 1.0
CHA V:HEM201 3.4 44.8 1.0
CHD V:HEM201 3.4 38.2 1.0
CHB V:HEM201 3.4 48.5 1.0
ND1 V:HIS92 4.2 47.6 1.0
ND1 V:HIS41 4.2 58.5 1.0
CG V:HIS41 4.3 51.0 1.0
C3D V:HEM201 4.3 41.9 1.0
C2D V:HEM201 4.3 41.4 1.0
C2C V:HEM201 4.3 46.0 1.0
C3B V:HEM201 4.3 49.0 1.0
C2B V:HEM201 4.3 41.3 1.0
C2A V:HEM201 4.3 39.2 1.0
C3A V:HEM201 4.3 37.3 1.0
C3C V:HEM201 4.3 50.2 1.0
CG V:HIS92 4.3 47.1 1.0
CE1 V:TYR75 4.9 40.1 1.0

Iron binding site 4 out of 6 in 5kaf

Go back to Iron Binding Sites List in 5kaf
Iron binding site 4 out of 6 in the Rt Xfel Structure of Photosystem II in the Dark State at 3.0 A Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Rt Xfel Structure of Photosystem II in the Dark State at 3.0 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
a:Fe602

b:62.8
occ:1.00
O1 a:BCT605 2.2 49.2 1.0
O2 a:BCT605 2.2 47.2 1.0
NE2 d:HIS214 2.2 42.1 1.0
NE2 a:HIS215 2.2 44.3 1.0
NE2 a:HIS272 2.2 48.0 1.0
NE2 d:HIS268 2.2 36.8 1.0
C a:BCT605 2.3 50.4 1.0
CE1 a:HIS215 3.0 45.7 1.0
CE1 d:HIS268 3.0 36.8 1.0
CE1 a:HIS272 3.0 49.1 1.0
CE1 d:HIS214 3.0 40.2 1.0
CD2 d:HIS214 3.3 39.9 1.0
CD2 a:HIS215 3.3 43.4 1.0
CD2 a:HIS272 3.3 40.5 1.0
CD2 d:HIS268 3.3 42.9 1.0
O3 a:BCT605 3.7 44.1 1.0
ND1 a:HIS215 4.2 42.0 1.0
ND1 d:HIS268 4.2 35.7 1.0
ND1 a:HIS272 4.2 44.5 1.0
ND1 d:HIS214 4.2 34.5 1.0
CG d:HIS214 4.3 38.0 1.0
CG a:HIS215 4.4 40.0 1.0
CG a:HIS272 4.4 38.0 1.0
CG d:HIS268 4.4 39.7 1.0
CG2 a:VAL219 4.6 42.9 1.0
OH d:TYR244 4.7 39.7 1.0

Iron binding site 5 out of 6 in 5kaf

Go back to Iron Binding Sites List in 5kaf
Iron binding site 5 out of 6 in the Rt Xfel Structure of Photosystem II in the Dark State at 3.0 A Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Rt Xfel Structure of Photosystem II in the Dark State at 3.0 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
e:Fe101

b:66.4
occ:1.00
FE e:HEM101 0.0 66.4 1.0
NC e:HEM101 2.1 68.3 1.0
NA e:HEM101 2.1 64.9 1.0
ND e:HEM101 2.1 66.3 1.0
NB e:HEM101 2.1 62.5 1.0
NE2 e:HIS23 2.2 69.7 1.0
NE2 f:HIS24 2.2 68.5 1.0
CD2 f:HIS24 3.0 58.8 1.0
CD2 e:HIS23 3.0 65.3 1.0
C1A e:HEM101 3.0 60.9 1.0
C4D e:HEM101 3.1 65.3 1.0
C4A e:HEM101 3.1 62.5 1.0
C1C e:HEM101 3.1 67.0 1.0
C4B e:HEM101 3.1 62.4 1.0
C1D e:HEM101 3.1 62.4 1.0
C1B e:HEM101 3.1 60.8 1.0
C4C e:HEM101 3.1 64.6 1.0
CE1 f:HIS24 3.2 61.6 1.0
CE1 e:HIS23 3.2 72.3 1.0
CHA e:HEM101 3.4 61.8 1.0
CHC e:HEM101 3.4 66.2 1.0
CHB e:HEM101 3.4 60.9 1.0
CHD e:HEM101 3.5 59.3 1.0
CG f:HIS24 4.2 53.9 1.0
ND1 f:HIS24 4.2 55.7 1.0
CG e:HIS23 4.2 67.0 1.0
ND1 e:HIS23 4.2 69.1 1.0
C2A e:HEM101 4.2 62.8 1.0
C3A e:HEM101 4.2 67.7 1.0
C3D e:HEM101 4.3 62.5 1.0
C2D e:HEM101 4.3 63.0 1.0
C2C e:HEM101 4.3 66.5 1.0
C3B e:HEM101 4.3 53.3 1.0
C2B e:HEM101 4.3 57.2 1.0
C3C e:HEM101 4.3 67.4 1.0
CE1 e:TYR19 4.8 68.6 1.0

Iron binding site 6 out of 6 in 5kaf

Go back to Iron Binding Sites List in 5kaf
Iron binding site 6 out of 6 in the Rt Xfel Structure of Photosystem II in the Dark State at 3.0 A Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Rt Xfel Structure of Photosystem II in the Dark State at 3.0 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
v:Fe201

b:49.6
occ:1.00
FE v:HEM201 0.0 49.6 1.0
ND v:HEM201 2.0 40.1 1.0
NC v:HEM201 2.1 42.5 1.0
NA v:HEM201 2.1 46.5 1.0
NB v:HEM201 2.1 43.1 1.0
NE2 v:HIS41 2.2 40.1 1.0
NE2 v:HIS92 2.2 41.9 1.0
C1D v:HEM201 3.1 39.5 1.0
C4D v:HEM201 3.1 39.1 1.0
CE1 v:HIS92 3.1 41.7 1.0
C1C v:HEM201 3.1 41.5 1.0
C4B v:HEM201 3.1 40.2 1.0
C1A v:HEM201 3.1 42.7 1.0
C4C v:HEM201 3.1 41.6 1.0
C4A v:HEM201 3.1 40.3 1.0
C1B v:HEM201 3.1 41.8 1.0
CD2 v:HIS41 3.1 41.2 1.0
CE1 v:HIS41 3.1 36.6 1.0
CD2 v:HIS92 3.3 44.1 1.0
CHD v:HEM201 3.4 41.5 1.0
CHC v:HEM201 3.4 42.8 1.0
CHA v:HEM201 3.4 34.3 1.0
CHB v:HEM201 3.5 40.0 1.0
ND1 v:HIS41 4.2 42.9 1.0
ND1 v:HIS92 4.2 48.7 1.0
CG v:HIS41 4.2 41.8 1.0
C2D v:HEM201 4.3 35.3 1.0
C3D v:HEM201 4.3 40.6 1.0
C2C v:HEM201 4.3 41.4 1.0
C2A v:HEM201 4.3 41.7 1.0
C3B v:HEM201 4.3 35.0 1.0
C3A v:HEM201 4.3 45.4 1.0
C2B v:HEM201 4.3 36.2 1.0
C3C v:HEM201 4.3 43.1 1.0
CG v:HIS92 4.3 47.7 1.0

Reference:

I.D.Young, M.Ibrahim, R.Chatterjee, S.Gul, F.D.Fuller, S.Koroidov, A.S.Brewster, R.Tran, R.Alonso-Mori, T.Kroll, T.Michels-Clark, H.Laksmono, R.G.Sierra, C.A.Stan, R.Hussein, M.Zhang, L.Douthit, M.Kubin, C.De Lichtenberg, L.Vo Pham, H.Nilsson, M.H.Cheah, D.Shevela, C.Saracini, M.A.Bean, I.Seuffert, D.Sokaras, T.C.Weng, E.Pastor, C.Weninger, T.Fransson, L.Lassalle, P.Brauer, P.Aller, P.T.Docker, B.Andi, A.M.Orville, J.M.Glownia, S.Nelson, M.Sikorski, D.Zhu, M.S.Hunter, T.J.Lane, A.Aquila, J.E.Koglin, J.Robinson, M.Liang, S.Boutet, A.Y.Lyubimov, M.Uervirojnangkoorn, N.W.Moriarty, D.Liebschner, P.V.Afonine, D.G.Waterman, G.Evans, P.Wernet, H.Dobbek, W.I.Weis, A.T.Brunger, P.H.Zwart, P.D.Adams, A.Zouni, J.Messinger, U.Bergmann, N.K.Sauter, J.Kern, V.K.Yachandra, J.Yano. Structure of Photosystem II and Substrate Binding at Room Temperature. Nature V. 540 453 2016.
ISSN: ESSN 1476-4687
PubMed: 27871088
DOI: 10.1038/NATURE20161
Page generated: Tue Aug 6 03:07:57 2024

Last articles

Al in 2IHB
Al in 2HF7
Al in 2GJ8
Al in 2GJ9
Al in 2GTP
Al in 2GJA
Al in 2G83
Al in 2CNW
Al in 2F90
Al in 2G08
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy