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Iron in PDB 6zid: Ultrafast Structural Response to Charge Redistribution Within A Photosynthetic Reaction Centre - 5 Ps (B) Structure

Protein crystallography data

The structure of Ultrafast Structural Response to Charge Redistribution Within A Photosynthetic Reaction Centre - 5 Ps (B) Structure, PDB code: 6zid was solved by P.Baath, R.Dods, G.Braenden, R.Neutze, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 34.31 / 2.80
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 226.500, 226.500, 113.900, 90.00, 90.00, 90.00
R / Rfree (%) 15.9 / 18.3

Other elements in 6zid:

The structure of Ultrafast Structural Response to Charge Redistribution Within A Photosynthetic Reaction Centre - 5 Ps (B) Structure also contains other interesting chemical elements:

Magnesium (Mg) 7 atoms

Iron Binding Sites:

The binding sites of Iron atom in the Ultrafast Structural Response to Charge Redistribution Within A Photosynthetic Reaction Centre - 5 Ps (B) Structure (pdb code 6zid). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 6 binding sites of Iron where determined in the Ultrafast Structural Response to Charge Redistribution Within A Photosynthetic Reaction Centre - 5 Ps (B) Structure, PDB code: 6zid:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6;

Iron binding site 1 out of 6 in 6zid

Go back to Iron Binding Sites List in 6zid
Iron binding site 1 out of 6 in the Ultrafast Structural Response to Charge Redistribution Within A Photosynthetic Reaction Centre - 5 Ps (B) Structure


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Ultrafast Structural Response to Charge Redistribution Within A Photosynthetic Reaction Centre - 5 Ps (B) Structure within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Fe401

b:96.1
occ:1.00
FE C:HEC401 0.0 96.1 1.0
NB C:HEC401 2.0 95.8 1.0
NE2 C:HIS91 2.0 96.3 1.0
NA C:HEC401 2.1 97.4 1.0
NC C:HEC401 2.1 93.3 1.0
ND C:HEC401 2.1 98.0 1.0
SD C:MET74 2.4 92.3 1.0
CD2 C:HIS91 3.0 97.1 1.0
C4B C:HEC401 3.0 94.2 1.0
C1C C:HEC401 3.0 91.0 1.0
C4A C:HEC401 3.1 0.5 1.0
CE1 C:HIS91 3.1 96.0 1.0
C1B C:HEC401 3.1 98.1 1.0
C1A C:HEC401 3.1 0.1 1.0
C1D C:HEC401 3.1 0.9 1.0
C4D C:HEC401 3.1 97.6 1.0
C4C C:HEC401 3.1 92.2 1.0
CHC C:HEC401 3.4 93.9 1.0
CHB C:HEC401 3.4 0.7 1.0
CHA C:HEC401 3.4 0.0 1.0
CHD C:HEC401 3.5 95.1 1.0
CE C:MET74 3.5 92.8 1.0
CG C:MET74 3.6 91.6 1.0
CG C:HIS91 4.2 96.3 1.0
ND1 C:HIS91 4.2 95.8 1.0
C3B C:HEC401 4.3 96.7 1.0
C3A C:HEC401 4.3 0.2 1.0
C2B C:HEC401 4.3 97.9 1.0
C2C C:HEC401 4.3 86.4 1.0
C2A C:HEC401 4.3 0.9 1.0
C3D C:HEC401 4.3 95.9 1.0
C2D C:HEC401 4.3 0.2 1.0
CB C:MET74 4.3 94.5 1.0
C3C C:HEC401 4.3 91.9 1.0

Iron binding site 2 out of 6 in 6zid

Go back to Iron Binding Sites List in 6zid
Iron binding site 2 out of 6 in the Ultrafast Structural Response to Charge Redistribution Within A Photosynthetic Reaction Centre - 5 Ps (B) Structure


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Ultrafast Structural Response to Charge Redistribution Within A Photosynthetic Reaction Centre - 5 Ps (B) Structure within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Fe402

b:87.5
occ:1.00
FE C:HEC402 0.0 87.5 1.0
NE2 C:HIS136 2.0 84.2 1.0
NB C:HEC402 2.0 89.9 1.0
NC C:HEC402 2.1 91.0 1.0
NA C:HEC402 2.1 90.2 1.0
ND C:HEC402 2.1 92.6 1.0
SD C:MET110 2.3 89.2 1.0
CE1 C:HIS136 2.8 85.4 1.0
C4B C:HEC402 3.0 89.0 1.0
C1C C:HEC402 3.1 89.0 1.0
C4A C:HEC402 3.1 86.4 1.0
C1B C:HEC402 3.1 87.3 1.0
C1A C:HEC402 3.1 91.2 1.0
C1D C:HEC402 3.1 93.3 1.0
CD2 C:HIS136 3.1 84.2 1.0
C4C C:HEC402 3.1 86.1 1.0
C4D C:HEC402 3.1 97.2 1.0
CG C:MET110 3.4 90.2 1.0
CHC C:HEC402 3.4 91.1 1.0
CE C:MET110 3.4 85.6 1.0
CHB C:HEC402 3.4 86.7 1.0
CHD C:HEC402 3.4 90.2 1.0
CHA C:HEC402 3.4 94.2 1.0
ND1 C:HIS136 4.0 81.9 1.0
CB C:MET110 4.1 87.8 1.0
CG C:HIS136 4.1 84.7 1.0
C3B C:HEC402 4.3 87.5 1.0
C2B C:HEC402 4.3 89.4 1.0
C3A C:HEC402 4.3 89.8 1.0
C2A C:HEC402 4.3 91.2 1.0
C2C C:HEC402 4.3 84.8 1.0
C2D C:HEC402 4.3 92.6 1.0
C3C C:HEC402 4.3 86.7 1.0
C3D C:HEC402 4.3 94.3 1.0

Iron binding site 3 out of 6 in 6zid

Go back to Iron Binding Sites List in 6zid
Iron binding site 3 out of 6 in the Ultrafast Structural Response to Charge Redistribution Within A Photosynthetic Reaction Centre - 5 Ps (B) Structure


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Ultrafast Structural Response to Charge Redistribution Within A Photosynthetic Reaction Centre - 5 Ps (B) Structure within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Fe403

b:77.5
occ:1.00
FE C:HEC403 0.0 77.5 1.0
NE2 C:HIS248 1.9 79.5 1.0
NB C:HEC403 2.0 73.8 1.0
NA C:HEC403 2.1 77.3 1.0
NC C:HEC403 2.1 75.5 1.0
ND C:HEC403 2.1 75.5 1.0
SD C:MET233 2.3 81.3 1.0
CD2 C:HIS248 2.9 77.5 1.0
CE1 C:HIS248 2.9 79.0 1.0
C4B C:HEC403 3.0 75.8 1.0
C4A C:HEC403 3.0 76.9 1.0
C1B C:HEC403 3.0 76.7 1.0
C1D C:HEC403 3.1 78.2 1.0
C1C C:HEC403 3.1 74.6 1.0
C1A C:HEC403 3.1 77.7 1.0
C4C C:HEC403 3.1 77.7 1.0
C4D C:HEC403 3.1 76.7 1.0
CHB C:HEC403 3.4 77.3 1.0
CHC C:HEC403 3.4 74.6 1.0
CHD C:HEC403 3.4 80.1 1.0
CG C:MET233 3.4 82.5 1.0
CHA C:HEC403 3.5 77.5 1.0
CE C:MET233 3.5 85.2 1.0
ND1 C:HIS248 4.0 77.3 1.0
CG C:HIS248 4.1 76.6 1.0
CB C:MET233 4.2 83.6 1.0
C3B C:HEC403 4.3 74.3 1.0
C2B C:HEC403 4.3 75.4 1.0
C3A C:HEC403 4.3 77.3 1.0
C2D C:HEC403 4.3 78.6 1.0
C2C C:HEC403 4.3 77.8 1.0
C2A C:HEC403 4.3 77.8 1.0
C3D C:HEC403 4.3 77.8 1.0
C3C C:HEC403 4.3 77.5 1.0

Iron binding site 4 out of 6 in 6zid

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Iron binding site 4 out of 6 in the Ultrafast Structural Response to Charge Redistribution Within A Photosynthetic Reaction Centre - 5 Ps (B) Structure


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Ultrafast Structural Response to Charge Redistribution Within A Photosynthetic Reaction Centre - 5 Ps (B) Structure within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Fe404

b:81.8
occ:1.00
FE C:HEC404 0.0 81.8 1.0
NE2 C:HIS309 2.0 77.0 1.0
NB C:HEC404 2.0 83.1 1.0
NE2 C:HIS124 2.1 83.3 1.0
NC C:HEC404 2.1 83.7 1.0
NA C:HEC404 2.1 85.3 1.0
ND C:HEC404 2.1 85.5 1.0
CE1 C:HIS124 2.8 83.6 1.0
CE1 C:HIS309 2.9 78.3 1.0
C4B C:HEC404 3.0 81.4 1.0
C1C C:HEC404 3.1 83.2 1.0
CD2 C:HIS309 3.1 78.2 1.0
C1B C:HEC404 3.1 81.3 1.0
C1D C:HEC404 3.1 86.3 1.0
C4A C:HEC404 3.1 81.3 1.0
C1A C:HEC404 3.1 83.8 1.0
C4C C:HEC404 3.1 80.7 1.0
C4D C:HEC404 3.1 87.3 1.0
CD2 C:HIS124 3.2 84.7 1.0
CHC C:HEC404 3.4 84.4 1.0
CHD C:HEC404 3.4 83.9 1.0
CHB C:HEC404 3.4 83.0 1.0
CHA C:HEC404 3.5 82.6 1.0
ND1 C:HIS124 4.0 83.0 1.0
ND1 C:HIS309 4.0 78.0 1.0
CG C:HIS309 4.2 78.7 1.0
CG C:HIS124 4.2 82.2 1.0
C3B C:HEC404 4.3 80.0 1.0
C2B C:HEC404 4.3 81.8 1.0
C2C C:HEC404 4.3 79.6 1.0
C2A C:HEC404 4.3 80.6 1.0
C3A C:HEC404 4.3 81.3 1.0
C2D C:HEC404 4.3 88.3 1.0
C3D C:HEC404 4.3 88.7 1.0
C3C C:HEC404 4.3 81.4 1.0
CG C:PRO315 4.9 80.6 1.0

Iron binding site 5 out of 6 in 6zid

Go back to Iron Binding Sites List in 6zid
Iron binding site 5 out of 6 in the Ultrafast Structural Response to Charge Redistribution Within A Photosynthetic Reaction Centre - 5 Ps (B) Structure


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Ultrafast Structural Response to Charge Redistribution Within A Photosynthetic Reaction Centre - 5 Ps (B) Structure within 5.0Å range:
probe atom residue distance (Å) B Occ
M:Fe401

b:81.4
occ:0.70
FE M:FE401 0.0 81.4 0.7
FE M:FE401 0.2 81.4 0.3
NE2 L:HIS190 2.0 80.6 0.3
NE2 L:HIS190 2.0 80.6 0.7
OE2 M:GLU232 2.1 78.6 0.3
OE2 M:GLU232 2.2 78.6 0.7
NE2 M:HIS217 2.2 79.7 0.7
NE2 M:HIS264 2.2 79.2 0.7
OE1 M:GLU232 2.3 80.8 0.3
NE2 M:HIS217 2.3 79.7 0.3
NE2 L:HIS230 2.3 85.8 0.7
NE2 M:HIS264 2.3 79.2 0.3
OE1 M:GLU232 2.3 80.8 0.7
NE2 L:HIS230 2.4 85.8 0.3
CD M:GLU232 2.5 79.2 0.3
CD M:GLU232 2.6 79.2 0.7
CE1 L:HIS190 2.9 81.9 0.7
CE1 L:HIS190 2.9 81.9 0.3
CD2 L:HIS190 3.1 78.7 0.3
CE1 M:HIS217 3.1 80.4 0.7
CD2 L:HIS190 3.1 78.7 0.7
CE1 M:HIS217 3.2 80.4 0.3
CE1 M:HIS264 3.2 80.7 0.7
CE1 L:HIS230 3.2 84.3 0.7
CE1 M:HIS264 3.2 80.7 0.3
CD2 M:HIS264 3.2 78.0 0.7
CD2 M:HIS217 3.3 75.9 0.7
CE1 L:HIS230 3.3 84.3 0.3
CD2 M:HIS217 3.3 75.9 0.3
CD2 M:HIS264 3.3 78.0 0.3
CD2 L:HIS230 3.3 83.8 0.7
CD2 L:HIS230 3.3 83.8 0.3
ND1 L:HIS190 4.0 77.7 0.7
ND1 L:HIS190 4.0 77.7 0.3
CG M:GLU232 4.1 82.2 0.3
CG M:GLU232 4.1 82.2 0.7
CG L:HIS190 4.2 75.2 0.3
CG L:HIS190 4.2 75.2 0.7
ND1 M:HIS217 4.3 79.1 0.7
ND1 M:HIS217 4.3 79.1 0.3
ND1 M:HIS264 4.3 82.9 0.7
ND1 L:HIS230 4.4 85.9 0.7
ND1 M:HIS264 4.4 82.9 0.3
CG M:HIS264 4.4 79.2 0.7
CG M:HIS217 4.4 79.9 0.7
CG M:HIS217 4.4 79.9 0.3
ND1 L:HIS230 4.4 85.9 0.3
CG L:HIS230 4.4 83.7 0.7
CG M:HIS264 4.5 79.2 0.3
CG L:HIS230 4.5 83.7 0.3
CG1 M:ILE221 4.5 85.0 0.3
CG1 L:ILE194 4.5 86.4 1.0
CG1 M:ILE221 4.6 85.0 0.7
CD1 M:ILE221 4.8 82.4 0.3
CB M:GLU232 4.9 82.9 0.3
CD1 L:ILE194 5.0 87.0 1.0
CB M:GLU232 5.0 82.9 0.7

Iron binding site 6 out of 6 in 6zid

Go back to Iron Binding Sites List in 6zid
Iron binding site 6 out of 6 in the Ultrafast Structural Response to Charge Redistribution Within A Photosynthetic Reaction Centre - 5 Ps (B) Structure


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Ultrafast Structural Response to Charge Redistribution Within A Photosynthetic Reaction Centre - 5 Ps (B) Structure within 5.0Å range:
probe atom residue distance (Å) B Occ
M:Fe401

b:81.4
occ:0.30
FE M:FE401 0.0 81.4 0.3
FE M:FE401 0.2 81.4 0.7
OE2 M:GLU232 2.1 78.6 0.3
OE2 M:GLU232 2.1 78.6 0.7
NE2 L:HIS190 2.1 80.6 0.3
NE2 L:HIS190 2.1 80.6 0.7
NE2 M:HIS217 2.1 79.7 0.7
NE2 L:HIS230 2.2 85.8 0.7
NE2 M:HIS217 2.2 79.7 0.3
NE2 L:HIS230 2.2 85.8 0.3
OE1 M:GLU232 2.3 80.8 0.3
NE2 M:HIS264 2.4 79.2 0.7
OE1 M:GLU232 2.4 80.8 0.7
NE2 M:HIS264 2.4 79.2 0.3
CD M:GLU232 2.5 79.2 0.3
CD M:GLU232 2.6 79.2 0.7
CE1 L:HIS190 3.0 81.9 0.7
CE1 L:HIS190 3.0 81.9 0.3
CE1 M:HIS217 3.0 80.4 0.7
CE1 M:HIS217 3.1 80.4 0.3
CE1 L:HIS230 3.1 84.3 0.7
CD2 L:HIS190 3.2 78.7 0.3
CD2 L:HIS230 3.2 83.8 0.7
CD2 L:HIS190 3.2 78.7 0.7
CE1 L:HIS230 3.2 84.3 0.3
CD2 M:HIS217 3.2 75.9 0.7
CD2 L:HIS230 3.2 83.8 0.3
CD2 M:HIS217 3.2 75.9 0.3
CE1 M:HIS264 3.3 80.7 0.7
CE1 M:HIS264 3.3 80.7 0.3
CD2 M:HIS264 3.4 78.0 0.7
CD2 M:HIS264 3.5 78.0 0.3
CG M:GLU232 4.0 82.2 0.3
CG M:GLU232 4.1 82.2 0.7
ND1 L:HIS190 4.1 77.7 0.7
ND1 L:HIS190 4.1 77.7 0.3
ND1 M:HIS217 4.2 79.1 0.7
ND1 M:HIS217 4.2 79.1 0.3
ND1 L:HIS230 4.3 85.9 0.7
CG L:HIS190 4.3 75.2 0.3
CG L:HIS190 4.3 75.2 0.7
CG M:HIS217 4.3 79.9 0.7
CG L:HIS230 4.3 83.7 0.7
CG M:HIS217 4.3 79.9 0.3
ND1 L:HIS230 4.3 85.9 0.3
CG1 M:ILE221 4.3 85.0 0.3
CG L:HIS230 4.4 83.7 0.3
ND1 M:HIS264 4.4 82.9 0.7
CG1 M:ILE221 4.4 85.0 0.7
ND1 M:HIS264 4.5 82.9 0.3
CG M:HIS264 4.5 79.2 0.7
CG M:HIS264 4.6 79.2 0.3
CD1 M:ILE221 4.6 82.4 0.3
CG1 L:ILE194 4.7 86.4 1.0
CB M:GLU232 4.9 82.9 0.3

Reference:

R.Dods, P.Baath, D.Morozov, V.A.Gagner, A.Arnlund, H.L.Luk, J.Kuebel, M.Maj, A.Vallejos, C.Wickstrand, R.Bosman, K.R.Beyerlein, G.Nelson, M.Liang, D.Milathianaki, J.Robinson, R.Harimoorthy, P.Berntsen, E.Malmerberg, L.Johansson, R.Andersson, S.Carbajo, E.Claesson, C.E.Conrad, P.Dahl, G.Hammarin, M.S.Hunter, C.Li, S.Lisova, A.Royant, C.Safari, A.Sharma, G.J.Williams, O.Yefanov, S.Westenhoff, J.Davidsson, D.P.Deponte, S.Boutet, A.Barty, G.Katona, G.Groenhof, G.Braenden, R.Neutze. Ultrafast Structural Changes Within A Photosynthetic Reaction Centre Nature 2020.
ISSN: ESSN 1476-4687
DOI: 10.1038/S41586-020-3000-7
Page generated: Wed Aug 6 17:27:42 2025

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