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:
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
Go back to
Iron Binding Sites List in 8gn2
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
Go back to
Iron Binding Sites List in 8gn2
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
Go back to
Iron Binding Sites List in 8gn2
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
Go back to
Iron Binding Sites List in 8gn2
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
Go back to
Iron Binding Sites List in 8gn2
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
Go back to
Iron Binding Sites List in 8gn2
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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