Chlorine in PDB 8ir5: Xfel Structure of Cyanobacterial Photosystem II Under Dark Conditions
Enzymatic activity of Xfel Structure of Cyanobacterial Photosystem II Under Dark Conditions
All present enzymatic activity of Xfel Structure of Cyanobacterial Photosystem II Under Dark Conditions:
1.10.3.9;
Protein crystallography data
The structure of Xfel Structure of Cyanobacterial Photosystem II Under Dark Conditions, PDB code: 8ir5
was solved by
H.Li,
M.Suga,
J.R.Shen,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
19.98 /
2.15
|
Space group
|
P 21 21 21
|
Cell size a, b, c (Å), α, β, γ (°)
|
125.75,
231.6,
288.28,
90,
90,
90
|
R / Rfree (%)
|
14.5 /
17.5
|
Other elements in 8ir5:
The structure of Xfel Structure of Cyanobacterial Photosystem II Under Dark Conditions also contains other interesting chemical elements:
Chlorine Binding Sites:
The binding sites of Chlorine atom in the Xfel Structure of Cyanobacterial Photosystem II Under Dark Conditions
(pdb code 8ir5). This binding sites where shown within
5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the
Xfel Structure of Cyanobacterial Photosystem II Under Dark Conditions, PDB code: 8ir5:
Jump to Chlorine binding site number:
1;
2;
3;
4;
Chlorine binding site 1 out
of 4 in 8ir5
Go back to
Chlorine Binding Sites List in 8ir5
Chlorine binding site 1 out
of 4 in the Xfel Structure of Cyanobacterial Photosystem II Under Dark Conditions
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 1 of Xfel Structure of Cyanobacterial Photosystem II Under Dark Conditions within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl402
b:43.6
occ:1.00
|
O
|
D:HOH578
|
3.0
|
44.4
|
1.0
|
NZ
|
D:LYS317
|
3.1
|
42.7
|
1.0
|
O
|
A:HOH567
|
3.4
|
48.4
|
1.0
|
N
|
A:GLU333
|
3.4
|
39.9
|
1.0
|
ND2
|
A:ASN181
|
3.4
|
42.8
|
1.0
|
CA
|
A:HIS332
|
3.8
|
41.6
|
1.0
|
CB
|
A:HIS332
|
3.8
|
39.8
|
1.0
|
CE
|
D:LYS317
|
3.8
|
44.0
|
1.0
|
CG
|
A:GLU333
|
4.0
|
40.4
|
1.0
|
C
|
A:HIS332
|
4.1
|
41.9
|
1.0
|
OD1
|
A:ASN181
|
4.1
|
42.5
|
1.0
|
CG
|
A:ASN181
|
4.2
|
44.4
|
1.0
|
O
|
D:HOH513
|
4.2
|
44.6
|
1.0
|
CA
|
A:GLU333
|
4.3
|
45.6
|
1.0
|
CG2
|
A:VAL185
|
4.3
|
42.0
|
1.0
|
CD1
|
D:LEU321
|
4.4
|
41.9
|
1.0
|
CD2
|
D:LEU321
|
4.4
|
41.2
|
1.0
|
O
|
A:HOH580
|
4.5
|
47.4
|
1.0
|
CB
|
D:LYS317
|
4.5
|
41.5
|
1.0
|
CG
|
D:LEU321
|
4.7
|
44.4
|
1.0
|
CG
|
D:LYS317
|
4.7
|
44.3
|
1.0
|
CB
|
A:GLU333
|
4.8
|
43.9
|
1.0
|
CG
|
A:HIS332
|
4.8
|
47.5
|
1.0
|
CD
|
D:LYS317
|
4.9
|
46.8
|
1.0
|
O
|
D:LYS317
|
4.9
|
44.2
|
1.0
|
OE2
|
A:GLU333
|
5.0
|
46.6
|
1.0
|
CD
|
A:GLU333
|
5.0
|
45.6
|
1.0
|
|
Chlorine binding site 2 out
of 4 in 8ir5
Go back to
Chlorine Binding Sites List in 8ir5
Chlorine binding site 2 out
of 4 in the Xfel Structure of Cyanobacterial Photosystem II Under Dark Conditions
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 2 of Xfel Structure of Cyanobacterial Photosystem II Under Dark Conditions within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl403
b:47.5
occ:1.00
|
O
|
C:HOH705
|
3.1
|
47.2
|
1.0
|
O
|
A:HOH588
|
3.1
|
51.1
|
1.0
|
N
|
A:ASN338
|
3.1
|
45.3
|
1.0
|
N
|
C:GLU354
|
3.4
|
48.2
|
1.0
|
N
|
A:PHE339
|
3.6
|
48.6
|
1.0
|
CA
|
A:HIS337
|
3.7
|
49.2
|
1.0
|
CD2
|
A:PHE339
|
3.8
|
48.9
|
1.0
|
CA
|
C:GLY353
|
3.8
|
45.1
|
1.0
|
C
|
A:HIS337
|
3.9
|
47.5
|
1.0
|
CA
|
A:ASN338
|
4.1
|
48.4
|
1.0
|
C
|
C:GLY353
|
4.1
|
49.9
|
1.0
|
CB
|
C:GLU354
|
4.2
|
45.8
|
1.0
|
CB
|
A:HIS337
|
4.2
|
45.2
|
1.0
|
O
|
A:ALA336
|
4.2
|
48.8
|
1.0
|
CA
|
C:GLU354
|
4.3
|
47.0
|
1.0
|
CB
|
A:PHE339
|
4.3
|
47.2
|
1.0
|
C
|
A:ASN338
|
4.3
|
47.8
|
1.0
|
CB
|
A:ASN338
|
4.4
|
47.0
|
1.0
|
O
|
C:HOH693
|
4.4
|
47.2
|
1.0
|
CG
|
A:PHE339
|
4.4
|
50.8
|
1.0
|
CA
|
A:PHE339
|
4.5
|
50.5
|
1.0
|
O
|
A:PHE339
|
4.5
|
45.8
|
1.0
|
O
|
C:HOH737
|
4.6
|
50.4
|
1.0
|
CE2
|
A:PHE339
|
4.6
|
47.7
|
1.0
|
N
|
A:HIS337
|
4.8
|
44.4
|
1.0
|
N
|
C:THR355
|
4.9
|
43.2
|
1.0
|
CD2
|
A:HIS337
|
4.9
|
42.2
|
1.0
|
CG
|
A:HIS337
|
4.9
|
46.2
|
1.0
|
C
|
A:PHE339
|
5.0
|
47.8
|
1.0
|
CG
|
A:ASN338
|
5.0
|
50.7
|
1.0
|
C
|
A:ALA336
|
5.0
|
47.3
|
1.0
|
|
Chlorine binding site 3 out
of 4 in 8ir5
Go back to
Chlorine Binding Sites List in 8ir5
Chlorine binding site 3 out
of 4 in the Xfel Structure of Cyanobacterial Photosystem II Under Dark Conditions
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 3 of Xfel Structure of Cyanobacterial Photosystem II Under Dark Conditions within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
a:Cl402
b:50.1
occ:1.00
|
NZ
|
d:LYS317
|
3.0
|
47.2
|
1.0
|
O
|
d:HOH557
|
3.1
|
55.3
|
1.0
|
ND2
|
a:ASN181
|
3.4
|
45.6
|
1.0
|
O
|
a:HOH574
|
3.4
|
48.5
|
1.0
|
N
|
a:GLU333
|
3.4
|
46.4
|
1.0
|
CE
|
d:LYS317
|
3.7
|
47.2
|
1.0
|
CB
|
a:HIS332
|
3.8
|
46.5
|
1.0
|
CA
|
a:HIS332
|
3.8
|
48.1
|
1.0
|
CG
|
a:GLU333
|
4.0
|
47.5
|
1.0
|
C
|
a:HIS332
|
4.1
|
45.4
|
1.0
|
OD1
|
a:ASN181
|
4.2
|
47.9
|
1.0
|
CG
|
a:ASN181
|
4.2
|
47.6
|
1.0
|
CG2
|
a:VAL185
|
4.2
|
47.3
|
1.0
|
O
|
a:HOH539
|
4.3
|
48.8
|
1.0
|
CA
|
a:GLU333
|
4.3
|
46.6
|
1.0
|
CD1
|
d:LEU321
|
4.4
|
44.2
|
1.0
|
CD2
|
d:LEU321
|
4.4
|
45.5
|
1.0
|
O
|
a:HOH568
|
4.5
|
51.1
|
1.0
|
CB
|
d:LYS317
|
4.5
|
42.9
|
1.0
|
CG
|
d:LEU321
|
4.7
|
53.1
|
1.0
|
CG
|
a:HIS332
|
4.7
|
49.4
|
1.0
|
CB
|
a:GLU333
|
4.7
|
47.1
|
1.0
|
CG
|
d:LYS317
|
4.8
|
44.8
|
1.0
|
CD2
|
a:HIS332
|
4.9
|
50.3
|
1.0
|
CD
|
d:LYS317
|
4.9
|
49.0
|
1.0
|
O
|
d:LYS317
|
4.9
|
48.1
|
1.0
|
CD
|
a:GLU333
|
5.0
|
52.3
|
1.0
|
OE2
|
a:GLU333
|
5.0
|
50.1
|
1.0
|
|
Chlorine binding site 4 out
of 4 in 8ir5
Go back to
Chlorine Binding Sites List in 8ir5
Chlorine binding site 4 out
of 4 in the Xfel Structure of Cyanobacterial Photosystem II Under Dark Conditions
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 4 of Xfel Structure of Cyanobacterial Photosystem II Under Dark Conditions within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
a:Cl403
b:52.7
occ:1.00
|
O
|
a:HOH618
|
2.9
|
57.0
|
1.0
|
O
|
c:HOH679
|
3.0
|
51.5
|
1.0
|
N
|
a:ASN338
|
3.2
|
54.1
|
1.0
|
N
|
c:GLU354
|
3.5
|
48.4
|
1.0
|
CA
|
a:HIS337
|
3.6
|
49.0
|
1.0
|
N
|
a:PHE339
|
3.7
|
52.5
|
1.0
|
CD2
|
a:PHE339
|
3.7
|
52.3
|
1.0
|
CA
|
c:GLY353
|
3.9
|
50.8
|
1.0
|
C
|
a:HIS337
|
3.9
|
50.0
|
1.0
|
CA
|
a:ASN338
|
4.1
|
56.6
|
1.0
|
CB
|
a:HIS337
|
4.2
|
43.5
|
1.0
|
C
|
c:GLY353
|
4.2
|
54.5
|
1.0
|
O
|
a:ALA336
|
4.2
|
56.6
|
1.0
|
CB
|
c:GLU354
|
4.2
|
50.6
|
1.0
|
CB
|
a:PHE339
|
4.3
|
51.7
|
1.0
|
CG
|
a:PHE339
|
4.4
|
53.8
|
1.0
|
O
|
c:HOH698
|
4.4
|
51.2
|
1.0
|
C
|
a:ASN338
|
4.4
|
55.5
|
1.0
|
CB
|
a:ASN338
|
4.4
|
53.5
|
1.0
|
CA
|
c:GLU354
|
4.4
|
48.8
|
1.0
|
CE2
|
a:PHE339
|
4.5
|
57.8
|
1.0
|
O
|
a:PHE339
|
4.5
|
54.3
|
1.0
|
CA
|
a:PHE339
|
4.5
|
57.6
|
1.0
|
O
|
a:HOH623
|
4.6
|
52.6
|
1.0
|
N
|
a:HIS337
|
4.8
|
48.1
|
1.0
|
CD2
|
a:HIS337
|
4.9
|
48.2
|
1.0
|
CG
|
a:HIS337
|
4.9
|
50.8
|
1.0
|
CG
|
c:GLU354
|
4.9
|
53.9
|
1.0
|
C
|
a:ALA336
|
5.0
|
55.7
|
1.0
|
N
|
c:THR355
|
5.0
|
45.8
|
1.0
|
C
|
a:PHE339
|
5.0
|
55.9
|
1.0
|
NE2
|
c:GLN313
|
5.0
|
50.3
|
1.0
|
O
|
c:GLY352
|
5.0
|
51.6
|
1.0
|
|
Reference:
H.Li,
Y.Nakajima,
E.Nango,
S.Owada,
D.Yamada,
K.Hashimoto,
F.Luo,
R.Tanaka,
F.Akita,
K.Kato,
J.M.Kang,
Y.Saitoh,
S.Kishi,
H.Yu,
N.Matsubara,
H.Fujii,
M.Sugahara,
M.Suzuki,
T.Masuda,
T.Kimura,
T.N.Thao,
S.Yonekura,
L.J.Yu,
T.Tosha,
K.Tono,
Y.Joti,
T.Hatsui,
M.Yabashi,
M.Kubo,
S.Iwata,
H.Isobe,
K.Yamaguchi,
M.Suga,
J.R.Shen.
Oxygen-Evolving Photosystem II Structures During S1-S2-S3 Transitions. Nature 2024.
ISSN: ESSN 1476-4687
DOI: 10.1038/S41586-023-06987-5
Page generated: Tue Jul 30 10:34:59 2024
|