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Chlorine in PDB 6jlj: Xfel Structure of Cyanobacterial Photosystem II (Dark State, DATASET1)

Enzymatic activity of Xfel Structure of Cyanobacterial Photosystem II (Dark State, DATASET1)

All present enzymatic activity of Xfel Structure of Cyanobacterial Photosystem II (Dark State, DATASET1):
1.10.3.9;

Protein crystallography data

The structure of Xfel Structure of Cyanobacterial Photosystem II (Dark State, DATASET1), PDB code: 6jlj 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) 19.99 / 2.15
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 121.970, 228.720, 286.980, 90.00, 90.00, 90.00
R / Rfree (%) 15.2 / 19.8

Other elements in 6jlj:

The structure of Xfel Structure of Cyanobacterial Photosystem II (Dark State, DATASET1) also contains other interesting chemical elements:

Magnesium (Mg) 72 atoms
Manganese (Mn) 8 atoms
Iron (Fe) 6 atoms
Calcium (Ca) 11 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Xfel Structure of Cyanobacterial Photosystem II (Dark State, DATASET1) (pdb code 6jlj). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the Xfel Structure of Cyanobacterial Photosystem II (Dark State, DATASET1), PDB code: 6jlj:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in 6jlj

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Chlorine binding site 1 out of 6 in the Xfel Structure of Cyanobacterial Photosystem II (Dark State, DATASET1)


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 (Dark State, DATASET1) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl402

b:32.6
occ:1.00
 NZ D:LYS317 3.0 30.7 1.0
O D:HOH570 3.2 30.9 1.0
O A:HOH565 3.2 32.5 1.0
ND2 A:ASN181 3.3 31.9 1.0
N A:GLU333 3.5 35.5 1.0
CB A:HIS332 3.8 28.1 1.0
CE D:LYS317 3.8 34.2 1.0
CA A:HIS332 3.9 36.4 1.0
CG A:GLU333 4.0 33.8 1.0
C A:HIS332 4.2 38.6 1.0
CG2 A:VAL185 4.2 35.2 1.0
CG A:ASN181 4.2 34.0 1.0
OD1 A:ASN181 4.2 41.2 1.0
O D:HOH514 4.3 35.4 1.0
CA A:GLU333 4.4 38.5 1.0
CD2 D:LEU321 4.4 33.6 1.0
CB D:LYS317 4.4 33.7 1.0
CD1 D:LEU321 4.5 25.2 1.0
CG D:LEU321 4.7 34.7 1.0
CG A:HIS332 4.7 34.5 1.0
O A:HOH593 4.8 35.0 1.0
CG D:LYS317 4.8 30.2 1.0
CB A:GLU333 4.8 29.5 1.0
CD D:LYS317 4.9 29.9 1.0
CD2 A:HIS332 4.9 30.4 1.0
CD A:GLU333 4.9 46.2 1.0

Chlorine binding site 2 out of 6 in 6jlj

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Chlorine binding site 2 out of 6 in the Xfel Structure of Cyanobacterial Photosystem II (Dark State, DATASET1)


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 (Dark State, DATASET1) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl403

b:35.1
occ:1.00
 O C:HOH733 3.0 33.6 1.0
N A:ASN338 3.1 34.4 1.0
O A:HOH610 3.2 36.0 1.0
N C:GLU354 3.5 32.4 1.0
CA A:HIS337 3.6 38.7 1.0
N A:PHE339 3.7 38.7 1.0
CD2 A:PHE339 3.8 33.5 1.0
CA C:GLY353 3.8 34.0 1.0
C A:HIS337 3.8 40.0 1.0
CA A:ASN338 4.1 35.3 1.0
C C:GLY353 4.1 35.6 1.0
O A:ALA336 4.2 40.0 1.0
CB A:HIS337 4.2 32.7 1.0
CB C:GLU354 4.3 29.6 1.0
CB A:PHE339 4.3 30.5 1.0
CB A:ASN338 4.4 40.4 1.0
C A:ASN338 4.4 39.0 1.0
CG A:PHE339 4.4 39.8 1.0
CA C:GLU354 4.5 31.4 1.0
O A:PHE339 4.5 39.9 1.0
O A:HOH624 4.5 32.6 1.0
O C:HOH645 4.5 37.9 1.0
CA A:PHE339 4.6 40.5 1.0
CE2 A:PHE339 4.6 39.5 1.0
CG C:GLU354 4.7 37.2 1.0
N A:HIS337 4.8 35.5 1.0
C A:ALA336 4.9 40.1 1.0
NE2 C:GLN313 4.9 36.6 1.0
N C:THR355 5.0 32.4 1.0
CG A:HIS337 5.0 36.8 1.0
O C:HOH616 5.0 31.1 1.0
C A:PHE339 5.0 41.5 1.0

Chlorine binding site 3 out of 6 in 6jlj

Go back to Chlorine Binding Sites List in 6jlj
Chlorine binding site 3 out of 6 in the Xfel Structure of Cyanobacterial Photosystem II (Dark State, DATASET1)


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 (Dark State, DATASET1) within 5.0Å range:
probe atom residue distance (Å) B Occ
U:Cl201

b:92.3
occ:1.00
 O B:HOH960 2.3 0.8 1.0
O V:HOH310 3.0 48.8 1.0
O B:HOH965 3.5 80.2 1.0
O V:HOH378 3.8 0.7 1.0
NZ U:LYS104 3.9 35.2 1.0
O1 B:GOL629 4.0 72.1 1.0
O B:HOH942 4.1 56.6 1.0
O U:HOH380 4.3 88.9 1.0
OD2 V:ASP53 4.5 41.6 1.0
O V:HOH366 4.5 46.3 1.0
NH1 V:ARG55 4.6 48.4 0.5
O2 B:GOL629 4.6 56.9 1.0
O U:HOH384 4.8 70.2 1.0
CE U:LYS104 4.9 37.1 1.0
O V:HOH337 5.0 43.0 1.0

Chlorine binding site 4 out of 6 in 6jlj

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Chlorine binding site 4 out of 6 in the Xfel Structure of Cyanobacterial Photosystem II (Dark State, DATASET1)


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 (Dark State, DATASET1) within 5.0Å range:
probe atom residue distance (Å) B Occ
a:Cl407

b:36.2
occ:1.00
 O d:HOH597 3.0 37.2 1.0
NZ d:LYS317 3.2 34.0 1.0
O a:HOH584 3.4 34.7 1.0
ND2 a:ASN181 3.4 33.4 1.0
N a:GLU333 3.4 39.2 1.0
CB a:HIS332 3.7 30.9 1.0
CA a:HIS332 3.8 35.2 1.0
CE d:LYS317 3.9 33.4 1.0
CG a:GLU333 4.0 38.8 1.0
OD1 a:ASN181 4.1 35.4 1.0
C a:HIS332 4.1 41.6 1.0
CG2 a:VAL185 4.2 35.3 1.0
CG a:ASN181 4.2 40.4 1.0
O a:HOH534 4.3 32.3 1.0
CD2 d:LEU321 4.3 33.5 1.0
CA a:GLU333 4.3 38.7 1.0
O a:HOH593 4.5 37.2 1.0
CB d:LYS317 4.5 33.0 1.0
CD1 d:LEU321 4.5 26.9 1.0
CG d:LEU321 4.6 31.4 1.0
CG a:HIS332 4.7 36.8 1.0
CB a:GLU333 4.7 32.2 1.0
CD a:GLU333 4.8 46.2 1.0
OE2 a:GLU333 4.9 37.4 1.0
CD2 a:HIS332 4.9 34.5 1.0
CG d:LYS317 4.9 26.5 1.0

Chlorine binding site 5 out of 6 in 6jlj

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Chlorine binding site 5 out of 6 in the Xfel Structure of Cyanobacterial Photosystem II (Dark State, DATASET1)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Xfel Structure of Cyanobacterial Photosystem II (Dark State, DATASET1) within 5.0Å range:
probe atom residue distance (Å) B Occ
a:Cl408

b:41.2
occ:1.00
 O a:HOH629 3.0 49.6 1.0
O c:HOH690 3.0 37.4 1.0
N a:ASN338 3.1 38.6 1.0
N c:GLU354 3.4 38.7 1.0
CA a:HIS337 3.6 37.0 1.0
N a:PHE339 3.7 37.4 1.0
CD2 a:PHE339 3.7 38.4 1.0
CA c:GLY353 3.8 36.3 1.0
C a:HIS337 3.9 42.6 1.0
C c:GLY353 4.1 48.5 1.0
CA a:ASN338 4.1 34.3 1.0
CB a:HIS337 4.1 31.2 1.0
O a:ALA336 4.1 34.1 1.0
CB a:PHE339 4.2 34.2 1.0
CB c:GLU354 4.3 39.2 1.0
CG a:PHE339 4.3 45.3 1.0
O c:HOH758 4.3 39.1 1.0
CB a:ASN338 4.4 36.8 1.0
C a:ASN338 4.4 40.4 1.0
O c:HOH698 4.4 44.5 1.0
CA c:GLU354 4.4 38.4 1.0
CA a:PHE339 4.5 36.9 1.0
CE2 a:PHE339 4.5 42.1 1.0
O a:PHE339 4.5 42.6 1.0
CG c:GLU354 4.7 45.1 1.0
N a:HIS337 4.8 38.2 1.0
CD2 a:HIS337 4.9 33.9 1.0
CG a:HIS337 4.9 35.0 1.0
N c:THR355 4.9 33.4 1.0
C a:ALA336 4.9 39.9 1.0
O c:GLY352 4.9 34.0 1.0
NE2 c:GLN313 5.0 36.3 1.0
O c:HOH618 5.0 42.5 1.0
C a:PHE339 5.0 43.4 1.0
CG a:ASN338 5.0 42.4 1.0
N c:GLY353 5.0 42.0 1.0

Chlorine binding site 6 out of 6 in 6jlj

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Chlorine binding site 6 out of 6 in the Xfel Structure of Cyanobacterial Photosystem II (Dark State, DATASET1)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Xfel Structure of Cyanobacterial Photosystem II (Dark State, DATASET1) within 5.0Å range:
probe atom residue distance (Å) B Occ
v:Cl204

b:94.3
occ:1.00
 O b:HOH849 2.4 0.4 1.0
O u:HOH224 2.7 85.8 1.0
O v:HOH328 2.9 59.3 1.0
NH1 v:ARG55 4.0 89.4 1.0
NZ u:LYS104 4.1 41.6 1.0
O1 b:GOL604 4.4 90.5 1.0
O v:HOH374 4.4 86.8 1.0
O v:HOH303 4.5 83.9 1.0
OD2 v:ASP53 4.7 46.1 1.0
O v:HOH367 4.7 64.0 1.0
O v:HOH343 4.9 64.7 1.0

Reference:

M.Suga, F.Akita, K.Yamashita, Y.Nakajima, G.Ueno, H.Li, T.Yamane, K.Hirata, Y.Umena, S.Yonekura, L.J.Yu, H.Murakami, T.Nomura, T.Kimura, M.Kubo, S.Baba, T.Kumasaka, K.Tono, M.Yabashi, H.Isobe, K.Yamaguchi, M.Yamamoto, H.Ago, J.R.Shen. An Oxyl/Oxo Mechanism For Oxygen-Oxygen Coupling in Psii Revealed By An X-Ray Free-Electron Laser. Science V. 366 334 2019.
ISSN: ESSN 1095-9203
PubMed: 31624207
DOI: 10.1126/SCIENCE.AAX6998
Page generated: Sat Jul 12 16:05:18 2025

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