Manganese in PDB 8gn0: Crystal Structure of Dcbq-Bound Photosystem II Complex

Enzymatic activity of Crystal Structure of Dcbq-Bound Photosystem II Complex

All present enzymatic activity of Crystal Structure of Dcbq-Bound Photosystem II Complex:
1.10.3.9;

Protein crystallography data

The structure of Crystal Structure of Dcbq-Bound Photosystem II Complex, PDB code: 8gn0 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) 49.00 / 2.15
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 121.223, 228.205, 286.997, 90, 90, 90
R / Rfree (%) 15.2 / 18.5

Other elements in 8gn0:

The structure of Crystal Structure of Dcbq-Bound Photosystem II Complex also contains other interesting chemical elements:

Calcium (Ca) 7 atoms
Chlorine (Cl) 12 atoms
Iron (Fe) 6 atoms
Magnesium (Mg) 74 atoms

Manganese Binding Sites:

The binding sites of Manganese atom in the Crystal Structure of Dcbq-Bound Photosystem II Complex (pdb code 8gn0). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 8 binding sites of Manganese where determined in the Crystal Structure of Dcbq-Bound Photosystem II Complex, PDB code: 8gn0:
Jump to Manganese binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Manganese binding site 1 out of 8 in 8gn0

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Manganese binding site 1 out of 8 in the Crystal Structure of Dcbq-Bound Photosystem II Complex


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A full contact list of Manganese with other atoms in the Mn binding site number 1 of Crystal Structure of Dcbq-Bound Photosystem II Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn401

b:43.9
occ:1.00
MN1 A:OEX401 0.0 43.9 1.0
OE2 A:GLU189 1.8 45.8 1.0
O1 A:OEX401 1.8 42.0 1.0
O3 A:OEX401 1.8 44.6 1.0
NE2 A:HIS332 2.1 46.4 1.0
OD2 A:ASP342 2.1 44.8 1.0
O5 A:OEX401 2.6 48.7 1.0
MN2 A:OEX401 2.9 46.1 1.0
CD A:GLU189 2.9 50.9 1.0
CD2 A:HIS332 3.1 40.9 1.0
CE1 A:HIS332 3.1 39.6 1.0
CG A:ASP342 3.1 44.8 1.0
MN3 A:OEX401 3.3 45.2 1.0
OD1 A:ASP342 3.4 42.7 1.0
OE1 A:GLU189 3.5 54.9 1.0
CA1 A:OEX401 3.5 52.6 1.0
O2 A:OEX401 3.7 51.0 1.0
O A:HOH524 3.9 62.4 1.0
NE2 A:HIS337 3.9 46.4 1.0
OE1 A:GLU333 4.0 44.2 1.0
CG A:GLU189 4.1 45.2 1.0
ND1 A:HIS332 4.2 42.9 1.0
CG A:HIS332 4.2 42.5 1.0
OXT A:ALA344 4.4 48.2 1.0
CB A:ASP342 4.5 40.3 1.0
CG1 A:VAL185 4.5 40.0 1.0
OE1 C:GLU354 4.5 49.1 1.0
CE1 A:HIS337 4.6 43.2 1.0
OE2 C:GLU354 4.7 48.0 1.0
CD A:GLU333 4.8 45.7 1.0
O A:HOH615 4.8 50.1 1.0
O A:ALA344 4.8 51.7 1.0
C A:ALA344 5.0 53.5 1.0
CD2 A:HIS337 5.0 44.2 1.0

Manganese binding site 2 out of 8 in 8gn0

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Manganese binding site 2 out of 8 in the Crystal Structure of Dcbq-Bound Photosystem II Complex


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A full contact list of Manganese with other atoms in the Mn binding site number 2 of Crystal Structure of Dcbq-Bound Photosystem II Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn401

b:46.1
occ:1.00
MN2 A:OEX401 0.0 46.1 1.0
OXT A:ALA344 1.9 48.2 1.0
O2 A:OEX401 2.0 51.0 1.0
O3 A:OEX401 2.0 44.6 1.0
O1 A:OEX401 2.0 42.0 1.0
OE1 C:GLU354 2.1 49.1 1.0
OD1 A:ASP342 2.1 42.7 1.0
MN3 A:OEX401 2.8 45.2 1.0
MN1 A:OEX401 2.9 43.9 1.0
C A:ALA344 2.9 53.5 1.0
CD C:GLU354 3.0 50.6 1.0
CG A:ASP342 3.0 44.8 1.0
OE2 C:GLU354 3.2 48.0 1.0
O A:ALA344 3.2 51.7 1.0
OD2 A:ASP342 3.2 44.8 1.0
CA1 A:OEX401 3.4 52.6 1.0
O5 A:OEX401 3.8 48.7 1.0
NE2 A:HIS337 3.9 46.4 1.0
O A:HOH524 4.0 62.4 1.0
O A:HOH622 4.1 44.3 1.0
CA A:ALA344 4.2 52.0 1.0
OE2 A:GLU189 4.3 45.8 1.0
N A:ALA344 4.3 53.7 1.0
CD2 A:HIS337 4.3 44.2 1.0
CG C:GLU354 4.4 48.7 1.0
O4 A:OEX401 4.4 47.6 1.0
CB A:ASP342 4.4 40.3 1.0
OE1 A:GLU333 4.5 44.2 1.0
NH2 C:ARG357 4.6 48.5 1.0
NE2 A:HIS332 4.6 46.4 1.0
CA A:ASP342 4.8 45.3 1.0
CB C:GLU354 4.8 40.6 1.0
C A:ASP342 4.9 44.6 1.0
CD A:GLU189 5.0 50.9 1.0
OD2 A:ASP170 5.0 51.4 1.0
O A:HOH536 5.0 56.3 1.0

Manganese binding site 3 out of 8 in 8gn0

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Manganese binding site 3 out of 8 in the Crystal Structure of Dcbq-Bound Photosystem II Complex


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Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 3 of Crystal Structure of Dcbq-Bound Photosystem II Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn401

b:45.2
occ:1.00
MN3 A:OEX401 0.0 45.2 1.0
O2 A:OEX401 2.0 51.0 1.0
O4 A:OEX401 2.0 47.6 1.0
OE1 A:GLU333 2.0 44.2 1.0
O3 A:OEX401 2.1 44.6 1.0
OE2 C:GLU354 2.1 48.0 1.0
O5 A:OEX401 2.3 48.7 1.0
MN2 A:OEX401 2.8 46.1 1.0
MN4 A:OEX401 3.0 48.5 1.0
CD A:GLU333 3.0 45.7 1.0
CD C:GLU354 3.1 50.6 1.0
MN1 A:OEX401 3.3 43.9 1.0
OE2 A:GLU333 3.3 47.1 1.0
OE1 C:GLU354 3.4 49.1 1.0
CA1 A:OEX401 3.4 52.6 1.0
O1 A:OEX401 3.5 42.0 1.0
NH2 C:ARG357 4.0 48.5 1.0
O C:HOH686 4.1 52.7 1.0
NE2 A:HIS337 4.1 46.4 1.0
OD1 A:ASP170 4.2 47.6 1.0
NE2 A:HIS332 4.3 46.4 1.0
OD2 A:ASP170 4.4 51.4 1.0
CG A:GLU333 4.4 45.0 1.0
O A:HOH525 4.4 47.4 1.0
OXT A:ALA344 4.4 48.2 1.0
CG C:GLU354 4.5 48.7 1.0
CD2 A:HIS332 4.5 40.9 1.0
OD1 A:ASP342 4.6 42.7 1.0
O A:ALA344 4.7 51.7 1.0
O A:HOH532 4.7 48.2 1.0
CB A:GLU333 4.7 36.9 1.0
CG A:ASP170 4.7 48.4 1.0
O A:HOH601 4.8 52.7 1.0
OE2 A:GLU189 4.8 45.8 1.0
OD2 A:ASP342 4.8 44.8 1.0
CE1 A:HIS337 4.8 43.2 1.0

Manganese binding site 4 out of 8 in 8gn0

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Manganese binding site 4 out of 8 in the Crystal Structure of Dcbq-Bound Photosystem II Complex


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Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 4 of Crystal Structure of Dcbq-Bound Photosystem II Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn401

b:48.5
occ:1.00
MN4 A:OEX401 0.0 48.5 1.0
O4 A:OEX401 2.1 47.6 1.0
OD1 A:ASP170 2.1 47.6 1.0
OE2 A:GLU333 2.1 47.1 1.0
O A:HOH601 2.3 52.7 1.0
O A:HOH532 2.3 48.2 1.0
O5 A:OEX401 2.5 48.7 1.0
MN3 A:OEX401 3.0 45.2 1.0
CD A:GLU333 3.0 45.7 1.0
CG A:ASP170 3.2 48.4 1.0
OE1 A:GLU333 3.3 44.2 1.0
OD2 A:ASP170 3.7 51.4 1.0
O A:HOH615 3.8 50.1 1.0
CA1 A:OEX401 3.8 52.6 1.0
O2 A:OEX401 3.9 51.0 1.0
O A:HOH584 4.0 48.7 1.0
O A:HOH525 4.1 47.4 1.0
O A:HOH611 4.1 53.9 1.0
OD1 A:ASP61 4.2 45.2 1.0
O A:SER169 4.4 42.1 1.0
CG A:GLU333 4.4 45.0 1.0
CB A:ASP170 4.4 45.2 1.0
CA A:ASP170 4.6 42.6 1.0
O3 A:OEX401 4.7 44.6 1.0
O A:HOH534 4.7 49.6 1.0
OE2 C:GLU354 4.8 48.0 1.0
NH2 C:ARG357 4.8 48.5 1.0
C A:SER169 4.9 46.5 1.0

Manganese binding site 5 out of 8 in 8gn0

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Manganese binding site 5 out of 8 in the Crystal Structure of Dcbq-Bound Photosystem II Complex


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Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 5 of Crystal Structure of Dcbq-Bound Photosystem II Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
a:Mn2604

b:46.7
occ:1.00
MN1 a:OEX2604 0.0 46.7 1.0
OE2 a:GLU189 1.8 47.4 1.0
O1 a:OEX2604 1.8 41.9 1.0
O3 a:OEX2604 1.9 44.9 1.0
OD2 a:ASP342 2.1 48.8 1.0
NE2 a:HIS332 2.1 44.1 1.0
O5 a:OEX2604 2.6 46.6 1.0
MN2 a:OEX2604 2.8 46.5 1.0
CD a:GLU189 2.8 51.0 1.0
CE1 a:HIS332 3.1 41.9 1.0
CG a:ASP342 3.1 49.1 1.0
CD2 a:HIS332 3.2 42.3 1.0
MN3 a:OEX2604 3.3 45.8 1.0
OE1 a:GLU189 3.3 58.2 1.0
CA1 a:OEX2604 3.4 52.7 1.0
OD1 a:ASP342 3.4 48.6 1.0
O2 a:OEX2604 3.7 43.9 1.0
O a:HOH2701 3.7 66.2 1.0
OE1 a:GLU333 3.9 43.2 1.0
NE2 a:HIS337 4.0 44.8 1.0
CG a:GLU189 4.1 53.2 1.0
ND1 a:HIS332 4.2 44.0 1.0
CG a:HIS332 4.3 45.6 1.0
OXT a:ALA344 4.4 47.5 1.0
OE1 c:GLU354 4.5 51.6 1.0
CB a:ASP342 4.5 43.3 1.0
CG1 a:VAL185 4.5 45.8 1.0
OE2 c:GLU354 4.5 45.5 1.0
O a:ALA344 4.6 53.3 1.0
O a:HOH2785 4.7 50.0 1.0
CE1 a:HIS337 4.7 49.7 1.0
CD a:GLU333 4.8 47.7 1.0
C a:ALA344 4.9 52.6 1.0
MN4 a:OEX2604 4.9 49.4 1.0
CD c:GLU354 4.9 48.9 1.0
O a:HOH2741 5.0 59.3 1.0

Manganese binding site 6 out of 8 in 8gn0

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Manganese binding site 6 out of 8 in the Crystal Structure of Dcbq-Bound Photosystem II Complex


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Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 6 of Crystal Structure of Dcbq-Bound Photosystem II Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
a:Mn2604

b:46.5
occ:1.00
MN2 a:OEX2604 0.0 46.5 1.0
O2 a:OEX2604 1.9 43.9 1.0
OXT a:ALA344 1.9 47.5 1.0
O1 a:OEX2604 2.0 41.9 1.0
OE1 c:GLU354 2.0 51.6 1.0
O3 a:OEX2604 2.1 44.9 1.0
OD1 a:ASP342 2.1 48.6 1.0
MN1 a:OEX2604 2.8 46.7 1.0
MN3 a:OEX2604 2.8 45.8 1.0
C a:ALA344 2.8 52.6 1.0
CD c:GLU354 2.9 48.9 1.0
CG a:ASP342 3.0 49.1 1.0
O a:ALA344 3.0 53.3 1.0
OE2 c:GLU354 3.1 45.5 1.0
OD2 a:ASP342 3.1 48.8 1.0
CA1 a:OEX2604 3.3 52.7 1.0
O5 a:OEX2604 3.8 46.6 1.0
O a:HOH2701 3.9 66.2 1.0
NE2 a:HIS337 4.0 44.8 1.0
O c:HOH745 4.0 44.5 1.0
CA a:ALA344 4.2 52.1 1.0
CG c:GLU354 4.3 50.4 1.0
N a:ALA344 4.3 56.0 1.0
OE2 a:GLU189 4.3 47.4 1.0
CD2 a:HIS337 4.4 44.1 1.0
CB a:ASP342 4.4 43.3 1.0
OE1 a:GLU333 4.4 43.2 1.0
O4 a:OEX2604 4.5 51.5 1.0
NE2 a:HIS332 4.6 44.1 1.0
NH2 c:ARG357 4.7 45.8 1.0
CB c:GLU354 4.8 52.1 1.0
CA a:ASP342 4.8 48.1 1.0
O a:HOH2741 4.9 59.3 1.0
OD2 a:ASP170 4.9 53.1 1.0
CD a:GLU189 4.9 51.0 1.0
OE1 a:GLU189 5.0 58.2 1.0
C a:ASP342 5.0 48.4 1.0

Manganese binding site 7 out of 8 in 8gn0

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Manganese binding site 7 out of 8 in the Crystal Structure of Dcbq-Bound Photosystem II Complex


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Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 7 of Crystal Structure of Dcbq-Bound Photosystem II Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
a:Mn2604

b:45.8
occ:1.00
MN3 a:OEX2604 0.0 45.8 1.0
O2 a:OEX2604 1.9 43.9 1.0
O3 a:OEX2604 2.0 44.9 1.0
OE1 a:GLU333 2.0 43.2 1.0
O4 a:OEX2604 2.1 51.5 1.0
OE2 c:GLU354 2.1 45.5 1.0
O5 a:OEX2604 2.4 46.6 1.0
MN2 a:OEX2604 2.8 46.5 1.0
MN4 a:OEX2604 2.9 49.4 1.0
CD a:GLU333 3.0 47.7 1.0
CD c:GLU354 3.1 48.9 1.0
OE2 a:GLU333 3.2 47.5 1.0
MN1 a:OEX2604 3.3 46.7 1.0
CA1 a:OEX2604 3.3 52.7 1.0
OE1 c:GLU354 3.4 51.6 1.0
O1 a:OEX2604 3.6 41.9 1.0
NH2 c:ARG357 4.0 45.8 1.0
O c:HOH704 4.1 62.9 1.0
OD1 a:ASP170 4.1 51.1 1.0
NE2 a:HIS332 4.2 44.1 1.0
OD2 a:ASP170 4.2 53.1 1.0
O a:HOH2705 4.3 43.1 1.0
NE2 a:HIS337 4.3 44.8 1.0
OXT a:ALA344 4.4 47.5 1.0
CG a:GLU333 4.4 43.7 1.0
CG c:GLU354 4.5 50.4 1.0
CD2 a:HIS332 4.5 42.3 1.0
O a:ALA344 4.5 53.3 1.0
O a:HOH2751 4.6 43.4 1.0
CG a:ASP170 4.6 50.6 1.0
OD1 a:ASP342 4.7 48.6 1.0
O a:HOH2790 4.7 51.8 1.0
OD2 a:ASP342 4.7 48.8 1.0
CB a:GLU333 4.8 39.1 1.0
O a:HOH2785 4.8 50.0 1.0
OE2 a:GLU189 4.8 47.4 1.0
C a:ALA344 4.9 52.6 1.0
CE1 a:HIS337 5.0 49.7 1.0

Manganese binding site 8 out of 8 in 8gn0

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Manganese binding site 8 out of 8 in the Crystal Structure of Dcbq-Bound Photosystem II Complex


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Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 8 of Crystal Structure of Dcbq-Bound Photosystem II Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
a:Mn2604

b:49.4
occ:1.00
MN4 a:OEX2604 0.0 49.4 1.0
O4 a:OEX2604 2.0 51.5 1.0
OD1 a:ASP170 2.1 51.1 1.0
OE2 a:GLU333 2.1 47.5 1.0
O a:HOH2751 2.2 43.4 1.0
O a:HOH2790 2.2 51.8 1.0
O5 a:OEX2604 2.5 46.6 1.0
MN3 a:OEX2604 2.9 45.8 1.0
CD a:GLU333 3.1 47.7 1.0
CG a:ASP170 3.2 50.6 1.0
OE1 a:GLU333 3.3 43.2 1.0
OD2 a:ASP170 3.6 53.1 1.0
O a:HOH2785 3.7 50.0 1.0
CA1 a:OEX2604 3.8 52.7 1.0
O2 a:OEX2604 3.9 43.9 1.0
O a:HOH2705 4.0 43.1 1.0
O a:HOH2731 4.1 49.1 1.0
OD1 a:ASP61 4.2 47.0 1.0
O a:HOH2803 4.3 62.3 1.0
O a:SER169 4.4 42.2 1.0
CB a:ASP170 4.4 45.7 1.0
CG a:GLU333 4.5 43.7 1.0
O3 a:OEX2604 4.5 44.9 1.0
CA a:ASP170 4.6 46.0 1.0
NH2 c:ARG357 4.7 45.8 1.0
OE2 c:GLU354 4.7 45.5 1.0
O d:HOH535 4.8 49.7 1.0
MN1 a:OEX2604 4.9 46.7 1.0
C a:SER169 5.0 42.4 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: Fri Jul 28 02:20:57 2023

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