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Manganese in PDB 5b5e: Crystal Structure Analysis of Photosystem II Complex

Enzymatic activity of Crystal Structure Analysis of Photosystem II Complex

All present enzymatic activity of Crystal Structure Analysis of Photosystem II Complex:
1.10.3.9;

Protein crystallography data

The structure of Crystal Structure Analysis of Photosystem II Complex, PDB code: 5b5e was solved by A.Tanaka, Y.Fukushima, N.Kamiya, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 48.98 / 1.87
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 121.404, 228.224, 286.429, 90.00, 90.00, 90.00
R / Rfree (%) 17.1 / 21.2

Other elements in 5b5e:

The structure of Crystal Structure Analysis of Photosystem II Complex also contains other interesting chemical elements:

Magnesium (Mg) 72 atoms
Iron (Fe) 6 atoms
Calcium (Ca) 7 atoms
Chlorine (Cl) 4 atoms

Manganese Binding Sites:

The binding sites of Manganese atom in the Crystal Structure Analysis of Photosystem II Complex (pdb code 5b5e). 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 Analysis of Photosystem II Complex, PDB code: 5b5e:
Jump to Manganese binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Manganese binding site 1 out of 8 in 5b5e

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Manganese binding site 1 out of 8 in the Crystal Structure Analysis of Photosystem II Complex


Mono view


Stereo pair view

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

b:19.1
occ:1.00
MN1 A:OEX401 0.0 19.1 1.0
O3 A:OEX401 1.8 21.7 1.0
O1 A:OEX401 1.9 20.3 1.0
OE2 A:GLU189 1.9 19.0 1.0
NE2 A:HIS332 2.0 16.8 1.0
OD2 A:ASP342 2.2 20.2 1.0
MN2 A:OEX401 2.7 21.1 1.0
O5 A:OEX401 2.7 21.8 1.0
CD A:GLU189 2.9 19.1 1.0
CE1 A:HIS332 3.0 19.1 1.0
CD2 A:HIS332 3.0 16.8 1.0
CG A:ASP342 3.1 19.9 1.0
MN3 A:OEX401 3.2 21.3 1.0
OD1 A:ASP342 3.3 19.9 1.0
OE1 A:GLU189 3.4 23.9 1.0
CA1 A:OEX401 3.5 23.4 1.0
O2 A:OEX401 3.6 23.4 1.0
NE2 A:HIS337 3.9 20.3 1.0
OE1 A:GLU333 3.9 18.2 1.0
O A:HOH575 4.0 26.7 1.0
CG A:GLU189 4.1 20.5 1.0
ND1 A:HIS332 4.1 15.0 1.0
O A:HOH649 4.1 27.6 1.0
CG A:HIS332 4.2 17.2 1.0
OE1 C:GLU354 4.4 20.8 1.0
OXT A:ALA344 4.4 21.7 1.0
CB A:ASP342 4.5 19.6 1.0
CG1 A:VAL185 4.5 21.5 1.0
CE1 A:HIS337 4.5 17.9 1.0
OE2 C:GLU354 4.5 18.8 1.0
CD A:GLU333 4.7 16.9 1.0
O A:ALA344 4.8 22.9 1.0
O A:HOH619 4.8 24.5 1.0
CD C:GLU354 4.9 20.7 1.0
O4 A:OEX401 4.9 24.7 1.0
MN4 A:OEX401 4.9 22.3 1.0
CD2 A:HIS337 4.9 17.2 1.0
C A:ALA344 4.9 20.6 1.0

Manganese binding site 2 out of 8 in 5b5e

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Manganese binding site 2 out of 8 in the Crystal Structure Analysis of 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 2 of Crystal Structure Analysis of Photosystem II Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn401

b:21.1
occ:1.00
MN2 A:OEX401 0.0 21.1 1.0
O1 A:OEX401 1.8 20.3 1.0
O2 A:OEX401 1.9 23.4 1.0
OXT A:ALA344 2.0 21.7 1.0
OE1 C:GLU354 2.0 20.8 1.0
O3 A:OEX401 2.1 21.7 1.0
OD1 A:ASP342 2.2 19.9 1.0
MN1 A:OEX401 2.7 19.1 1.0
MN3 A:OEX401 2.8 21.3 1.0
CD C:GLU354 2.9 20.7 1.0
C A:ALA344 2.9 20.6 1.0
CG A:ASP342 3.0 19.9 1.0
OE2 C:GLU354 3.1 18.8 1.0
OD2 A:ASP342 3.1 20.2 1.0
O A:ALA344 3.3 22.9 1.0
CA1 A:OEX401 3.4 23.4 1.0
O5 A:OEX401 3.7 21.8 1.0
NE2 A:HIS337 3.8 20.3 1.0
O C:HOH803 4.0 19.3 1.0
O A:HOH575 4.0 26.7 1.0
CA A:ALA344 4.2 21.3 1.0
OE2 A:GLU189 4.3 19.0 1.0
CD2 A:HIS337 4.3 17.2 1.0
N A:ALA344 4.3 22.8 1.0
O4 A:OEX401 4.3 24.7 1.0
OE1 A:GLU333 4.3 18.2 1.0
CG C:GLU354 4.3 23.6 1.0
NE2 A:HIS332 4.4 16.8 1.0
CB A:ASP342 4.5 19.6 1.0
NH2 C:ARG357 4.6 17.2 1.0
NH1 C:ARG357 4.7 18.6 1.0
CB C:GLU354 4.8 21.2 1.0
CA A:ASP342 4.9 19.5 1.0
OE1 A:GLU189 4.9 23.9 1.0
OD2 A:ASP170 4.9 23.1 1.0
CD A:GLU189 4.9 19.1 1.0
CZ C:ARG357 5.0 22.4 1.0
O A:HOH549 5.0 20.9 1.0

Manganese binding site 3 out of 8 in 5b5e

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Manganese binding site 3 out of 8 in the Crystal Structure Analysis of 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 Analysis of Photosystem II Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn401

b:21.3
occ:1.00
MN3 A:OEX401 0.0 21.3 1.0
O2 A:OEX401 1.8 23.4 1.0
O4 A:OEX401 1.9 24.7 1.0
OE1 A:GLU333 2.0 18.2 1.0
O5 A:OEX401 2.1 21.8 1.0
OE2 C:GLU354 2.1 18.8 1.0
O3 A:OEX401 2.3 21.7 1.0
MN2 A:OEX401 2.8 21.1 1.0
MN4 A:OEX401 2.8 22.3 1.0
CD A:GLU333 2.9 16.9 1.0
CD C:GLU354 3.1 20.7 1.0
OE2 A:GLU333 3.2 16.4 1.0
MN1 A:OEX401 3.2 19.1 1.0
OE1 C:GLU354 3.3 20.8 1.0
O1 A:OEX401 3.4 20.3 1.0
CA1 A:OEX401 3.4 23.4 1.0
NH2 C:ARG357 3.9 17.2 1.0
OD1 A:ASP170 4.1 20.5 1.0
O C:HOH714 4.1 24.7 1.0
NE2 A:HIS337 4.1 20.3 1.0
NE2 A:HIS332 4.1 16.8 1.0
OD2 A:ASP170 4.2 23.1 1.0
O A:HOH534 4.3 19.6 1.0
OXT A:ALA344 4.3 21.7 1.0
CG A:GLU333 4.3 16.6 1.0
CD2 A:HIS332 4.4 16.8 1.0
O A:HOH578 4.4 25.8 1.0
CG C:GLU354 4.5 23.6 1.0
O A:HOH550 4.5 16.9 1.0
CG A:ASP170 4.6 22.1 1.0
OD1 A:ASP342 4.6 19.9 1.0
O A:ALA344 4.7 22.9 1.0
CB A:GLU333 4.7 17.0 1.0
OD2 A:ASP342 4.7 20.2 1.0
CE1 A:HIS337 4.8 17.9 1.0
OE2 A:GLU189 4.8 19.0 1.0
O A:HOH619 4.8 24.5 1.0
CZ C:ARG357 4.9 22.4 1.0
C A:ALA344 5.0 20.6 1.0

Manganese binding site 4 out of 8 in 5b5e

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Manganese binding site 4 out of 8 in the Crystal Structure Analysis of Photosystem II Complex


Mono view


Stereo pair view

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

b:22.3
occ:1.00
MN4 A:OEX401 0.0 22.3 1.0
O4 A:OEX401 1.9 24.7 1.0
OD1 A:ASP170 2.0 20.5 1.0
O A:HOH578 2.0 25.8 1.0
OE2 A:GLU333 2.1 16.4 1.0
O A:HOH550 2.1 16.9 1.0
O5 A:OEX401 2.2 21.8 1.0
MN3 A:OEX401 2.8 21.3 1.0
CD A:GLU333 3.0 16.9 1.0
CG A:ASP170 3.1 22.1 1.0
OE1 A:GLU333 3.3 18.2 1.0
OD2 A:ASP170 3.6 23.1 1.0
O A:HOH619 3.7 24.5 1.0
O2 A:OEX401 3.7 23.4 1.0
CA1 A:OEX401 3.7 23.4 1.0
O A:HOH534 3.9 19.6 1.0
O A:HOH542 4.0 20.9 1.0
O A:HOH655 4.1 23.3 1.0
OD1 A:ASP61 4.1 16.0 1.0
CG A:GLU333 4.3 16.6 1.0
O A:SER169 4.4 19.2 1.0
CB A:ASP170 4.4 20.5 1.0
NH2 C:ARG357 4.5 17.2 1.0
OE2 C:GLU354 4.6 18.8 1.0
CA A:ASP170 4.6 20.7 1.0
O3 A:OEX401 4.7 21.7 1.0
O D:HOH515 4.8 17.1 1.0
MN1 A:OEX401 4.9 19.1 1.0
C A:SER169 4.9 19.9 1.0
CG A:ASP61 5.0 17.4 1.0
N A:ASP170 5.0 19.9 1.0

Manganese binding site 5 out of 8 in 5b5e

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Manganese binding site 5 out of 8 in the Crystal Structure Analysis of Photosystem II Complex


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 5 of Crystal Structure Analysis of Photosystem II Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
a:Mn402

b:21.5
occ:1.00
MN1 a:OEX402 0.0 21.5 1.0
O1 a:OEX402 1.6 21.4 1.0
OE2 a:GLU189 1.8 20.0 1.0
O3 a:OEX402 1.9 24.3 1.0
NE2 a:HIS332 2.0 21.6 1.0
OD2 a:ASP342 2.2 18.9 1.0
MN2 a:OEX402 2.6 23.0 1.0
O5 a:OEX402 2.8 24.5 1.0
CD a:GLU189 2.8 22.8 1.0
CD2 a:HIS332 3.0 20.1 1.0
CE1 a:HIS332 3.0 19.5 1.0
CG a:ASP342 3.1 18.5 1.0
MN3 a:OEX402 3.2 22.0 1.0
OD1 a:ASP342 3.3 17.9 1.0
OE1 a:GLU189 3.3 24.7 1.0
O2 a:OEX402 3.5 23.8 1.0
CA1 a:OEX402 3.5 24.4 1.0
NE2 a:HIS337 3.9 18.6 1.0
OE1 a:GLU333 3.9 21.9 1.0
O a:HOH569 4.1 27.4 1.0
CG a:GLU189 4.1 22.3 1.0
ND1 a:HIS332 4.1 17.7 1.0
CG a:HIS332 4.1 18.8 1.0
OXT a:ALA344 4.3 27.5 1.0
OE1 c:GLU354 4.3 24.8 1.0
O a:HOH651 4.3 27.8 1.0
CB a:ASP342 4.4 20.1 1.0
CG1 a:VAL185 4.5 17.4 1.0
OE2 c:GLU354 4.6 22.0 1.0
CE1 a:HIS337 4.6 19.6 1.0
CD a:GLU333 4.7 20.2 1.0
O a:ALA344 4.8 24.8 1.0
CD c:GLU354 4.8 25.2 1.0
C a:ALA344 4.9 25.1 1.0
MN4 a:OEX402 4.9 23.4 1.0
O a:HOH632 4.9 19.0 1.0
CD2 a:HIS337 4.9 19.4 1.0

Manganese binding site 6 out of 8 in 5b5e

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Manganese binding site 6 out of 8 in the Crystal Structure Analysis of Photosystem II Complex


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 6 of Crystal Structure Analysis of Photosystem II Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
a:Mn402

b:23.0
occ:1.00
MN2 a:OEX402 0.0 23.0 1.0
O2 a:OEX402 1.8 23.8 1.0
O3 a:OEX402 1.9 24.3 1.0
OXT a:ALA344 1.9 27.5 1.0
O1 a:OEX402 2.0 21.4 1.0
OE1 c:GLU354 2.1 24.8 1.0
OD1 a:ASP342 2.1 17.9 1.0
MN1 a:OEX402 2.6 21.5 1.0
MN3 a:OEX402 2.8 22.0 1.0
C a:ALA344 2.9 25.1 1.0
CD c:GLU354 3.0 25.2 1.0
CG a:ASP342 3.0 18.5 1.0
OD2 a:ASP342 3.2 18.9 1.0
O a:ALA344 3.2 24.8 1.0
OE2 c:GLU354 3.2 22.0 1.0
CA1 a:OEX402 3.3 24.4 1.0
O5 a:OEX402 3.7 24.5 1.0
NE2 a:HIS337 3.9 18.6 1.0
O c:HOH1185 3.9 23.4 1.0
O a:HOH569 4.1 27.4 1.0
OE2 a:GLU189 4.2 20.0 1.0
CA a:ALA344 4.2 23.6 1.0
NE2 a:HIS332 4.3 21.6 1.0
OE1 a:GLU333 4.3 21.9 1.0
O4 a:OEX402 4.3 23.2 1.0
CB a:ASP342 4.4 20.1 1.0
CD2 a:HIS337 4.4 19.4 1.0
CG c:GLU354 4.4 27.2 1.0
N a:ALA344 4.4 22.8 1.0
OE1 a:GLU189 4.7 24.7 1.0
NH2 c:ARG357 4.7 19.9 1.0
CD a:GLU189 4.7 22.8 1.0
OD2 a:ASP170 4.8 23.3 1.0
CA a:ASP342 4.8 21.2 1.0
CB c:GLU354 4.9 24.6 1.0
NH1 c:ARG357 4.9 22.9 1.0

Manganese binding site 7 out of 8 in 5b5e

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Manganese binding site 7 out of 8 in the Crystal Structure Analysis of 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 Analysis of Photosystem II Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
a:Mn402

b:22.0
occ:1.00
MN3 a:OEX402 0.0 22.0 1.0
O2 a:OEX402 1.8 23.8 1.0
O4 a:OEX402 2.0 23.2 1.0
O3 a:OEX402 2.0 24.3 1.0
OE1 a:GLU333 2.0 21.9 1.0
O5 a:OEX402 2.1 24.5 1.0
OE2 c:GLU354 2.2 22.0 1.0
MN4 a:OEX402 2.8 23.4 1.0
MN2 a:OEX402 2.8 23.0 1.0
CD a:GLU333 2.9 20.2 1.0
CD c:GLU354 3.1 25.2 1.0
OE2 a:GLU333 3.2 19.8 1.0
MN1 a:OEX402 3.2 21.5 1.0
OE1 c:GLU354 3.3 24.8 1.0
CA1 a:OEX402 3.4 24.4 1.0
O1 a:OEX402 3.6 21.4 1.0
NH2 c:ARG357 3.9 19.9 1.0
O c:HOH1100 4.1 25.7 1.0
OD1 a:ASP170 4.1 20.8 1.0
NE2 a:HIS332 4.1 21.6 1.0
OD2 a:ASP170 4.1 23.3 1.0
O a:HOH506 4.2 20.1 1.0
NE2 a:HIS337 4.2 18.6 1.0
OXT a:ALA344 4.3 27.5 1.0
CG a:GLU333 4.3 18.8 1.0
CD2 a:HIS332 4.3 20.1 1.0
O a:HOH562 4.4 18.8 1.0
O a:HOH595 4.5 21.3 1.0
CG c:GLU354 4.5 27.2 1.0
CG a:ASP170 4.6 22.1 1.0
OD1 a:ASP342 4.6 17.9 1.0
O a:ALA344 4.7 24.8 1.0
CB a:GLU333 4.7 18.2 1.0
OE2 a:GLU189 4.8 20.0 1.0
OD2 a:ASP342 4.8 18.9 1.0
O a:HOH632 4.9 19.0 1.0
CE1 a:HIS337 4.9 19.6 1.0
CZ c:ARG357 4.9 20.4 1.0
C a:ALA344 5.0 25.1 1.0

Manganese binding site 8 out of 8 in 5b5e

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Manganese binding site 8 out of 8 in the Crystal Structure Analysis of Photosystem II Complex


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 8 of Crystal Structure Analysis of Photosystem II Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
a:Mn402

b:23.4
occ:1.00
MN4 a:OEX402 0.0 23.4 1.0
OE2 a:GLU333 2.1 19.8 1.0
O4 a:OEX402 2.1 23.2 1.0
OD1 a:ASP170 2.1 20.8 1.0
O a:HOH562 2.1 18.8 1.0
O a:HOH595 2.2 21.3 1.0
O5 a:OEX402 2.2 24.5 1.0
MN3 a:OEX402 2.8 22.0 1.0
CD a:GLU333 2.9 20.2 1.0
CG a:ASP170 3.1 22.1 1.0
OE1 a:GLU333 3.2 21.9 1.0
OD2 a:ASP170 3.5 23.3 1.0
O a:HOH632 3.7 19.0 1.0
O2 a:OEX402 3.8 23.8 1.0
CA1 a:OEX402 3.8 24.4 1.0
O a:HOH506 3.8 20.1 1.0
O a:HOH579 4.1 22.2 1.0
OD1 a:ASP61 4.1 20.1 1.0
O a:HOH652 4.2 24.9 1.0
CG a:GLU333 4.3 18.8 1.0
O a:SER169 4.4 21.5 1.0
CB a:ASP170 4.4 20.4 1.0
O3 a:OEX402 4.4 24.3 1.0
NH2 c:ARG357 4.5 19.9 1.0
OE2 c:GLU354 4.6 22.0 1.0
CA a:ASP170 4.6 17.9 1.0
O d:HOH532 4.8 18.6 1.0
MN1 a:OEX402 4.9 21.5 1.0
C a:SER169 4.9 19.2 1.0
CG a:ASP61 5.0 18.3 1.0

Reference:

A.Tanaka, Y.Fukushima, N.Kamiya. Two Different Structures of the Oxygen-Evolving Complex in the Same Polypeptide Frameworks of Photosystem II J. Am. Chem. Soc. V. 139 1718 2017.
ISSN: ESSN 1520-5126
PubMed: 28102667
DOI: 10.1021/JACS.6B09666
Page generated: Sat Oct 5 23:37:53 2024

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