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Manganese in PDB 5v2c: Re-Refinement of Crystal Structure of Photosystem II Complex

Enzymatic activity of Re-Refinement of Crystal Structure of Photosystem II Complex

All present enzymatic activity of Re-Refinement of Crystal Structure of Photosystem II Complex:
1.10.3.9;

Protein crystallography data

The structure of Re-Refinement of Crystal Structure of Photosystem II Complex, PDB code: 5v2c was solved by J.Wang, J.M.Wiwczar, G.W.Brudvig, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 178.62 / 1.90
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 122.190, 228.510, 286.400, 90.00, 90.00, 90.00
R / Rfree (%) 9.2 / 16.3

Other elements in 5v2c:

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

Magnesium (Mg) 74 atoms
Iron (Fe) 6 atoms
Calcium (Ca) 8 atoms
Chlorine (Cl) 6 atoms

Manganese Binding Sites:

The binding sites of Manganese atom in the Re-Refinement of Crystal Structure of Photosystem II Complex (pdb code 5v2c). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 8 binding sites of Manganese where determined in the Re-Refinement of Crystal Structure of Photosystem II Complex, PDB code: 5v2c:
Jump to Manganese binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Manganese binding site 1 out of 8 in 5v2c

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Manganese binding site 1 out of 8 in the Re-Refinement of Crystal Structure 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 1 of Re-Refinement of Crystal Structure of Photosystem II Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn601

b:20.6
occ:1.00
MN1 A:OEX601 0.0 20.6 1.0
OE2 A:GLU189 1.9 21.5 1.0
O1 A:OEX601 1.9 22.0 1.0
O3 A:OEX601 1.9 20.2 1.0
NE2 A:HIS332 2.2 20.1 1.0
OD2 A:ASP342 2.2 22.4 1.0
O5 A:OEX601 2.7 21.7 1.0
MN2 A:OEX601 2.8 20.7 1.0
CD A:GLU189 2.9 27.7 1.0
CE1 A:HIS332 3.1 24.9 1.0
CG A:ASP342 3.1 21.3 1.0
CD2 A:HIS332 3.1 17.9 1.0
MN3 A:OEX601 3.3 21.2 1.0
OD1 A:ASP342 3.3 21.7 1.0
OE1 A:GLU189 3.4 28.9 1.0
CA1 A:OEX601 3.5 24.0 1.0
O2 A:OEX601 3.6 22.5 1.0
NE2 A:HIS337 4.0 21.2 1.0
OE1 A:GLU333 4.0 20.9 1.0
O A:HOH798 4.0 31.6 1.0
O A:HOH864 4.1 38.8 1.0
CG A:GLU189 4.1 27.8 1.0
ND1 A:HIS332 4.2 20.7 1.0
CG A:HIS332 4.3 17.4 1.0
OE1 C:GLU354 4.4 20.0 1.0
CG1 A:VAL185 4.5 23.6 1.0
OXT A:ALA344 4.5 21.1 1.0
CB A:ASP342 4.5 20.6 1.0
O A:HOH840 4.6 27.4 1.0
CE1 A:HIS337 4.7 18.9 1.0
OE2 C:GLU354 4.7 20.5 1.0
CD A:GLU333 4.7 20.4 1.0
O A:HOH777 4.8 27.7 1.0
O A:ALA344 4.9 24.7 1.0
O4 A:OEX601 4.9 26.5 1.0
C A:ALA344 4.9 26.3 1.0
MN4 A:OEX601 5.0 24.3 1.0
CD C:GLU354 5.0 22.4 1.0

Manganese binding site 2 out of 8 in 5v2c

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Manganese binding site 2 out of 8 in the Re-Refinement of Crystal Structure 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 Re-Refinement of Crystal Structure of Photosystem II Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn601

b:20.7
occ:1.00
MN2 A:OEX601 0.0 20.7 1.0
O3 A:OEX601 1.9 20.2 1.0
OXT A:ALA344 1.9 21.1 1.0
O2 A:OEX601 2.0 22.5 1.0
O1 A:OEX601 2.0 22.0 1.0
OE1 C:GLU354 2.1 20.0 1.0
OD1 A:ASP342 2.1 21.7 1.0
MN1 A:OEX601 2.8 20.6 1.0
C A:ALA344 2.9 26.3 1.0
MN3 A:OEX601 2.9 21.2 1.0
CD C:GLU354 3.0 22.4 1.0
CG A:ASP342 3.0 21.3 1.0
O A:ALA344 3.3 24.7 1.0
OD2 A:ASP342 3.3 22.4 1.0
OE2 C:GLU354 3.3 20.5 1.0
CA1 A:OEX601 3.3 24.0 1.0
O5 A:OEX601 3.8 21.7 1.0
NE2 A:HIS337 3.9 21.2 1.0
O C:HOH838 3.9 26.0 1.0
CA A:ALA344 4.2 26.6 1.0
O A:HOH798 4.2 31.6 1.0
N A:ALA344 4.3 25.4 1.0
CD2 A:HIS337 4.4 21.5 1.0
O4 A:OEX601 4.4 26.5 1.0
CB A:ASP342 4.4 20.6 1.0
OE2 A:GLU189 4.4 21.5 1.0
CG C:GLU354 4.4 22.9 1.0
OE1 A:GLU333 4.5 20.9 1.0
NE2 A:HIS332 4.6 20.1 1.0
NH2 C:ARG357 4.6 24.4 1.0
CA A:ASP342 4.8 20.3 1.0
CB C:GLU354 4.8 26.4 1.0
O A:HOH777 4.8 27.7 1.0
NH1 C:ARG357 4.9 27.5 1.0
C A:ASP342 4.9 21.6 1.0

Manganese binding site 3 out of 8 in 5v2c

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Manganese binding site 3 out of 8 in the Re-Refinement of Crystal Structure 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 Re-Refinement of Crystal Structure of Photosystem II Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn601

b:21.2
occ:1.00
MN3 A:OEX601 0.0 21.2 1.0
O4 A:OEX601 1.9 26.5 1.0
O2 A:OEX601 1.9 22.5 1.0
OE1 A:GLU333 2.0 20.9 1.0
O3 A:OEX601 2.0 20.2 1.0
OE2 C:GLU354 2.2 20.5 1.0
O5 A:OEX601 2.3 21.7 1.0
MN2 A:OEX601 2.9 20.7 1.0
CD A:GLU333 2.9 20.4 1.0
MN4 A:OEX601 2.9 24.3 1.0
CD C:GLU354 3.1 22.4 1.0
OE2 A:GLU333 3.3 20.7 1.0
MN1 A:OEX601 3.3 20.6 1.0
OE1 C:GLU354 3.4 20.0 1.0
CA1 A:OEX601 3.4 24.0 1.0
O1 A:OEX601 3.5 22.0 1.0
NH2 C:ARG357 4.0 24.4 1.0
O C:HOH735 4.1 24.9 1.0
OD2 A:ASP170 4.1 23.3 1.0
NE2 A:HIS337 4.2 21.2 1.0
NE2 A:HIS332 4.2 20.1 1.0
CG A:GLU333 4.3 20.1 1.0
O A:HOH744 4.3 22.7 1.0
OD1 A:ASP170 4.4 25.6 1.0
OXT A:ALA344 4.5 21.1 1.0
CD2 A:HIS332 4.5 17.9 1.0
CG C:GLU354 4.5 22.9 1.0
O A:HOH803 4.6 26.1 1.0
O A:HOH792 4.6 22.0 1.0
OD1 A:ASP342 4.6 21.7 1.0
CG A:ASP170 4.7 22.0 1.0
CB A:GLU333 4.7 20.0 1.0
CE1 A:HIS337 4.8 18.9 1.0
O A:ALA344 4.8 24.7 1.0
OD2 A:ASP342 4.9 22.4 1.0
O A:HOH840 4.9 27.4 1.0
OE2 A:GLU189 4.9 21.5 1.0

Manganese binding site 4 out of 8 in 5v2c

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Manganese binding site 4 out of 8 in the Re-Refinement of Crystal Structure 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 4 of Re-Refinement of Crystal Structure of Photosystem II Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn601

b:24.3
occ:1.00
MN4 A:OEX601 0.0 24.3 1.0
O4 A:OEX601 2.0 26.5 1.0
OD2 A:ASP170 2.0 23.3 1.0
O A:HOH803 2.0 26.1 1.0
OE2 A:GLU333 2.1 20.7 1.0
O A:HOH792 2.2 22.0 1.0
O5 A:OEX601 2.4 21.7 1.0
MN3 A:OEX601 2.9 21.2 1.0
CD A:GLU333 3.0 20.4 1.0
CG A:ASP170 3.2 22.0 1.0
OE1 A:GLU333 3.3 20.9 1.0
O A:HOH840 3.8 27.4 1.0
OD1 A:ASP170 3.8 25.6 1.0
CA1 A:OEX601 3.8 24.0 1.0
O2 A:OEX601 3.9 22.5 1.0
O A:HOH789 3.9 33.0 1.0
O A:HOH744 4.0 22.7 1.0
OD1 A:ASP61 4.1 24.5 1.0
O A:HOH835 4.2 28.3 1.0
CG A:GLU333 4.4 20.1 1.0
O A:SER169 4.4 19.5 1.0
CB A:ASP170 4.4 19.7 1.0
CA A:ASP170 4.5 22.5 1.0
O3 A:OEX601 4.7 20.2 1.0
NH2 C:ARG357 4.8 24.4 1.0
O A:HOH732 4.8 22.4 1.0
OE2 C:GLU354 4.8 20.5 1.0
C A:SER169 4.9 20.0 1.0
MN1 A:OEX601 5.0 20.6 1.0
N A:ASP170 5.0 20.0 1.0

Manganese binding site 5 out of 8 in 5v2c

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Manganese binding site 5 out of 8 in the Re-Refinement of Crystal Structure 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 5 of Re-Refinement of Crystal Structure of Photosystem II Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
a:Mn402

b:24.4
occ:1.00
MN1 a:OEX402 0.0 24.4 1.0
O1 a:OEX402 1.9 23.2 1.0
OE2 a:GLU189 1.9 24.1 1.0
O3 a:OEX402 1.9 24.7 1.0
NE2 a:HIS332 2.1 25.4 1.0
OD2 a:ASP342 2.2 25.9 1.0
O5 a:OEX402 2.6 25.8 1.0
MN2 a:OEX402 2.8 23.9 1.0
CD a:GLU189 2.9 30.8 1.0
CE1 a:HIS332 3.1 24.3 1.0
CG a:ASP342 3.1 21.7 1.0
CD2 a:HIS332 3.2 23.5 1.0
MN3 a:OEX402 3.2 23.7 1.0
OD1 a:ASP342 3.3 25.1 1.0
OE1 a:GLU189 3.4 32.1 1.0
CA1 a:OEX402 3.5 26.4 1.0
O2 a:OEX402 3.6 26.3 1.0
NE2 a:HIS337 3.9 24.0 1.0
OE1 a:GLU333 4.0 27.1 1.0
O a:HOH587 4.0 34.3 1.0
CG a:GLU189 4.1 28.9 1.0
O a:HOH662 4.2 40.7 1.0
ND1 a:HIS332 4.2 24.4 1.0
CG a:HIS332 4.3 24.1 1.0
OXT a:ALA344 4.4 27.5 1.0
OE1 c:GLU354 4.5 23.0 1.0
CB a:ASP342 4.5 24.1 1.0
CG1 a:VAL185 4.5 22.8 1.0
O a:HOH649 4.6 29.6 1.0
OE2 c:GLU354 4.6 23.9 1.0
CE1 a:HIS337 4.6 24.2 1.0
CD a:GLU333 4.7 25.9 1.0
O a:ALA344 4.8 30.4 1.0
O a:HOH586 4.8 28.8 1.0
C a:ALA344 4.9 32.0 1.0
MN4 a:OEX402 4.9 27.6 1.0
CD c:GLU354 4.9 26.6 1.0
O4 a:OEX402 5.0 26.2 1.0
CD2 a:HIS337 5.0 20.7 1.0
OE2 a:GLU333 5.0 24.1 1.0

Manganese binding site 6 out of 8 in 5v2c

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Manganese binding site 6 out of 8 in the Re-Refinement of Crystal Structure 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 Re-Refinement of Crystal Structure of Photosystem II Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
a:Mn402

b:23.9
occ:1.00
MN2 a:OEX402 0.0 23.9 1.0
OXT a:ALA344 1.9 27.5 1.0
O1 a:OEX402 1.9 23.2 1.0
O3 a:OEX402 1.9 24.7 1.0
O2 a:OEX402 2.0 26.3 1.0
OD1 a:ASP342 2.1 25.1 1.0
OE1 c:GLU354 2.1 23.0 1.0
MN1 a:OEX402 2.8 24.4 1.0
C a:ALA344 2.8 32.0 1.0
MN3 a:OEX402 2.9 23.7 1.0
CD c:GLU354 3.0 26.6 1.0
CG a:ASP342 3.0 21.7 1.0
OE2 c:GLU354 3.2 23.9 1.0
O a:ALA344 3.2 30.4 1.0
OD2 a:ASP342 3.2 25.9 1.0
CA1 a:OEX402 3.3 26.4 1.0
O5 a:OEX402 3.7 25.8 1.0
NE2 a:HIS337 3.9 24.0 1.0
O c:HOH824 4.0 29.8 1.0
CA a:ALA344 4.2 30.3 1.0
O a:HOH587 4.2 34.3 1.0
N a:ALA344 4.3 31.6 1.0
CD2 a:HIS337 4.3 20.7 1.0
OE2 a:GLU189 4.4 24.1 1.0
CG c:GLU354 4.4 27.3 1.0
CB a:ASP342 4.4 24.1 1.0
O4 a:OEX402 4.5 26.2 1.0
OE1 a:GLU333 4.5 27.1 1.0
NE2 a:HIS332 4.6 25.4 1.0
NH2 c:ARG357 4.6 35.3 1.0
CA a:ASP342 4.8 24.0 1.0
CB c:GLU354 4.8 26.0 1.0
O a:HOH586 4.9 28.8 1.0
C a:ASP342 4.9 24.5 1.0
CD a:GLU189 5.0 30.8 1.0
NH1 c:ARG357 5.0 35.3 1.0

Manganese binding site 7 out of 8 in 5v2c

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

b:23.7
occ:1.00
MN3 a:OEX402 0.0 23.7 1.0
O2 a:OEX402 1.8 26.3 1.0
O3 a:OEX402 1.9 24.7 1.0
OE1 a:GLU333 2.0 27.1 1.0
O4 a:OEX402 2.0 26.2 1.0
OE2 c:GLU354 2.1 23.9 1.0
O5 a:OEX402 2.2 25.8 1.0
MN2 a:OEX402 2.9 23.9 1.0
CD a:GLU333 2.9 25.9 1.0
MN4 a:OEX402 3.0 27.6 1.0
CD c:GLU354 3.1 26.6 1.0
OE2 a:GLU333 3.2 24.1 1.0
MN1 a:OEX402 3.2 24.4 1.0
OE1 c:GLU354 3.4 23.0 1.0
CA1 a:OEX402 3.5 26.4 1.0
O1 a:OEX402 3.5 23.2 1.0
NH2 c:ARG357 4.0 35.3 1.0
O c:HOH744 4.0 29.9 1.0
OD2 a:ASP170 4.1 28.5 1.0
NE2 a:HIS337 4.2 24.0 1.0
NE2 a:HIS332 4.2 25.4 1.0
O a:HOH525 4.3 26.4 1.0
CG a:GLU333 4.3 24.9 1.0
OD1 a:ASP170 4.4 26.0 1.0
OXT a:ALA344 4.4 27.5 1.0
CD2 a:HIS332 4.5 23.5 1.0
CG c:GLU354 4.5 27.3 1.0
O a:HOH593 4.6 26.3 1.0
OD1 a:ASP342 4.6 25.1 1.0
CB a:GLU333 4.7 25.2 1.0
CG a:ASP170 4.7 23.6 1.0
O a:HOH616 4.7 30.1 1.0
O a:ALA344 4.8 30.4 1.0
CE1 a:HIS337 4.8 24.2 1.0
OD2 a:ASP342 4.9 25.9 1.0
O a:HOH649 4.9 29.6 1.0
OE2 a:GLU189 4.9 24.1 1.0

Manganese binding site 8 out of 8 in 5v2c

Go back to Manganese Binding Sites List in 5v2c
Manganese binding site 8 out of 8 in the Re-Refinement of Crystal Structure 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 Re-Refinement of Crystal Structure of Photosystem II Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
a:Mn402

b:27.6
occ:1.00
MN4 a:OEX402 0.0 27.6 1.0
O4 a:OEX402 2.0 26.2 1.0
OD2 a:ASP170 2.0 28.5 1.0
OE2 a:GLU333 2.1 24.1 1.0
O a:HOH616 2.1 30.1 1.0
O a:HOH593 2.2 26.3 1.0
O5 a:OEX402 2.4 25.8 1.0
MN3 a:OEX402 3.0 23.7 1.0
CD a:GLU333 3.0 25.9 1.0
CG a:ASP170 3.1 23.6 1.0
OE1 a:GLU333 3.2 27.1 1.0
OD1 a:ASP170 3.7 26.0 1.0
O a:HOH649 3.7 29.6 1.0
CA1 a:OEX402 3.8 26.4 1.0
O2 a:OEX402 3.9 26.3 1.0
O a:HOH525 4.0 26.4 1.0
O a:HOH545 4.1 28.5 1.0
OD1 a:ASP61 4.2 28.1 1.0
O a:HOH606 4.2 28.6 1.0
CG a:GLU333 4.4 24.9 1.0
CB a:ASP170 4.4 24.4 1.0
O a:SER169 4.4 22.6 1.0
CA a:ASP170 4.5 23.9 1.0
O3 a:OEX402 4.6 24.7 1.0
O a:HOH523 4.7 24.5 1.0
NH2 c:ARG357 4.8 35.3 1.0
OE2 c:GLU354 4.8 23.9 1.0
C a:SER169 4.9 20.6 1.0
MN1 a:OEX402 4.9 24.4 1.0
N a:ASP170 5.0 19.5 1.0

Reference:

J.M.Wiwczar, A.M.Lafountain, J.Wang, H.A.Frank, G.W.Brudvig. Chlorophyll A with A Farnesyl Tail in Thermophilic Cyanobacteria. Photosyn. Res. V. 134 175 2017.
ISSN: ISSN 1573-5079
PubMed: 28741056
DOI: 10.1007/S11120-017-0425-4
Page generated: Tue Dec 15 04:47:36 2020

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