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Manganese in PDB 4il6: Structure of Sr-Substituted Photosystem II

Enzymatic activity of Structure of Sr-Substituted Photosystem II

All present enzymatic activity of Structure of Sr-Substituted Photosystem II:
1.10.3.9;

Protein crystallography data

The structure of Structure of Sr-Substituted Photosystem II, PDB code: 4il6 was solved by F.H.M.Koua, Y.Umena, K.Kawakami, N.Kamiya, J.R.Shen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.96 / 2.10
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 121.860, 228.790, 285.760, 90.00, 90.00, 90.00
R / Rfree (%) 17.6 / 20.5

Other elements in 4il6:

The structure of Structure of Sr-Substituted Photosystem II also contains other interesting chemical elements:

Strontium (Sr) 2 atoms
Magnesium (Mg) 74 atoms
Iron (Fe) 6 atoms
Chlorine (Cl) 4 atoms

Manganese Binding Sites:

The binding sites of Manganese atom in the Structure of Sr-Substituted Photosystem II (pdb code 4il6). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 8 binding sites of Manganese where determined in the Structure of Sr-Substituted Photosystem II, PDB code: 4il6:
Jump to Manganese binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Manganese binding site 1 out of 8 in 4il6

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Manganese binding site 1 out of 8 in the Structure of Sr-Substituted Photosystem II


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Structure of Sr-Substituted Photosystem II within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn1001

b:24.9
occ:1.00
MN1 A:OER1001 0.0 24.9 1.0
OE2 A:GLU189 1.8 28.7 1.0
O3 A:OER1001 1.9 25.6 1.0
O1 A:OER1001 2.1 26.0 1.0
OD2 A:ASP342 2.1 25.3 1.0
NE2 A:HIS332 2.2 20.6 1.0
O5 A:OER1001 2.6 27.3 1.0
MN2 A:OER1001 2.8 25.5 1.0
CD A:GLU189 2.9 27.4 1.0
CG A:ASP342 3.1 25.3 1.0
CD2 A:HIS332 3.1 20.4 1.0
CE1 A:HIS332 3.2 21.6 1.0
O2 A:OER1001 3.2 25.6 1.0
MN3 A:OER1001 3.3 26.9 1.0
OD1 A:ASP342 3.4 26.2 1.0
OE1 A:GLU189 3.4 27.2 1.0
SR1 A:OER1001 3.6 27.0 0.7
NE2 A:HIS337 4.0 23.8 1.0
O A:HOH1199 4.0 42.9 1.0
OE1 A:GLU333 4.0 21.4 1.0
CG A:GLU189 4.1 26.6 1.0
ND1 A:HIS332 4.3 20.8 1.0
CG A:HIS332 4.3 21.1 1.0
CB A:ASP342 4.4 25.5 1.0
OE1 C:GLU354 4.5 25.8 1.0
CE1 A:HIS337 4.5 23.8 1.0
OXT A:ALA344 4.5 28.8 1.0
CG1 A:VAL185 4.5 19.5 1.0
OE2 C:GLU354 4.7 24.5 1.0
O4 A:OER1001 4.9 28.1 1.0
O A:ALA344 4.9 28.5 1.0
CD A:GLU333 4.9 21.7 1.0

Manganese binding site 2 out of 8 in 4il6

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Manganese binding site 2 out of 8 in the Structure of Sr-Substituted Photosystem II


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Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Structure of Sr-Substituted Photosystem II within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn1001

b:25.5
occ:1.00
MN2 A:OER1001 0.0 25.5 1.0
O2 A:OER1001 1.8 25.6 1.0
O1 A:OER1001 1.9 26.0 1.0
OD1 A:ASP342 2.0 26.2 1.0
OXT A:ALA344 2.0 28.8 1.0
O3 A:OER1001 2.0 25.6 1.0
OE1 C:GLU354 2.1 25.8 1.0
MN1 A:OER1001 2.8 24.9 1.0
CG A:ASP342 2.9 25.3 1.0
MN3 A:OER1001 2.9 26.9 1.0
C A:ALA344 3.0 28.7 1.0
OD2 A:ASP342 3.1 25.3 1.0
CD C:GLU354 3.1 24.6 1.0
OE2 C:GLU354 3.3 24.5 1.0
O A:ALA344 3.3 28.5 1.0
SR1 A:OER1001 3.5 27.0 0.7
NE2 A:HIS337 3.7 23.8 1.0
O5 A:OER1001 3.9 27.3 1.0
O C:HOH642 4.0 24.2 1.0
O A:HOH1199 4.0 42.9 1.0
CA A:ALA344 4.2 29.4 1.0
OE2 A:GLU189 4.3 28.7 1.0
N A:ALA344 4.3 29.4 1.0
CB A:ASP342 4.3 25.5 1.0
CD2 A:HIS337 4.3 24.0 1.0
O4 A:OER1001 4.4 28.1 1.0
CG C:GLU354 4.4 25.2 1.0
NH2 C:ARG357 4.5 26.1 1.0
OE1 A:GLU333 4.6 21.4 1.0
NE2 A:HIS332 4.6 20.6 1.0
CA A:ASP342 4.7 25.9 1.0
C A:ASP342 4.8 26.7 1.0
CB C:GLU354 4.9 24.4 1.0
CE1 A:HIS337 4.9 23.8 1.0
NH1 C:ARG357 4.9 24.9 1.0
CD A:GLU189 5.0 27.4 1.0

Manganese binding site 3 out of 8 in 4il6

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Manganese binding site 3 out of 8 in the Structure of Sr-Substituted Photosystem II


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 3 of Structure of Sr-Substituted Photosystem II within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn1001

b:26.9
occ:1.00
MN3 A:OER1001 0.0 26.9 1.0
O2 A:OER1001 1.7 25.6 1.0
O4 A:OER1001 1.7 28.1 1.0
O3 A:OER1001 2.0 25.6 1.0
OE1 A:GLU333 2.1 21.4 1.0
OE2 C:GLU354 2.2 24.5 1.0
O5 A:OER1001 2.5 27.3 1.0
MN4 A:OER1001 2.9 28.7 1.0
MN2 A:OER1001 2.9 25.5 1.0
CD A:GLU333 3.0 21.7 1.0
CD C:GLU354 3.1 24.6 1.0
OE2 A:GLU333 3.3 22.8 1.0
MN1 A:OER1001 3.3 24.9 1.0
OE1 C:GLU354 3.4 25.8 1.0
SR1 A:OER1001 3.6 27.0 0.7
O1 A:OER1001 3.7 26.0 1.0
NH2 C:ARG357 3.8 26.1 1.0
O C:HOH736 4.0 40.2 1.0
OD2 A:ASP170 4.1 25.5 1.0
NE2 A:HIS337 4.1 23.8 1.0
O A:HOH1157 4.2 29.1 1.0
NE2 A:HIS332 4.3 20.6 1.0
OD1 A:ASP170 4.4 25.4 1.0
OXT A:ALA344 4.4 28.8 1.0
CG A:GLU333 4.4 21.8 1.0
O A:HOH1166 4.5 30.6 1.0
CD2 A:HIS332 4.5 20.4 1.0
CG C:GLU354 4.5 25.2 1.0
O A:HOH1139 4.6 25.2 1.0
CG A:ASP170 4.7 25.0 1.0
OD1 A:ASP342 4.7 26.2 1.0
CE1 A:HIS337 4.7 23.8 1.0
OD2 A:ASP342 4.8 25.3 1.0
O A:ALA344 4.8 28.5 1.0
CB A:GLU333 4.8 21.5 1.0
OE2 A:GLU189 4.9 28.7 1.0
CZ C:ARG357 4.9 25.7 1.0

Manganese binding site 4 out of 8 in 4il6

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Manganese binding site 4 out of 8 in the Structure of Sr-Substituted Photosystem II


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 4 of Structure of Sr-Substituted Photosystem II within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn1001

b:28.7
occ:1.00
MN4 A:OER1001 0.0 28.7 1.0
O4 A:OER1001 1.9 28.1 1.0
O A:HOH1166 2.0 30.6 1.0
O A:HOH1139 2.1 25.2 1.0
OD2 A:ASP170 2.1 25.5 1.0
OE2 A:GLU333 2.2 22.8 1.0
O5 A:OER1001 2.6 27.3 1.0
MN3 A:OER1001 2.9 26.9 1.0
CD A:GLU333 3.1 21.7 1.0
CG A:ASP170 3.3 25.0 1.0
OE1 A:GLU333 3.3 21.4 1.0
OD1 A:ASP170 3.8 25.4 1.0
O A:HOH1157 3.8 29.1 1.0
O2 A:OER1001 3.9 25.6 1.0
O A:HOH1169 4.0 32.3 1.0
SR1 A:OER1001 4.0 27.0 0.7
O A:HOH1155 4.0 29.3 1.0
OD1 A:ASP61 4.2 24.8 1.0
O A:SER169 4.3 24.2 1.0
O A:HOH1167 4.3 33.3 1.0
CG A:GLU333 4.4 21.8 1.0
CB A:ASP170 4.5 24.3 1.0
O3 A:OER1001 4.6 25.6 1.0
CA A:ASP170 4.6 24.1 1.0
NH2 C:ARG357 4.6 26.1 1.0
OE2 C:GLU354 4.7 24.5 1.0
O A:HOH1143 4.7 26.4 1.0
C A:SER169 4.9 23.8 1.0
N A:ASP170 5.0 23.7 1.0

Manganese binding site 5 out of 8 in 4il6

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Manganese binding site 5 out of 8 in the Structure of Sr-Substituted Photosystem II


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 5 of Structure of Sr-Substituted Photosystem II within 5.0Å range:
probe atom residue distance (Å) B Occ
a:Mn403

b:27.5
occ:1.00
MN1 a:OER403 0.0 27.5 1.0
OE2 a:GLU189 1.8 30.1 1.0
O1 a:OER403 1.9 28.0 1.0
O3 a:OER403 2.0 28.6 1.0
NE2 a:HIS332 2.1 27.9 1.0
OD2 a:ASP342 2.2 30.7 1.0
O5 a:OER403 2.7 29.3 1.0
MN2 a:OER403 2.7 28.5 1.0
CD a:GLU189 2.9 30.4 1.0
CD2 a:HIS332 3.1 27.0 1.0
CG a:ASP342 3.1 29.6 1.0
CE1 a:HIS332 3.1 26.8 1.0
O2 a:OER403 3.3 28.9 1.0
MN3 a:OER403 3.3 28.3 1.0
OD1 a:ASP342 3.3 29.1 1.0
OE1 a:GLU189 3.4 30.1 1.0
SR1 a:OER403 3.6 28.9 0.7
NE2 a:HIS337 4.0 28.3 1.0
OE1 a:GLU333 4.1 26.5 1.0
CG a:GLU189 4.1 29.9 1.0
ND1 a:HIS332 4.2 26.1 1.0
CG a:HIS332 4.3 26.6 1.0
OXT a:ALA344 4.4 31.6 1.0
CB a:ASP342 4.5 29.2 1.0
OE1 c:GLU354 4.5 28.3 1.0
CG1 a:VAL185 4.5 23.2 1.0
CE1 a:HIS337 4.6 28.0 1.0
O a:ALA344 4.8 33.5 1.0
OE2 c:GLU354 4.8 28.0 1.0
CD a:GLU333 4.9 25.2 1.0
O4 a:OER403 5.0 29.6 1.0
C a:ALA344 5.0 32.9 1.0

Manganese binding site 6 out of 8 in 4il6

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Manganese binding site 6 out of 8 in the Structure of Sr-Substituted Photosystem II


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 6 of Structure of Sr-Substituted Photosystem II within 5.0Å range:
probe atom residue distance (Å) B Occ
a:Mn403

b:28.5
occ:1.00
MN2 a:OER403 0.0 28.5 1.0
O2 a:OER403 1.8 28.9 1.0
O1 a:OER403 1.9 28.0 1.0
OXT a:ALA344 1.9 31.6 1.0
O3 a:OER403 2.0 28.6 1.0
OD1 a:ASP342 2.1 29.1 1.0
OE1 c:GLU354 2.2 28.3 1.0
MN1 a:OER403 2.7 27.5 1.0
C a:ALA344 2.9 32.9 1.0
MN3 a:OER403 2.9 28.3 1.0
CG a:ASP342 2.9 29.6 1.0
CD c:GLU354 3.1 27.8 1.0
OD2 a:ASP342 3.1 30.7 1.0
O a:ALA344 3.2 33.5 1.0
OE2 c:GLU354 3.4 28.0 1.0
SR1 a:OER403 3.5 28.9 0.7
O5 a:OER403 3.8 29.3 1.0
NE2 a:HIS337 3.9 28.3 1.0
O c:HOH648 3.9 28.4 1.0
OE2 a:GLU189 4.2 30.1 1.0
CA a:ALA344 4.2 32.9 1.0
N a:ALA344 4.3 33.0 1.0
O4 a:OER403 4.3 29.6 1.0
CB a:ASP342 4.4 29.2 1.0
CD2 a:HIS337 4.4 27.2 1.0
CG c:GLU354 4.5 27.4 1.0
NE2 a:HIS332 4.5 27.9 1.0
OE1 a:GLU333 4.5 26.5 1.0
CA a:ASP342 4.8 29.3 1.0
NH1 c:ARG357 4.8 30.7 1.0
NH2 c:ARG357 4.9 31.5 1.0
C a:ASP342 4.9 29.9 1.0
OE1 a:GLU189 4.9 30.1 1.0
CD a:GLU189 4.9 30.4 1.0
O a:HOH514 4.9 31.6 1.0
CB c:GLU354 4.9 26.5 1.0

Manganese binding site 7 out of 8 in 4il6

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Manganese binding site 7 out of 8 in the Structure of Sr-Substituted Photosystem II


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 7 of Structure of Sr-Substituted Photosystem II within 5.0Å range:
probe atom residue distance (Å) B Occ
a:Mn403

b:28.3
occ:1.00
MN3 a:OER403 0.0 28.3 1.0
O2 a:OER403 1.7 28.9 1.0
O4 a:OER403 1.9 29.6 1.0
O3 a:OER403 1.9 28.6 1.0
OE1 a:GLU333 2.0 26.5 1.0
OE2 c:GLU354 2.2 28.0 1.0
O5 a:OER403 2.4 29.3 1.0
MN4 a:OER403 2.9 31.2 1.0
MN2 a:OER403 2.9 28.5 1.0
CD a:GLU333 3.0 25.2 1.0
CD c:GLU354 3.1 27.8 1.0
OE2 a:GLU333 3.2 26.1 1.0
MN1 a:OER403 3.3 27.5 1.0
OE1 c:GLU354 3.4 28.3 1.0
O1 a:OER403 3.6 28.0 1.0
SR1 a:OER403 3.6 28.9 0.7
O c:HOH680 4.0 34.6 1.0
NH2 c:ARG357 4.1 31.5 1.0
NE2 a:HIS337 4.2 28.3 1.0
OD2 a:ASP170 4.2 29.8 1.0
NE2 a:HIS332 4.2 27.9 1.0
O a:HOH552 4.3 28.2 1.0
CG a:GLU333 4.4 24.7 1.0
OXT a:ALA344 4.4 31.6 1.0
CD2 a:HIS332 4.4 27.0 1.0
OD1 a:ASP170 4.5 29.9 1.0
O a:HOH548 4.5 31.9 1.0
CG c:GLU354 4.5 27.4 1.0
O a:HOH530 4.6 31.0 1.0
OD1 a:ASP342 4.7 29.1 1.0
CB a:GLU333 4.8 24.5 1.0
O a:ALA344 4.8 33.5 1.0
CG a:ASP170 4.8 29.2 1.0
CE1 a:HIS337 4.8 28.0 1.0
OD2 a:ASP342 4.9 30.7 1.0
OE2 a:GLU189 4.9 30.1 1.0

Manganese binding site 8 out of 8 in 4il6

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Manganese binding site 8 out of 8 in the Structure of Sr-Substituted Photosystem II


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 8 of Structure of Sr-Substituted Photosystem II within 5.0Å range:
probe atom residue distance (Å) B Occ
a:Mn403

b:31.2
occ:1.00
MN4 a:OER403 0.0 31.2 1.0
O4 a:OER403 1.9 29.6 1.0
O a:HOH548 2.1 31.9 1.0
OD2 a:ASP170 2.1 29.8 1.0
O a:HOH530 2.1 31.0 1.0
OE2 a:GLU333 2.1 26.1 1.0
O5 a:OER403 2.5 29.3 1.0
MN3 a:OER403 2.9 28.3 1.0
CD a:GLU333 3.1 25.2 1.0
CG a:ASP170 3.3 29.2 1.0
OE1 a:GLU333 3.3 26.5 1.0
O a:HOH552 3.7 28.2 1.0
O2 a:OER403 3.8 28.9 1.0
OD1 a:ASP170 3.8 29.9 1.0
SR1 a:OER403 4.0 28.9 0.7
O a:HOH585 4.0 30.5 1.0
O a:HOH550 4.1 35.8 1.0
OD1 a:ASP61 4.1 28.2 1.0
O a:HOH575 4.3 31.8 1.0
O a:SER169 4.3 24.7 1.0
CG a:GLU333 4.4 24.7 1.0
CB a:ASP170 4.5 27.7 1.0
O3 a:OER403 4.5 28.6 1.0
CA a:ASP170 4.6 27.0 1.0
NH2 c:ARG357 4.7 31.5 1.0
OE2 c:GLU354 4.7 28.0 1.0
O d:HOH561 4.7 31.6 1.0
OG a:SER169 4.9 25.5 1.0
C a:SER169 4.9 25.4 1.0
O a:HOH574 4.9 21.4 1.0
N a:ASP170 5.0 26.0 1.0
CG a:ASP61 5.0 27.4 1.0

Reference:

F.H.Koua, Y.Umena, K.Kawakami, J.R.Shen. Structure of Sr-Substituted Photosystem II at 2.1 A Resolution and Its Implications in the Mechanism of Water Oxidation Proc.Natl.Acad.Sci.Usa V. 110 3889 2013.
ISSN: ISSN 0027-8424
PubMed: 23426624
DOI: 10.1073/PNAS.1219922110
Page generated: Sat Oct 5 19:49:59 2024

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