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Copper in PDB 4rkm: Wolinella Succinogenes Octaheme Sulfite Reductase Mcca, Form I

Protein crystallography data

The structure of Wolinella Succinogenes Octaheme Sulfite Reductase Mcca, Form I, PDB code: 4rkm was solved by B.Hermann, M.Kern, L.La Pietra, J.Simon, O.Einsle, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 49.37 / 2.20
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 211.121, 103.042, 233.070, 90.00, 98.46, 90.00
R / Rfree (%) 18.4 / 22

Other elements in 4rkm:

The structure of Wolinella Succinogenes Octaheme Sulfite Reductase Mcca, Form I also contains other interesting chemical elements:

Iron (Fe) 96 atoms

Copper Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 12;

Binding sites:

The binding sites of Copper atom in the Wolinella Succinogenes Octaheme Sulfite Reductase Mcca, Form I (pdb code 4rkm). This binding sites where shown within 5.0 Angstroms radius around Copper atom.
In total 12 binding sites of Copper where determined in the Wolinella Succinogenes Octaheme Sulfite Reductase Mcca, Form I, PDB code: 4rkm:
Jump to Copper binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Copper binding site 1 out of 12 in 4rkm

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Copper binding site 1 out of 12 in the Wolinella Succinogenes Octaheme Sulfite Reductase Mcca, Form I


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 1 of Wolinella Succinogenes Octaheme Sulfite Reductase Mcca, Form I within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cu801

b:26.7
occ:1.00
SG A:CYS399 2.2 19.8 1.0
SG A:CYS495 2.2 22.3 1.0
CHA A:HEM807 2.9 16.8 1.0
CB A:CYS399 3.0 19.1 1.0
S A:SO2814 3.1 16.2 0.3
CB A:CYS495 3.1 21.8 1.0
C4D A:HEM807 3.2 17.0 1.0
C1A A:HEM807 3.3 16.8 1.0
CA A:CYS495 3.3 21.1 1.0
O2 A:SO2814 3.4 16.4 0.3
S A:SX802 3.6 50.5 0.7
O A:CYS495 3.7 19.6 1.0
ND A:HEM807 3.7 17.0 1.0
O1 A:SO2814 3.8 16.1 0.3
C3D A:HEM807 3.8 16.7 1.0
NA A:HEM807 3.9 17.0 1.0
C A:CYS495 3.9 20.8 1.0
NZ A:LYS393 4.1 22.3 1.0
C2A A:HEM807 4.2 16.6 1.0
CAD A:HEM807 4.2 17.0 1.0
O A:HOH929 4.4 15.5 1.0
FE A:HEM807 4.4 17.2 1.0
CE A:LYS208 4.4 18.6 1.0
C1D A:HEM807 4.5 16.8 1.0
CA A:CYS399 4.5 18.9 1.0
NZ A:LYS208 4.5 19.0 1.0
O A:SX802 4.5 45.5 0.7
C2D A:HEM807 4.5 16.6 1.0
N A:CYS495 4.7 21.6 1.0
CAA A:HEM807 4.7 16.2 1.0
C4A A:HEM807 4.8 16.8 1.0
CE A:LYS393 4.8 22.2 1.0
N A:CYS399 4.9 18.9 1.0
C3A A:HEM807 4.9 16.6 1.0

Copper binding site 2 out of 12 in 4rkm

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Copper binding site 2 out of 12 in the Wolinella Succinogenes Octaheme Sulfite Reductase Mcca, Form I


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 2 of Wolinella Succinogenes Octaheme Sulfite Reductase Mcca, Form I within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cu801

b:35.5
occ:1.00
SG B:CYS495 2.2 30.7 1.0
SG B:CYS399 2.2 27.1 1.0
CHA B:HEM808 2.9 25.8 1.0
CB B:CYS399 2.9 25.9 1.0
C4D B:HEM808 3.1 25.5 1.0
CB B:CYS495 3.1 29.4 1.0
CA B:CYS495 3.3 28.3 1.0
S B:SX802 3.3 52.3 1.0
C1A B:HEM808 3.4 26.1 1.0
O B:CYS495 3.5 27.4 1.0
ND B:HEM808 3.6 26.0 1.0
C3D B:HEM808 3.7 25.6 1.0
C B:CYS495 3.8 28.2 1.0
NZ B:LYS393 3.8 32.0 1.0
NA B:HEM808 3.9 26.4 1.0
CAD B:HEM808 4.1 25.7 1.0
O B:SX802 4.1 51.0 1.0
O B:HOH977 4.2 25.1 1.0
C2A B:HEM808 4.3 26.1 1.0
C1D B:HEM808 4.4 25.4 1.0
CA B:CYS399 4.4 25.5 1.0
FE B:HEM808 4.4 25.4 1.0
C2D B:HEM808 4.4 25.5 1.0
CE B:LYS208 4.4 27.1 1.0
NZ B:LYS208 4.5 28.0 1.0
N B:CYS495 4.7 27.6 1.0
CAA B:HEM808 4.8 26.8 1.0
N B:CYS399 4.8 25.5 1.0
O B:HOH1148 4.9 38.9 1.0
C4A B:HEM808 4.9 25.9 1.0
CE B:LYS393 4.9 31.1 1.0

Copper binding site 3 out of 12 in 4rkm

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Copper binding site 3 out of 12 in the Wolinella Succinogenes Octaheme Sulfite Reductase Mcca, Form I


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 3 of Wolinella Succinogenes Octaheme Sulfite Reductase Mcca, Form I within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cu801

b:31.6
occ:1.00
SG C:CYS399 2.2 29.8 1.0
SG C:CYS495 2.2 27.2 1.0
CB C:CYS399 2.9 26.7 1.0
CHA C:HEM807 3.0 23.1 1.0
CB C:CYS495 3.0 27.3 1.0
C4D C:HEM807 3.2 23.3 1.0
CA C:CYS495 3.3 27.6 1.0
S C:SX802 3.3 56.4 1.0
C1A C:HEM807 3.4 23.0 1.0
O C:CYS495 3.5 28.4 1.0
ND C:HEM807 3.7 23.2 1.0
C C:CYS495 3.8 28.2 1.0
C3D C:HEM807 3.8 23.3 1.0
NZ C:LYS393 3.9 33.6 1.0
NA C:HEM807 4.0 23.3 1.0
O C:SX802 4.0 56.0 1.0
CAD C:HEM807 4.2 23.3 1.0
C2A C:HEM807 4.3 22.7 1.0
O C:HOH918 4.3 19.0 1.0
NZ C:LYS208 4.4 26.1 1.0
CA C:CYS399 4.4 26.0 1.0
FE C:HEM807 4.4 23.8 1.0
C1D C:HEM807 4.4 23.0 1.0
CE C:LYS208 4.4 25.6 1.0
C2D C:HEM807 4.5 23.6 1.0
N C:CYS495 4.6 27.9 1.0
O C:HOH1127 4.7 37.5 1.0
CAA C:HEM807 4.8 22.6 1.0
N C:CYS399 4.8 25.5 1.0
C4A C:HEM807 4.9 23.1 1.0

Copper binding site 4 out of 12 in 4rkm

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Copper binding site 4 out of 12 in the Wolinella Succinogenes Octaheme Sulfite Reductase Mcca, Form I


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 4 of Wolinella Succinogenes Octaheme Sulfite Reductase Mcca, Form I within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cu801

b:33.7
occ:1.00
SG D:CYS495 2.2 27.3 1.0
SG D:CYS399 2.3 29.6 1.0
CHA D:HEM807 2.8 22.8 1.0
CB D:CYS399 2.9 27.0 1.0
C4D D:HEM807 3.0 23.0 1.0
CB D:CYS495 3.1 26.8 1.0
S D:SO2802 3.2 54.9 1.0
C1A D:HEM807 3.4 23.0 1.0
CA D:CYS495 3.5 26.2 1.0
ND D:HEM807 3.6 23.5 1.0
C3D D:HEM807 3.6 23.1 1.0
O2 D:SO2802 3.7 53.5 1.0
O D:CYS495 3.7 26.1 1.0
NA D:HEM807 3.9 23.3 1.0
O1 D:SO2802 3.9 51.4 1.0
C D:CYS495 4.0 26.2 1.0
CAD D:HEM807 4.0 23.0 1.0
NZ D:LYS393 4.2 29.6 1.0
O D:HOH916 4.2 23.1 1.0
C2A D:HEM807 4.2 22.6 1.0
C1D D:HEM807 4.3 23.4 1.0
C2D D:HEM807 4.3 23.1 1.0
FE D:HEM807 4.3 24.0 1.0
CA D:CYS399 4.4 26.2 1.0
CE D:LYS208 4.6 25.5 1.0
NZ D:LYS208 4.6 25.7 1.0
CAA D:HEM807 4.7 22.4 1.0
N D:CYS495 4.8 25.8 1.0
N D:CYS399 4.9 26.0 1.0
C4A D:HEM807 4.9 22.9 1.0
C D:CYS399 5.0 26.0 1.0
CE D:LYS393 5.0 28.3 1.0

Copper binding site 5 out of 12 in 4rkm

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Copper binding site 5 out of 12 in the Wolinella Succinogenes Octaheme Sulfite Reductase Mcca, Form I


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 5 of Wolinella Succinogenes Octaheme Sulfite Reductase Mcca, Form I within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cu801

b:37.9
occ:1.00
SG E:CYS495 2.2 31.1 1.0
SG E:CYS399 2.2 29.0 1.0
CHA E:HEM807 2.8 29.4 1.0
CB E:CYS399 3.1 28.5 1.0
C4D E:HEM807 3.1 29.2 1.0
CB E:CYS495 3.2 30.4 1.0
C1A E:HEM807 3.3 29.4 1.0
S E:SX802 3.4 68.9 1.0
CA E:CYS495 3.4 30.4 1.0
O E:CYS495 3.5 30.4 1.0
ND E:HEM807 3.7 29.0 1.0
C3D E:HEM807 3.8 29.8 1.0
C E:CYS495 3.9 31.2 1.0
NA E:HEM807 3.9 28.8 1.0
NZ E:LYS393 3.9 35.8 1.0
O E:SX802 4.0 66.2 1.0
C2A E:HEM807 4.1 28.6 1.0
CAD E:HEM807 4.2 31.0 1.0
CE E:LYS208 4.3 31.5 1.0
NZ E:LYS208 4.3 32.3 1.0
FE E:HEM807 4.4 29.4 1.0
O E:HOH970 4.4 25.8 1.0
C1D E:HEM807 4.5 29.1 1.0
CA E:CYS399 4.5 28.2 1.0
C2D E:HEM807 4.5 29.6 1.0
CAA E:HEM807 4.6 28.8 1.0
N E:CYS495 4.8 29.5 1.0
C4A E:HEM807 4.8 28.9 1.0
N E:CYS399 4.9 28.8 1.0
C3A E:HEM807 4.9 28.7 1.0

Copper binding site 6 out of 12 in 4rkm

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Copper binding site 6 out of 12 in the Wolinella Succinogenes Octaheme Sulfite Reductase Mcca, Form I


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 6 of Wolinella Succinogenes Octaheme Sulfite Reductase Mcca, Form I within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Cu801

b:38.2
occ:1.00
SG F:CYS399 2.2 28.3 1.0
SG F:CYS495 2.2 38.1 1.0
CB F:CYS399 2.9 27.1 1.0
CHA F:HEM808 3.0 28.4 1.0
CB F:CYS495 3.1 34.7 1.0
C4D F:HEM808 3.2 28.3 1.0
CA F:CYS495 3.3 33.4 1.0
C1A F:HEM808 3.4 28.5 1.0
S F:SX802 3.4 73.1 1.0
O F:CYS495 3.6 33.5 1.0
ND F:HEM808 3.7 29.2 1.0
C3D F:HEM808 3.8 27.8 1.0
NZ F:LYS393 3.8 31.8 1.0
C F:CYS495 3.9 33.3 1.0
NA F:HEM808 3.9 28.4 1.0
O F:SX802 4.1 69.6 1.0
CAD F:HEM808 4.2 27.2 1.0
C2A F:HEM808 4.2 27.6 1.0
CA F:CYS399 4.3 27.2 1.0
O F:HOH1063 4.4 28.6 1.0
FE F:HEM808 4.4 29.6 1.0
C1D F:HEM808 4.4 28.0 1.0
NZ F:LYS208 4.4 30.1 1.0
C2D F:HEM808 4.5 28.4 1.0
CE F:LYS208 4.5 29.0 1.0
N F:CYS495 4.7 31.6 1.0
O F:HOH1086 4.7 43.4 1.0
CAA F:HEM808 4.7 27.4 1.0
N F:CYS399 4.8 26.7 1.0
C4A F:HEM808 4.9 29.1 1.0
CE F:LYS393 5.0 31.5 1.0
C F:CYS399 5.0 27.3 1.0

Copper binding site 7 out of 12 in 4rkm

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Copper binding site 7 out of 12 in the Wolinella Succinogenes Octaheme Sulfite Reductase Mcca, Form I


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 7 of Wolinella Succinogenes Octaheme Sulfite Reductase Mcca, Form I within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Cu801

b:45.1
occ:1.00
SG H:CYS495 2.3 34.7 1.0
SG H:CYS399 2.3 34.2 1.0
CHA H:HEM808 2.8 28.9 1.0
C4D H:HEM808 3.1 28.9 1.0
CB H:CYS399 3.1 31.0 1.0
CB H:CYS495 3.1 33.1 1.0
S H:SX802 3.3 61.4 1.0
C1A H:HEM808 3.3 29.2 1.0
CA H:CYS495 3.4 32.5 1.0
O H:CYS495 3.5 31.5 1.0
ND H:HEM808 3.7 29.6 1.0
C3D H:HEM808 3.7 28.1 1.0
C H:CYS495 3.9 32.6 1.0
NA H:HEM808 3.9 30.2 1.0
O H:SX802 3.9 58.4 1.0
NZ H:LYS393 4.0 37.5 1.0
CAD H:HEM808 4.1 27.4 1.0
C2A H:HEM808 4.2 28.9 1.0
O H:HOH931 4.2 26.1 1.0
CE H:LYS208 4.3 31.3 1.0
FE H:HEM808 4.4 30.0 1.0
C1D H:HEM808 4.4 28.7 1.0
C2D H:HEM808 4.4 28.7 1.0
NZ H:LYS208 4.5 31.1 1.0
CA H:CYS399 4.5 29.0 1.0
CAA H:HEM808 4.6 27.5 1.0
N H:CYS495 4.7 31.5 1.0
C4A H:HEM808 4.9 29.5 1.0
C3A H:HEM808 5.0 29.2 1.0
N H:CYS399 5.0 28.6 1.0
CE H:LYS393 5.0 35.7 1.0

Copper binding site 8 out of 12 in 4rkm

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Copper binding site 8 out of 12 in the Wolinella Succinogenes Octaheme Sulfite Reductase Mcca, Form I


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 8 of Wolinella Succinogenes Octaheme Sulfite Reductase Mcca, Form I within 5.0Å range:
probe atom residue distance (Å) B Occ
I:Cu801

b:39.7
occ:1.00
SG I:CYS495 2.2 35.2 1.0
SG I:CYS399 2.3 34.7 1.0
CHA I:HEM807 2.9 32.8 1.0
CB I:CYS399 3.1 33.0 1.0
C4D I:HEM807 3.1 32.0 1.0
CB I:CYS495 3.2 34.6 1.0
S I:SO2802 3.2 71.2 1.0
CA I:CYS495 3.3 34.2 1.0
C1A I:HEM807 3.4 32.7 1.0
O I:CYS495 3.5 33.6 1.0
ND I:HEM807 3.7 32.8 1.0
C3D I:HEM807 3.7 31.8 1.0
C I:CYS495 3.8 34.9 1.0
NA I:HEM807 3.9 32.5 1.0
O1 I:SO2802 3.9 64.0 1.0
NZ I:LYS393 4.0 36.3 1.0
O2 I:SO2802 4.1 64.0 1.0
CAD I:HEM807 4.1 30.8 1.0
O I:HOH990 4.2 32.4 1.0
C2A I:HEM807 4.2 32.1 1.0
CE I:LYS208 4.3 34.4 1.0
NZ I:LYS208 4.3 35.6 1.0
FE I:HEM807 4.4 32.7 1.0
C1D I:HEM807 4.4 32.0 1.0
C2D I:HEM807 4.4 32.2 1.0
CA I:CYS399 4.5 32.4 1.0
N I:CYS495 4.7 33.8 1.0
CAA I:HEM807 4.7 31.8 1.0
CE I:LYS393 4.8 35.1 1.0
C4A I:HEM807 4.9 31.7 1.0
N I:CYS399 4.9 32.5 1.0
CD I:LYS208 5.0 33.5 1.0

Copper binding site 9 out of 12 in 4rkm

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Copper binding site 9 out of 12 in the Wolinella Succinogenes Octaheme Sulfite Reductase Mcca, Form I


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 9 of Wolinella Succinogenes Octaheme Sulfite Reductase Mcca, Form I within 5.0Å range:
probe atom residue distance (Å) B Occ
J:Cu801

b:51.9
occ:1.00
SG J:CYS495 2.2 40.3 1.0
SG J:CYS399 2.3 37.4 1.0
CHA J:HEM807 2.8 36.2 1.0
CB J:CYS495 3.0 40.0 1.0
C4D J:HEM807 3.0 35.8 1.0
CB J:CYS399 3.0 36.6 1.0
S J:SX802 3.3 62.9 1.0
C1A J:HEM807 3.3 37.0 1.0
CA J:CYS495 3.4 41.2 1.0
O J:CYS495 3.6 38.9 1.0
ND J:HEM807 3.6 36.1 1.0
C3D J:HEM807 3.6 35.6 1.0
NA J:HEM807 3.9 36.7 1.0
C J:CYS495 3.9 41.9 1.0
NZ J:LYS393 4.0 45.2 1.0
CAD J:HEM807 4.1 34.8 1.0
O J:SX802 4.1 57.9 1.0
C2A J:HEM807 4.2 36.2 1.0
O J:HOH960 4.2 35.9 1.0
C1D J:HEM807 4.3 35.9 1.0
FE J:HEM807 4.3 36.9 1.0
C2D J:HEM807 4.4 35.8 1.0
NZ J:LYS208 4.5 42.8 1.0
CA J:CYS399 4.5 36.7 1.0
CE J:LYS208 4.5 42.1 1.0
CAA J:HEM807 4.6 37.2 1.0
O J:HOH1012 4.7 43.0 1.0
N J:CYS495 4.7 41.3 1.0
C4A J:HEM807 4.8 37.2 1.0
C3A J:HEM807 5.0 36.6 1.0

Copper binding site 10 out of 12 in 4rkm

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Copper binding site 10 out of 12 in the Wolinella Succinogenes Octaheme Sulfite Reductase Mcca, Form I


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 10 of Wolinella Succinogenes Octaheme Sulfite Reductase Mcca, Form I within 5.0Å range:
probe atom residue distance (Å) B Occ
K:Cu801

b:53.4
occ:1.00
SG K:CYS495 2.3 41.8 1.0
SG K:CYS399 2.3 42.4 1.0
CHA K:HEM807 3.0 41.4 1.0
S K:SX802 3.0 71.3 1.0
CB K:CYS399 3.0 41.0 1.0
CB K:CYS495 3.1 42.5 1.0
C4D K:HEM807 3.2 40.9 1.0
CA K:CYS495 3.3 42.3 1.0
C1A K:HEM807 3.4 41.8 1.0
O K:CYS495 3.5 41.6 1.0
ND K:HEM807 3.7 41.7 1.0
C K:CYS495 3.8 43.6 1.0
C3D K:HEM807 3.8 40.4 1.0
NZ K:LYS393 3.9 50.5 1.0
NA K:HEM807 3.9 42.5 1.0
O K:SX802 4.0 67.7 1.0
C2A K:HEM807 4.2 41.8 1.0
NZ K:LYS208 4.2 46.0 1.0
CAD K:HEM807 4.3 40.2 1.0
FE K:HEM807 4.3 40.5 1.0
CE K:LYS208 4.4 44.7 1.0
C1D K:HEM807 4.5 40.5 1.0
CA K:CYS399 4.5 40.6 1.0
O K:HOH985 4.5 36.2 1.0
C2D K:HEM807 4.5 40.8 1.0
N K:CYS495 4.7 41.4 1.0
CAA K:HEM807 4.7 42.4 1.0
C4A K:HEM807 4.8 42.2 1.0
CE K:LYS393 4.8 49.3 1.0
N K:CYS399 4.9 39.9 1.0
C3A K:HEM807 5.0 41.9 1.0

Reference:

B.Hermann, M.Kern, L.La Pietra, J.Simon, O.Einsle. The Octahaem Mcca Is A Haem C-Copper Sulphite Reductase Nature 2015.
ISSN: ESSN 1476-4687
DOI: 10.1038/NATURE14109
Page generated: Wed Jul 31 03:26:18 2024

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