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Copper in PDB 8r4f: Crystal Structure of the Native Copper Efflux Oxidase (Cueo) From Hafnia Alvei

Protein crystallography data

The structure of Crystal Structure of the Native Copper Efflux Oxidase (Cueo) From Hafnia Alvei, PDB code: 8r4f was solved by P.Leone, U.Contaldo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 46.56 / 3.19
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 90.53, 167.277, 229.621, 90, 90, 90
R / Rfree (%) 21.7 / 24.6

Copper Binding Sites:

The binding sites of Copper atom in the Crystal Structure of the Native Copper Efflux Oxidase (Cueo) From Hafnia Alvei (pdb code 8r4f). This binding sites where shown within 5.0 Angstroms radius around Copper atom.
In total 10 binding sites of Copper where determined in the Crystal Structure of the Native Copper Efflux Oxidase (Cueo) From Hafnia Alvei, PDB code: 8r4f:
Jump to Copper binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Copper binding site 1 out of 10 in 8r4f

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Copper binding site 1 out of 10 in the Crystal Structure of the Native Copper Efflux Oxidase (Cueo) From Hafnia Alvei


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 1 of Crystal Structure of the Native Copper Efflux Oxidase (Cueo) From Hafnia Alvei within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cu601

b:82.8
occ:1.00
ND1 A:HIS76 2.0 70.4 1.0
NE2 A:HIS114 2.0 65.0 1.0
NE2 A:HIS496 2.2 62.8 1.0
CE1 A:HIS76 2.8 70.6 1.0
CE1 A:HIS114 2.9 65.0 1.0
CD2 A:HIS114 3.0 64.0 1.0
CG A:HIS76 3.0 68.8 1.0
CE1 A:HIS496 3.1 62.9 1.0
CD2 A:HIS496 3.2 61.8 1.0
CB A:HIS76 3.5 67.4 1.0
CZ2 A:TRP112 3.6 68.7 1.0
CD2 A:HIS74 3.8 71.6 1.0
NE2 A:HIS76 4.0 70.4 1.0
CE2 A:TRP112 4.0 68.4 1.0
ND1 A:HIS114 4.0 64.3 1.0
NE1 A:TRP112 4.0 68.9 1.0
CG A:HIS114 4.0 62.9 1.0
CD2 A:HIS76 4.1 69.5 1.0
NE2 A:HIS74 4.3 72.4 1.0
ND1 A:HIS496 4.3 62.5 1.0
CG A:HIS496 4.3 60.5 1.0
CD2 A:HIS441 4.3 64.5 1.0
CH2 A:TRP112 4.4 68.6 1.0
NE2 A:HIS441 4.4 65.8 1.0
CA A:HIS76 4.7 67.2 1.0
CG A:HIS441 4.9 62.9 1.0

Copper binding site 2 out of 10 in 8r4f

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Copper binding site 2 out of 10 in the Crystal Structure of the Native Copper Efflux Oxidase (Cueo) From Hafnia Alvei


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 2 of Crystal Structure of the Native Copper Efflux Oxidase (Cueo) From Hafnia Alvei within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cu602

b:61.3
occ:1.00
ND1 A:HIS438 2.0 58.9 1.0
ND1 A:HIS500 2.0 54.0 1.0
SG A:CYS495 2.2 55.9 1.0
CE1 A:HIS438 2.8 59.5 1.0
CG A:HIS500 2.9 52.7 1.0
CB A:CYS495 3.1 55.7 1.0
CE1 A:HIS500 3.1 54.5 1.0
CG A:HIS438 3.1 56.8 1.0
CB A:HIS500 3.1 51.7 1.0
SD A:MET505 3.4 58.2 1.0
CB A:HIS438 3.6 53.9 1.0
O A:LEU437 3.8 53.9 1.0
CA A:HIS438 3.9 53.0 1.0
CB A:LEU497 3.9 49.9 1.0
NE2 A:HIS438 4.0 59.5 1.0
CD2 A:HIS500 4.1 53.5 1.0
NE2 A:HIS500 4.2 54.3 1.0
CD2 A:HIS438 4.2 58.2 1.0
CE A:MET505 4.3 56.7 1.0
CA A:CYS495 4.5 56.1 1.0
C A:LEU437 4.5 53.8 1.0
N A:HIS438 4.6 53.0 1.0
CD1 A:LEU497 4.6 49.9 1.0
O A:LEU497 4.7 50.6 1.0
CA A:HIS500 4.7 51.0 1.0
CG A:LEU497 4.8 49.7 1.0
CG A:MET505 4.8 56.9 1.0
N A:LEU497 4.9 51.7 1.0
CA A:LEU497 5.0 50.5 1.0
C A:HIS438 5.0 52.6 1.0

Copper binding site 3 out of 10 in 8r4f

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Copper binding site 3 out of 10 in the Crystal Structure of the Native Copper Efflux Oxidase (Cueo) From Hafnia Alvei


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 3 of Crystal Structure of the Native Copper Efflux Oxidase (Cueo) From Hafnia Alvei within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cu601

b:86.0
occ:1.00
NE2 B:HIS114 1.8 78.3 1.0
ND1 B:HIS76 2.1 61.9 1.0
NE2 B:HIS496 2.2 64.3 1.0
CE1 B:HIS114 2.7 78.3 1.0
CD2 B:HIS114 2.9 77.1 1.0
CE1 B:HIS76 3.0 62.2 1.0
CG B:HIS76 3.1 60.6 1.0
CE1 B:HIS496 3.1 64.3 1.0
CD2 B:HIS496 3.3 63.3 1.0
CB B:HIS76 3.6 59.9 1.0
CZ2 B:TRP112 3.7 68.4 1.0
CD2 B:HIS74 3.7 69.1 1.0
ND1 B:HIS114 3.8 77.7 1.0
CG B:HIS114 3.9 75.7 1.0
CE2 B:TRP112 4.1 67.8 1.0
NE2 B:HIS76 4.1 62.2 1.0
NE1 B:TRP112 4.2 68.2 1.0
CD2 B:HIS76 4.2 61.5 1.0
CD2 B:HIS441 4.2 60.2 1.0
NE2 B:HIS74 4.2 70.0 1.0
ND1 B:HIS496 4.3 63.9 1.0
NE2 B:HIS441 4.3 61.0 1.0
CG B:HIS496 4.4 62.2 1.0
CH2 B:TRP112 4.4 68.4 1.0
CA B:HIS76 4.7 60.3 1.0
CG B:HIS441 4.9 59.6 1.0
CG B:HIS74 4.9 68.4 1.0

Copper binding site 4 out of 10 in 8r4f

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Copper binding site 4 out of 10 in the Crystal Structure of the Native Copper Efflux Oxidase (Cueo) From Hafnia Alvei


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 4 of Crystal Structure of the Native Copper Efflux Oxidase (Cueo) From Hafnia Alvei within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cu602

b:52.5
occ:1.00
ND1 B:HIS438 1.9 56.2 1.0
ND1 B:HIS500 2.1 61.7 1.0
SG B:CYS495 2.2 58.5 1.0
CE1 B:HIS438 2.7 56.4 1.0
CG B:HIS500 3.0 59.8 1.0
CG B:HIS438 3.0 55.0 1.0
CE1 B:HIS500 3.1 62.0 1.0
CB B:CYS495 3.2 59.4 1.0
CB B:HIS500 3.2 59.1 1.0
SD B:MET505 3.4 54.8 1.0
CB B:HIS438 3.5 54.6 1.0
O B:LEU437 3.7 56.5 1.0
CA B:HIS438 3.8 54.9 1.0
NE2 B:HIS438 3.9 56.2 1.0
CB B:LEU497 4.0 59.6 1.0
CD2 B:HIS438 4.1 55.5 1.0
CD2 B:HIS500 4.1 60.5 1.0
NE2 B:HIS500 4.2 61.6 1.0
CE B:MET505 4.3 51.7 1.0
C B:LEU437 4.4 56.5 1.0
N B:HIS438 4.5 55.4 1.0
CA B:CYS495 4.6 60.0 1.0
CD1 B:LEU497 4.6 60.3 1.0
O B:LEU497 4.7 60.1 1.0
CA B:HIS500 4.7 59.8 1.0
CG B:LEU497 4.8 60.3 1.0
CG B:MET505 4.8 58.6 1.0
N B:LEU497 4.9 59.9 1.0
C B:HIS438 4.9 55.8 1.0

Copper binding site 5 out of 10 in 8r4f

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Copper binding site 5 out of 10 in the Crystal Structure of the Native Copper Efflux Oxidase (Cueo) From Hafnia Alvei


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 5 of Crystal Structure of the Native Copper Efflux Oxidase (Cueo) From Hafnia Alvei within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cu601

b:84.2
occ:1.00
ND1 C:HIS76 1.9 66.5 1.0
NE2 C:HIS114 2.1 72.8 1.0
NE2 C:HIS496 2.2 73.5 1.0
CE1 C:HIS76 2.8 67.0 1.0
CE1 C:HIS114 3.0 73.0 1.0
CG C:HIS76 3.1 64.8 1.0
CD2 C:HIS496 3.1 72.3 1.0
CD2 C:HIS114 3.2 71.7 1.0
CE1 C:HIS496 3.2 73.5 1.0
CB C:HIS76 3.6 63.2 1.0
CD2 C:HIS74 3.6 67.7 1.0
CZ2 C:TRP112 3.9 67.4 1.0
NE2 C:HIS76 3.9 66.8 1.0
CD2 C:HIS441 4.0 62.5 1.0
NE2 C:HIS74 4.1 68.5 1.0
CD2 C:HIS76 4.1 65.7 1.0
NE2 C:HIS441 4.1 63.1 1.0
ND1 C:HIS114 4.1 72.5 1.0
CG C:HIS114 4.2 70.6 1.0
CG C:HIS496 4.2 70.5 1.0
CE2 C:TRP112 4.3 67.0 1.0
NE1 C:TRP112 4.3 67.4 1.0
ND1 C:HIS496 4.3 72.6 1.0
CG C:HIS441 4.6 61.5 1.0
CE1 C:HIS441 4.7 63.2 1.0
CA C:HIS76 4.7 63.0 1.0
CH2 C:TRP112 4.7 67.3 1.0
CG C:HIS74 4.9 66.8 1.0
ND1 C:HIS441 4.9 62.9 1.0
CE1 C:HIS494 5.0 75.3 1.0

Copper binding site 6 out of 10 in 8r4f

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Copper binding site 6 out of 10 in the Crystal Structure of the Native Copper Efflux Oxidase (Cueo) From Hafnia Alvei


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 6 of Crystal Structure of the Native Copper Efflux Oxidase (Cueo) From Hafnia Alvei within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cu602

b:65.9
occ:1.00
ND1 C:HIS500 1.9 63.5 1.0
ND1 C:HIS438 1.9 62.2 1.0
SG C:CYS495 2.0 65.4 1.0
CE1 C:HIS438 2.8 62.3 1.0
CG C:HIS500 2.9 61.8 1.0
CE1 C:HIS500 3.0 64.0 1.0
CG C:HIS438 3.1 60.7 1.0
CB C:CYS495 3.1 64.7 1.0
CB C:HIS500 3.2 60.3 1.0
SD C:MET505 3.5 55.6 1.0
CB C:HIS438 3.6 59.8 1.0
CE C:MET505 3.7 51.3 1.0
O C:LEU437 3.7 60.2 1.0
CA C:HIS438 3.8 59.8 1.0
CB C:LEU497 4.0 61.6 1.0
NE2 C:HIS438 4.0 62.1 1.0
CD2 C:HIS500 4.1 62.9 1.0
NE2 C:HIS500 4.1 64.0 1.0
CD2 C:HIS438 4.1 61.2 1.0
C C:LEU437 4.5 60.3 1.0
CA C:CYS495 4.5 64.7 1.0
N C:HIS438 4.5 59.8 1.0
CD1 C:LEU497 4.6 61.8 1.0
O C:LEU497 4.7 62.7 1.0
CA C:HIS500 4.8 60.1 1.0
CG C:LEU497 4.8 61.9 1.0
N C:LEU497 4.9 62.7 1.0
C C:HIS438 4.9 60.3 1.0

Copper binding site 7 out of 10 in 8r4f

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Copper binding site 7 out of 10 in the Crystal Structure of the Native Copper Efflux Oxidase (Cueo) From Hafnia Alvei


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 7 of Crystal Structure of the Native Copper Efflux Oxidase (Cueo) From Hafnia Alvei within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cu601

b:79.4
occ:1.00
NE2 D:HIS114 1.9 94.9 1.0
ND1 D:HIS76 2.1 78.7 1.0
NE2 D:HIS496 2.2 68.5 1.0
CE1 D:HIS114 2.7 94.9 1.0
CD2 D:HIS114 2.9 93.7 1.0
CE1 D:HIS76 3.0 79.3 1.0
CE1 D:HIS496 3.1 68.5 1.0
CG D:HIS76 3.2 76.9 1.0
CD2 D:HIS496 3.2 67.5 1.0
CB D:HIS76 3.6 75.8 1.0
CD2 D:HIS74 3.6 81.2 1.0
CZ2 D:TRP112 3.8 92.3 1.0
ND1 D:HIS114 3.9 94.2 1.0
CG D:HIS114 3.9 92.1 1.0
CE2 D:TRP112 4.2 91.7 1.0
NE2 D:HIS76 4.2 79.1 1.0
NE2 D:HIS74 4.2 82.1 1.0
CD2 D:HIS76 4.3 77.9 1.0
NE1 D:TRP112 4.3 91.9 1.0
CD2 D:HIS441 4.3 72.8 1.0
ND1 D:HIS496 4.3 68.2 1.0
CG D:HIS496 4.3 66.7 1.0
NE2 D:HIS441 4.4 73.6 1.0
CH2 D:TRP112 4.5 92.5 1.0
CA D:HIS76 4.8 75.9 1.0
CG D:HIS74 4.9 80.2 1.0
CG D:HIS441 4.9 71.8 1.0

Copper binding site 8 out of 10 in 8r4f

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Copper binding site 8 out of 10 in the Crystal Structure of the Native Copper Efflux Oxidase (Cueo) From Hafnia Alvei


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 8 of Crystal Structure of the Native Copper Efflux Oxidase (Cueo) From Hafnia Alvei within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cu602

b:65.6
occ:1.00
SG D:CYS495 1.8 65.4 1.0
ND1 D:HIS438 2.0 70.7 1.0
ND1 D:HIS500 2.2 66.5 1.0
CB D:CYS495 2.9 64.8 1.0
CE1 D:HIS438 3.0 71.0 1.0
CG D:HIS500 3.0 64.6 1.0
CG D:HIS438 3.1 69.5 1.0
CB D:HIS500 3.2 63.1 1.0
CE1 D:HIS500 3.2 66.9 1.0
SD D:MET505 3.5 61.0 1.0
CB D:HIS438 3.5 68.8 1.0
CA D:HIS438 3.7 68.8 1.0
O D:LEU437 3.8 68.6 1.0
CB D:LEU497 3.9 63.0 1.0
NE2 D:HIS438 4.2 71.1 1.0
CD2 D:HIS500 4.2 65.5 1.0
CD2 D:HIS438 4.2 70.1 1.0
NE2 D:HIS500 4.3 66.7 1.0
CA D:CYS495 4.3 65.0 1.0
CE D:MET505 4.4 58.9 1.0
C D:LEU437 4.5 68.7 1.0
N D:HIS438 4.6 68.4 1.0
O D:LEU497 4.6 64.5 1.0
CD1 D:LEU497 4.7 64.2 1.0
N D:LEU497 4.7 63.7 1.0
CA D:HIS500 4.7 62.9 1.0
CG D:LEU497 4.8 64.0 1.0
C D:HIS438 4.8 69.7 1.0
C D:CYS495 4.9 65.1 1.0
CA D:LEU497 4.9 63.5 1.0
CG D:MET505 4.9 62.7 1.0
CD D:PRO439 4.9 69.6 1.0

Copper binding site 9 out of 10 in 8r4f

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Copper binding site 9 out of 10 in the Crystal Structure of the Native Copper Efflux Oxidase (Cueo) From Hafnia Alvei


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 9 of Crystal Structure of the Native Copper Efflux Oxidase (Cueo) From Hafnia Alvei within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cu601

b:93.8
occ:1.00
ND1 E:HIS76 1.9 84.0 1.0
NE2 E:HIS114 2.0 85.2 1.0
NE2 E:HIS496 2.3 78.6 1.0
CE1 E:HIS76 2.8 84.5 1.0
CE1 E:HIS114 2.9 85.2 1.0
CG E:HIS76 3.0 82.2 1.0
CD2 E:HIS114 3.0 84.5 1.0
CD2 E:HIS496 3.3 77.3 1.0
CE1 E:HIS496 3.3 78.7 1.0
CB E:HIS76 3.4 80.2 1.0
CD2 E:HIS74 3.6 89.1 1.0
CZ2 E:TRP112 3.8 91.2 1.0
NE2 E:HIS76 4.0 84.4 1.0
ND1 E:HIS114 4.0 85.0 1.0
NE2 E:HIS74 4.0 89.8 1.0
CD2 E:HIS76 4.0 83.3 1.0
CG E:HIS114 4.1 83.9 1.0
CD2 E:HIS441 4.1 61.9 1.0
CE2 E:TRP112 4.1 90.6 1.0
NE1 E:TRP112 4.2 90.9 1.0
NE2 E:HIS441 4.2 62.8 1.0
CG E:HIS496 4.4 75.9 1.0
ND1 E:HIS496 4.4 78.1 1.0
CA E:HIS76 4.6 79.5 1.0
CH2 E:TRP112 4.6 91.3 1.0
CG E:HIS441 4.7 61.0 1.0
CG E:HIS74 4.8 88.1 1.0
CE1 E:HIS441 4.9 62.9 1.0

Copper binding site 10 out of 10 in 8r4f

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Copper binding site 10 out of 10 in the Crystal Structure of the Native Copper Efflux Oxidase (Cueo) From Hafnia Alvei


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 10 of Crystal Structure of the Native Copper Efflux Oxidase (Cueo) From Hafnia Alvei within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cu602

b:69.6
occ:1.00
ND1 E:HIS438 1.8 62.6 1.0
SG E:CYS495 2.0 67.1 1.0
ND1 E:HIS500 2.0 63.4 1.0
CE1 E:HIS438 2.8 62.7 1.0
CG E:HIS438 3.0 61.0 1.0
CG E:HIS500 3.0 62.0 1.0
CE1 E:HIS500 3.0 63.9 1.0
CB E:CYS495 3.1 66.9 1.0
CB E:HIS500 3.3 61.4 1.0
CB E:HIS438 3.4 60.1 1.0
SD E:MET505 3.5 58.4 1.0
O E:LEU437 3.6 61.6 1.0
CA E:HIS438 3.6 60.4 1.0
CB E:LEU497 3.9 67.5 1.0
NE2 E:HIS438 3.9 62.4 1.0
CD2 E:HIS438 4.0 61.6 1.0
NE2 E:HIS500 4.1 63.8 1.0
CD2 E:HIS500 4.1 62.9 1.0
C E:LEU437 4.3 61.7 1.0
N E:HIS438 4.4 60.9 1.0
CE E:MET505 4.5 56.5 1.0
CA E:CYS495 4.5 67.0 1.0
CG E:LEU497 4.7 67.7 1.0
O E:LEU497 4.8 67.7 1.0
C E:HIS438 4.8 60.7 1.0
CD1 E:LEU497 4.8 67.8 1.0
CA E:HIS500 4.8 61.5 1.0
N E:LEU497 4.9 68.8 1.0
CD2 E:LEU497 4.9 68.0 1.0
CG E:MET505 4.9 57.0 1.0
CD E:PRO439 4.9 59.6 1.0
CA E:LEU497 5.0 68.1 1.0

Reference:

P.Leone, U.Contaldo. Crystal Structure of the Native Copper Efflux Oxidase (Cueo) From Hafnia Alvei To Be Published.
Page generated: Mon Jul 14 09:17:24 2025

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