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Copper in PDB 1n18: Thermostable Mutant of Human Superoxide Dismutase, C6A, C111S

Enzymatic activity of Thermostable Mutant of Human Superoxide Dismutase, C6A, C111S

All present enzymatic activity of Thermostable Mutant of Human Superoxide Dismutase, C6A, C111S:
1.15.1.1;

Protein crystallography data

The structure of Thermostable Mutant of Human Superoxide Dismutase, C6A, C111S, PDB code: 1n18 was solved by R.M.F.Cardoso, M.M.Thayer, M.Didonato, T.P.Lo, C.K.Bruns, E.D.Getzoff, J.A.Tainer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.86 / 2.00
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 203.200, 165.200, 144.300, 90.00, 90.00, 90.00
R / Rfree (%) 21.8 / 25

Other elements in 1n18:

The structure of Thermostable Mutant of Human Superoxide Dismutase, C6A, C111S also contains other interesting chemical elements:

Zinc (Zn) 10 atoms

Copper Binding Sites:

The binding sites of Copper atom in the Thermostable Mutant of Human Superoxide Dismutase, C6A, C111S (pdb code 1n18). This binding sites where shown within 5.0 Angstroms radius around Copper atom.
In total 10 binding sites of Copper where determined in the Thermostable Mutant of Human Superoxide Dismutase, C6A, C111S, PDB code: 1n18:
Jump to Copper binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Copper binding site 1 out of 10 in 1n18

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Copper binding site 1 out of 10 in the Thermostable Mutant of Human Superoxide Dismutase, C6A, C111S


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 1 of Thermostable Mutant of Human Superoxide Dismutase, C6A, C111S within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cu154

b:33.4
occ:1.00
 NE2 A:HIS120 2.1 27.6 1.0
NE2 A:HIS48 2.1 28.1 1.0
ND1 A:HIS46 2.1 29.0 1.0
CD2 A:HIS120 2.9 27.8 1.0
NE2 A:HIS63 3.1 31.0 1.0
CD2 A:HIS48 3.1 24.8 1.0
CE1 A:HIS46 3.1 30.0 1.0
CE1 A:HIS48 3.1 27.5 1.0
CG A:HIS46 3.1 30.8 1.0
CE1 A:HIS120 3.2 27.9 1.0
O A:HOH281 3.4 55.5 1.0
CB A:HIS46 3.5 25.7 1.0
CD2 A:HIS63 3.5 28.4 1.0
CE1 A:HIS63 4.0 28.0 1.0
CB A:VAL118 4.1 25.5 1.0
CG A:HIS120 4.2 27.6 1.0
O A:HOH193 4.2 43.3 1.0
NE2 A:HIS46 4.2 28.0 1.0
CG1 A:VAL118 4.2 23.7 1.0
ND1 A:HIS48 4.2 28.1 1.0
ND1 A:HIS120 4.3 26.4 1.0
CG A:HIS48 4.3 27.4 1.0
CD2 A:HIS46 4.3 30.9 1.0
N A:HIS46 4.3 25.2 1.0
CA A:HIS46 4.4 25.1 1.0
CG A:HIS63 4.6 27.3 1.0
O A:VAL118 4.7 25.4 1.0
O A:HIS46 4.7 26.7 1.0
C A:HIS46 4.7 26.0 1.0
ND1 A:HIS63 4.8 28.5 1.0
CG2 A:VAL118 4.9 26.2 1.0

Copper binding site 2 out of 10 in 1n18

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Copper binding site 2 out of 10 in the Thermostable Mutant of Human Superoxide Dismutase, C6A, C111S


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 2 of Thermostable Mutant of Human Superoxide Dismutase, C6A, C111S within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cu154

b:26.8
occ:1.00
 NE2 B:HIS48 2.0 18.7 1.0
NE2 B:HIS120 2.0 20.3 1.0
ND1 B:HIS46 2.0 20.9 1.0
CE1 B:HIS48 3.0 17.9 1.0
CD2 B:HIS120 3.0 18.9 1.0
CE1 B:HIS46 3.0 19.9 1.0
CE1 B:HIS120 3.0 18.2 1.0
CG B:HIS46 3.0 18.3 1.0
CD2 B:HIS48 3.1 19.7 1.0
NE2 B:HIS63 3.2 22.1 1.0
CB B:HIS46 3.4 16.8 1.0
CD2 B:HIS63 3.5 21.0 1.0
O B:HOH211 3.7 39.0 1.0
ND1 B:HIS48 4.1 19.9 1.0
CB B:VAL118 4.1 19.3 1.0
CG B:HIS120 4.1 20.0 1.0
ND1 B:HIS120 4.1 18.9 1.0
NE2 B:HIS46 4.1 20.8 1.0
CE1 B:HIS63 4.1 19.5 1.0
CD2 B:HIS46 4.2 17.7 1.0
CG B:HIS48 4.2 19.4 1.0
N B:HIS46 4.2 16.7 1.0
CG1 B:VAL118 4.3 18.8 1.0
CA B:HIS46 4.3 18.1 1.0
O B:HIS46 4.6 18.4 1.0
CG B:HIS63 4.7 21.3 1.0
O B:VAL118 4.7 18.1 1.0
C B:HIS46 4.7 18.6 1.0
CG2 B:VAL118 4.8 17.3 1.0
ND1 B:HIS63 4.9 19.6 1.0

Copper binding site 3 out of 10 in 1n18

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Copper binding site 3 out of 10 in the Thermostable Mutant of Human Superoxide Dismutase, C6A, C111S


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 3 of Thermostable Mutant of Human Superoxide Dismutase, C6A, C111S within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cu154

b:42.3
occ:1.00
 NE2 C:HIS120 2.1 39.4 1.0
NE2 C:HIS48 2.1 29.5 1.0
ND1 C:HIS46 2.2 45.3 1.0
NE2 C:HIS63 2.7 47.0 1.0
CD2 C:HIS120 2.9 39.3 1.0
CD2 C:HIS48 3.1 28.1 1.0
CG C:HIS46 3.1 43.1 1.0
CE1 C:HIS48 3.1 29.0 1.0
CE1 C:HIS120 3.1 38.9 1.0
CD2 C:HIS63 3.2 47.0 1.0
CE1 C:HIS46 3.2 45.6 1.0
CB C:HIS46 3.4 39.2 1.0
CE1 C:HIS63 3.8 47.1 1.0
CB C:VAL118 4.1 35.9 1.0
CG C:HIS120 4.1 39.7 1.0
ND1 C:HIS120 4.2 38.8 1.0
ND1 C:HIS48 4.2 28.7 1.0
CG C:HIS48 4.2 29.5 1.0
CG1 C:VAL118 4.2 36.2 1.0
N C:HIS46 4.3 35.2 1.0
NE2 C:HIS46 4.3 44.8 1.0
CD2 C:HIS46 4.3 44.7 1.0
CA C:HIS46 4.3 35.9 1.0
CG C:HIS63 4.3 44.5 1.0
O C:VAL118 4.4 35.9 1.0
O C:HOH213 4.5 48.6 1.0
O C:HIS46 4.6 34.2 1.0
ND1 C:HIS63 4.6 44.5 1.0
C C:HIS46 4.6 35.4 1.0
CG2 C:VAL118 4.9 35.1 1.0
C C:VAL118 4.9 37.1 1.0

Copper binding site 4 out of 10 in 1n18

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Copper binding site 4 out of 10 in the Thermostable Mutant of Human Superoxide Dismutase, C6A, C111S


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 4 of Thermostable Mutant of Human Superoxide Dismutase, C6A, C111S within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cu154

b:28.4
occ:1.00
 NE2 D:HIS120 2.0 19.8 1.0
NE2 D:HIS48 2.0 21.5 1.0
ND1 D:HIS46 2.1 19.4 1.0
CE1 D:HIS48 2.9 21.2 1.0
CD2 D:HIS120 3.0 19.7 1.0
CE1 D:HIS120 3.0 20.4 1.0
CG D:HIS46 3.1 19.2 1.0
CD2 D:HIS48 3.1 19.9 1.0
NE2 D:HIS63 3.1 27.1 1.0
CE1 D:HIS46 3.1 19.4 1.0
O D:HOH1419 3.3 29.7 1.0
CB D:HIS46 3.3 19.4 1.0
CD2 D:HIS63 3.5 25.1 1.0
ND1 D:HIS48 4.1 21.9 1.0
CG D:HIS120 4.1 21.3 1.0
ND1 D:HIS120 4.1 20.2 1.0
CE1 D:HIS63 4.1 23.9 1.0
CG D:HIS48 4.2 23.0 1.0
CB D:VAL118 4.2 20.0 1.0
CD2 D:HIS46 4.2 19.8 1.0
NE2 D:HIS46 4.2 20.2 1.0
N D:HIS46 4.3 19.3 1.0
CA D:HIS46 4.3 19.5 1.0
CG1 D:VAL118 4.3 20.9 1.0
CG D:HIS63 4.6 24.4 1.0
O D:HIS46 4.7 20.2 1.0
C D:HIS46 4.7 18.6 1.0
O D:VAL118 4.7 19.8 1.0
ND1 D:HIS63 4.9 23.1 1.0
CG2 D:VAL118 4.9 22.6 1.0

Copper binding site 5 out of 10 in 1n18

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Copper binding site 5 out of 10 in the Thermostable Mutant of Human Superoxide Dismutase, C6A, C111S


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 5 of Thermostable Mutant of Human Superoxide Dismutase, C6A, C111S within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cu154

b:26.9
occ:1.00
 NE2 E:HIS120 2.0 21.8 1.0
NE2 E:HIS48 2.1 19.1 1.0
ND1 E:HIS46 2.1 23.4 1.0
CE1 E:HIS120 2.9 19.2 1.0
CD2 E:HIS120 3.0 20.8 1.0
CD2 E:HIS48 3.0 18.7 1.0
CG E:HIS46 3.1 22.6 1.0
NE2 E:HIS63 3.1 23.1 1.0
CE1 E:HIS48 3.1 22.6 1.0
CE1 E:HIS46 3.1 23.9 1.0
CB E:HIS46 3.4 19.4 1.0
O E:HOH262 3.5 47.6 1.0
CD2 E:HIS63 3.6 21.3 1.0
O E:HOH195 3.6 35.2 1.0
CE1 E:HIS63 4.0 18.5 1.0
ND1 E:HIS120 4.0 21.2 1.0
CG E:HIS120 4.1 20.2 1.0
CB E:VAL118 4.1 20.8 1.0
CG E:HIS48 4.2 20.6 1.0
ND1 E:HIS48 4.2 20.3 1.0
N E:HIS46 4.2 20.1 1.0
CG1 E:VAL118 4.2 21.4 1.0
NE2 E:HIS46 4.2 23.6 1.0
CD2 E:HIS46 4.2 23.1 1.0
CA E:HIS46 4.3 19.1 1.0
O E:VAL118 4.6 19.7 1.0
CG E:HIS63 4.6 22.1 1.0
O E:HIS46 4.7 18.4 1.0
C E:HIS46 4.7 18.6 1.0
ND1 E:HIS63 4.8 22.9 1.0
CG2 E:VAL118 4.9 18.9 1.0

Copper binding site 6 out of 10 in 1n18

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Copper binding site 6 out of 10 in the Thermostable Mutant of Human Superoxide Dismutase, C6A, C111S


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 6 of Thermostable Mutant of Human Superoxide Dismutase, C6A, C111S within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Cu154

b:26.4
occ:1.00
 NE2 F:HIS120 2.0 18.9 1.0
NE2 F:HIS48 2.0 17.1 1.0
ND1 F:HIS46 2.2 22.0 1.0
CE1 F:HIS48 3.0 16.6 1.0
CD2 F:HIS120 3.0 19.1 1.0
NE2 F:HIS63 3.0 26.2 1.0
CE1 F:HIS120 3.0 18.5 1.0
CD2 F:HIS48 3.0 16.2 1.0
CG F:HIS46 3.1 20.2 1.0
CE1 F:HIS46 3.2 21.5 1.0
CB F:HIS46 3.3 18.8 1.0
CD2 F:HIS63 3.5 23.9 1.0
O F:HOH169 3.6 27.5 1.0
CE1 F:HIS63 3.9 20.1 1.0
ND1 F:HIS48 4.1 18.1 1.0
ND1 F:HIS120 4.1 18.4 1.0
CG F:HIS120 4.1 18.9 1.0
CB F:VAL118 4.1 18.4 1.0
CG F:HIS48 4.2 18.2 1.0
CD2 F:HIS46 4.2 20.1 1.0
NE2 F:HIS46 4.3 19.4 1.0
CG1 F:VAL118 4.3 16.9 1.0
N F:HIS46 4.3 18.5 1.0
CA F:HIS46 4.3 18.5 1.0
CG F:HIS63 4.6 21.8 1.0
O F:VAL118 4.7 18.9 1.0
C F:HIS46 4.7 19.5 1.0
O F:HIS46 4.7 18.3 1.0
ND1 F:HIS63 4.8 21.4 1.0
CG2 F:VAL118 4.9 18.3 1.0

Copper binding site 7 out of 10 in 1n18

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Copper binding site 7 out of 10 in the Thermostable Mutant of Human Superoxide Dismutase, C6A, C111S


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 7 of Thermostable Mutant of Human Superoxide Dismutase, C6A, C111S within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Cu154

b:42.0
occ:1.00
 NE2 G:HIS120 2.1 44.2 1.0
NE2 G:HIS48 2.2 35.5 1.0
ND1 G:HIS46 2.2 47.4 1.0
CD2 G:HIS120 2.9 43.8 1.0
NE2 G:HIS63 3.0 48.5 1.0
CE1 G:HIS46 3.0 47.7 1.0
CD2 G:HIS48 3.1 34.7 1.0
CG G:HIS46 3.2 45.1 1.0
CE1 G:HIS120 3.2 44.5 1.0
CE1 G:HIS48 3.2 38.1 1.0
CD2 G:HIS63 3.3 45.5 1.0
CB G:HIS46 3.6 41.4 1.0
O G:HOH242 3.9 54.1 1.0
CB G:VAL118 4.0 33.4 1.0
CE1 G:HIS63 4.1 46.3 1.0
CG1 G:VAL118 4.1 31.6 1.0
NE2 G:HIS46 4.1 48.8 1.0
CG G:HIS120 4.1 43.0 1.0
CD2 G:HIS46 4.2 46.8 1.0
ND1 G:HIS120 4.2 43.7 1.0
CG G:HIS48 4.3 36.6 1.0
ND1 G:HIS48 4.3 37.3 1.0
N G:HIS46 4.4 38.5 1.0
CA G:HIS46 4.4 38.8 1.0
CG G:HIS63 4.5 43.8 1.0
O G:VAL118 4.6 34.9 1.0
C G:HIS46 4.8 38.6 1.0
O G:HIS46 4.8 35.8 1.0
ND1 G:HIS63 4.8 43.9 1.0
CG2 G:VAL118 4.8 32.1 1.0

Copper binding site 8 out of 10 in 1n18

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Copper binding site 8 out of 10 in the Thermostable Mutant of Human Superoxide Dismutase, C6A, C111S


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 8 of Thermostable Mutant of Human Superoxide Dismutase, C6A, C111S within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Cu154

b:34.2
occ:1.00
 NE2 H:HIS48 2.0 23.9 1.0
NE2 H:HIS120 2.1 26.9 1.0
ND1 H:HIS46 2.2 23.6 1.0
CE1 H:HIS48 3.0 25.2 1.0
CE1 H:HIS120 3.0 26.5 1.0
CG H:HIS46 3.0 23.3 1.0
CD2 H:HIS120 3.0 26.6 1.0
CD2 H:HIS48 3.1 23.7 1.0
NE2 H:HIS63 3.1 32.6 1.0
CE1 H:HIS46 3.2 23.5 1.0
CB H:HIS46 3.2 23.2 1.0
O H:HOH178 3.3 43.5 1.0
CD2 H:HIS63 3.5 31.3 1.0
CE1 H:HIS63 4.1 31.0 1.0
ND1 H:HIS48 4.1 26.2 1.0
ND1 H:HIS120 4.1 27.9 1.0
CG H:HIS120 4.2 28.5 1.0
CG H:HIS48 4.2 23.7 1.0
CD2 H:HIS46 4.2 24.1 1.0
CA H:HIS46 4.2 25.2 1.0
N H:HIS46 4.3 25.6 1.0
NE2 H:HIS46 4.3 25.1 1.0
CB H:VAL118 4.3 29.1 1.0
CG1 H:VAL118 4.4 26.5 1.0
CG H:HIS63 4.7 30.5 1.0
C H:HIS46 4.7 25.2 1.0
O H:HIS46 4.7 26.8 1.0
O H:VAL118 4.9 29.1 1.0
ND1 H:HIS63 4.9 31.3 1.0

Copper binding site 9 out of 10 in 1n18

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Copper binding site 9 out of 10 in the Thermostable Mutant of Human Superoxide Dismutase, C6A, C111S


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 9 of Thermostable Mutant of Human Superoxide Dismutase, C6A, C111S within 5.0Å range:
probe atom residue distance (Å) B Occ
I:Cu154

b:41.9
occ:1.00
 NE2 I:HIS120 1.9 30.2 1.0
NE2 I:HIS48 2.1 43.0 1.0
ND1 I:HIS46 2.2 35.3 1.0
CD2 I:HIS120 2.8 33.5 1.0
CE1 I:HIS120 3.0 32.6 1.0
CE1 I:HIS48 3.1 41.5 1.0
CG I:HIS46 3.1 36.0 1.0
NE2 I:HIS63 3.1 40.0 1.0
CE1 I:HIS46 3.1 35.6 1.0
CD2 I:HIS48 3.2 41.1 1.0
CB I:HIS46 3.4 34.6 1.0
CD2 I:HIS63 3.5 39.1 1.0
CG I:HIS120 4.0 31.8 1.0
ND1 I:HIS120 4.1 31.0 1.0
CE1 I:HIS63 4.1 39.3 1.0
O I:HOH234 4.1 52.3 1.0
CB I:VAL118 4.1 31.9 1.0
NE2 I:HIS46 4.2 36.4 1.0
ND1 I:HIS48 4.2 42.1 1.0
CD2 I:HIS46 4.2 36.0 1.0
N I:HIS46 4.2 33.5 1.0
CG I:HIS48 4.3 41.1 1.0
CG1 I:VAL118 4.3 30.9 1.0
CA I:HIS46 4.3 34.1 1.0
CG I:HIS63 4.6 40.1 1.0
O I:VAL118 4.6 29.9 1.0
O I:HIS46 4.7 33.3 1.0
C I:HIS46 4.7 34.8 1.0
ND1 I:HIS63 4.8 39.7 1.0
CG2 I:VAL118 4.9 32.4 1.0

Copper binding site 10 out of 10 in 1n18

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Copper binding site 10 out of 10 in the Thermostable Mutant of Human Superoxide Dismutase, C6A, C111S


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 10 of Thermostable Mutant of Human Superoxide Dismutase, C6A, C111S within 5.0Å range:
probe atom residue distance (Å) B Occ
J:Cu154

b:37.8
occ:1.00
 NE2 J:HIS120 1.9 23.3 1.0
NE2 J:HIS48 2.1 32.4 1.0
ND1 J:HIS46 2.4 34.1 1.0
CD2 J:HIS120 2.9 30.5 1.0
CE1 J:HIS120 2.9 31.2 1.0
CD2 J:HIS48 3.1 33.7 1.0
CE1 J:HIS48 3.1 31.3 1.0
NE2 J:HIS63 3.1 32.1 1.0
CG J:HIS46 3.2 31.4 1.0
CB J:HIS46 3.3 32.2 1.0
O J:HOH208 3.3 46.2 1.0
CE1 J:HIS46 3.4 34.3 1.0
CD2 J:HIS63 3.5 34.0 1.0
ND1 J:HIS120 4.0 27.0 1.0
CG J:HIS120 4.0 27.6 1.0
CE1 J:HIS63 4.1 32.4 1.0
ND1 J:HIS48 4.2 33.1 1.0
CG J:HIS48 4.2 34.5 1.0
CB J:VAL118 4.2 29.9 1.0
CA J:HIS46 4.3 29.4 1.0
N J:HIS46 4.3 28.4 1.0
CD2 J:HIS46 4.3 32.0 1.0
CG1 J:VAL118 4.4 29.7 1.0
NE2 J:HIS46 4.4 32.8 1.0
CG J:HIS63 4.6 31.5 1.0
C J:HIS46 4.7 29.5 1.0
O J:HIS46 4.7 28.5 1.0
O J:VAL118 4.7 29.5 1.0
ND1 J:HIS63 4.9 34.8 1.0
CG2 J:VAL118 5.0 30.2 1.0

Reference:

R.M.F.Cardoso, M.M.Thayer, M.Didonato, T.P.Lo, C.K.Bruns, E.D.Getzoff, J.A.Tainer. Insights Into Lou Gehrig'S Disease From the Structure and Instability of the A4V Mutant of Human Cu,Zn Superoxide Dismutase. J.Mol.Biol. V. 324 247 2002.
ISSN: ISSN 0022-2836
PubMed: 12441104
DOI: 10.1016/S0022-2836(02)01090-2
Page generated: Tue Jul 30 22:22:29 2024

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