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Copper in PDB 9iyk: Crystal Structure of HSOD1 in C121 Space Group

Enzymatic activity of Crystal Structure of HSOD1 in C121 Space Group

All present enzymatic activity of Crystal Structure of HSOD1 in C121 Space Group:
1.15.1.1;

Protein crystallography data

The structure of Crystal Structure of HSOD1 in C121 Space Group, PDB code: 9iyk was solved by I.Yapici, H.Demirci, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 48.92 / 2.34
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 178.19, 138.25, 112.93, 90, 129.2, 90
R / Rfree (%) 19.8 / 26.3

Other elements in 9iyk:

The structure of Crystal Structure of HSOD1 in C121 Space Group also contains other interesting chemical elements:

Zinc (Zn) 13 atoms

Copper Binding Sites:

Pages:

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

Binding sites:

The binding sites of Copper atom in the Crystal Structure of HSOD1 in C121 Space Group (pdb code 9iyk). This binding sites where shown within 5.0 Angstroms radius around Copper atom.
In total 12 binding sites of Copper where determined in the Crystal Structure of HSOD1 in C121 Space Group, PDB code: 9iyk:
Jump to Copper binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Copper binding site 1 out of 12 in 9iyk

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Copper binding site 1 out of 12 in the Crystal Structure of HSOD1 in C121 Space Group


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 HSOD1 in C121 Space Group within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cu201

b:42.5
occ:1.00
NE2 A:HIS120 1.8 34.0 1.0
NE2 A:HIS48 2.1 45.5 1.0
ND1 A:HIS46 2.3 47.6 1.0
CE1 A:HIS120 2.6 33.5 1.0
CE1 A:HIS46 2.9 40.8 1.0
CD2 A:HIS120 3.0 34.7 1.0
CE1 A:HIS48 3.0 33.3 1.0
NE2 A:HIS63 3.0 41.8 1.0
CG A:HIS46 3.1 42.0 1.0
CD2 A:HIS48 3.1 37.8 1.0
CD2 A:HIS63 3.2 46.8 1.0
CB A:HIS46 3.6 46.7 1.0
ND1 A:HIS120 3.8 33.8 1.0
NE2 A:HIS46 3.8 37.3 1.0
CD2 A:HIS46 3.9 46.4 1.0
CG A:HIS120 4.0 35.7 1.0
CB A:VAL118 4.0 38.5 1.0
ND1 A:HIS48 4.1 39.3 1.0
CE1 A:HIS63 4.1 42.4 1.0
N A:HIS46 4.2 48.7 1.0
CG A:HIS48 4.2 35.2 1.0
O A:HOH344 4.3 33.6 1.0
CG A:HIS63 4.3 42.2 1.0
CA A:HIS46 4.3 43.9 1.0
CG1 A:VAL118 4.3 36.0 1.0
O A:VAL118 4.5 37.9 1.0
O A:HIS46 4.5 42.5 1.0
C A:HIS46 4.6 45.0 1.0
ND1 A:HIS63 4.8 33.2 1.0
CG2 A:VAL118 4.8 40.7 1.0
C A:VAL118 4.9 46.9 1.0
C A:PHE45 5.0 51.2 1.0

Copper binding site 2 out of 12 in 9iyk

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Copper binding site 2 out of 12 in the Crystal Structure of HSOD1 in C121 Space Group


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 HSOD1 in C121 Space Group within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cu202

b:43.5
occ:1.00
NE2 C:HIS48 1.9 42.7 1.0
NE2 C:HIS120 2.0 28.0 1.0
ND1 C:HIS46 2.1 42.7 1.0
CE1 C:HIS48 2.9 35.2 1.0
CD2 C:HIS120 2.9 34.4 1.0
CE1 C:HIS120 3.0 43.0 1.0
CG C:HIS46 3.0 29.7 1.0
CD2 C:HIS48 3.0 37.2 1.0
NE2 C:HIS63 3.0 38.8 1.0
CE1 C:HIS46 3.1 42.8 1.0
CB C:HIS46 3.2 28.2 1.0
CD2 C:HIS63 3.2 30.9 1.0
O C:HOH307 3.4 39.9 1.0
CG1 C:VAL118 3.8 39.5 1.0
CB C:VAL118 3.8 35.5 1.0
ND1 C:HIS48 4.0 36.9 1.0
ND1 C:HIS120 4.0 41.8 1.0
CG C:HIS120 4.0 41.8 1.0
CG C:HIS48 4.1 39.5 1.0
N C:HIS46 4.1 29.7 1.0
CD2 C:HIS46 4.1 39.1 1.0
O C:HOH326 4.2 30.7 1.0
CA C:HIS46 4.2 33.8 1.0
NE2 C:HIS46 4.2 38.1 1.0
CE1 C:HIS63 4.2 30.4 1.0
O C:VAL118 4.4 42.4 1.0
CG C:HIS63 4.5 23.2 1.0
O C:HIS46 4.5 36.5 1.0
C C:HIS46 4.6 38.6 1.0
CG2 C:VAL118 4.7 34.5 1.0
C C:VAL118 4.8 41.0 1.0
CA C:VAL118 4.9 32.3 1.0
C C:PHE45 4.9 43.0 1.0
ND1 C:HIS63 5.0 35.1 1.0

Copper binding site 3 out of 12 in 9iyk

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Copper binding site 3 out of 12 in the Crystal Structure of HSOD1 in C121 Space Group


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 HSOD1 in C121 Space Group within 5.0Å range:
probe atom residue distance (Å) B Occ
K:Cu201

b:45.8
occ:1.00
NE2 K:HIS120 1.9 33.1 1.0
NE2 K:HIS48 2.0 52.2 1.0
ND1 K:HIS46 2.1 51.4 1.0
CE1 K:HIS48 2.8 33.5 1.0
CE1 K:HIS120 2.8 34.3 1.0
CG K:HIS46 2.9 36.8 1.0
NE2 K:HIS63 2.9 40.6 1.0
CD2 K:HIS120 3.0 38.9 1.0
CB K:HIS46 3.1 44.6 1.0
CE1 K:HIS46 3.1 38.2 1.0
CD2 K:HIS48 3.2 42.9 1.0
CD2 K:HIS63 3.3 44.5 1.0
ND1 K:HIS120 3.9 43.8 1.0
ND1 K:HIS48 4.0 49.8 1.0
CE1 K:HIS63 4.0 50.1 1.0
O K:HOH321 4.0 37.3 1.0
CB K:VAL118 4.0 44.0 1.0
CG K:HIS120 4.0 37.4 1.0
CD2 K:HIS46 4.1 41.6 1.0
CG K:HIS48 4.2 43.7 1.0
NE2 K:HIS46 4.2 48.6 1.0
CG1 K:VAL118 4.2 43.1 1.0
CA K:HIS46 4.2 36.2 1.0
N K:HIS46 4.3 36.4 1.0
CG K:HIS63 4.4 43.4 1.0
ND1 K:HIS63 4.7 51.0 1.0
O K:VAL118 4.7 47.0 1.0
O K:HIS46 4.7 44.1 1.0
C K:HIS46 4.7 50.8 1.0
CG2 K:VAL118 4.8 38.6 1.0

Copper binding site 4 out of 12 in 9iyk

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Copper binding site 4 out of 12 in the Crystal Structure of HSOD1 in C121 Space Group


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 HSOD1 in C121 Space Group within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Cu201

b:56.0
occ:1.00
NE2 F:HIS48 2.1 62.0 1.0
ND1 F:HIS46 2.2 58.3 1.0
NE2 F:HIS120 2.2 49.3 1.0
NE2 F:HIS63 2.9 59.1 1.0
CE1 F:HIS48 2.9 56.2 1.0
CG F:HIS46 2.9 55.5 1.0
CD2 F:HIS120 3.0 60.5 1.0
CB F:HIS46 3.1 55.1 1.0
CD2 F:HIS48 3.1 60.8 1.0
CD2 F:HIS63 3.1 59.2 1.0
CE1 F:HIS46 3.2 61.6 1.0
CE1 F:HIS120 3.2 50.6 1.0
CE1 F:HIS63 3.9 60.4 1.0
ND1 F:HIS48 4.0 56.4 1.0
CB F:VAL118 4.0 48.5 1.0
CA F:HIS46 4.1 53.8 1.0
CD2 F:HIS46 4.1 64.2 1.0
CG1 F:VAL118 4.1 58.0 1.0
CG F:HIS48 4.1 60.1 1.0
N F:HIS46 4.2 52.8 1.0
CG F:HIS120 4.2 55.9 1.0
NE2 F:HIS46 4.2 62.0 1.0
ND1 F:HIS120 4.2 49.9 1.0
CG F:HIS63 4.3 60.7 1.0
O F:HOH319 4.4 33.2 0.5
O F:HIS46 4.4 52.4 1.0
C F:HIS46 4.5 59.4 1.0
ND1 F:HIS63 4.6 61.4 1.0
O F:VAL118 4.7 57.6 1.0
CG2 F:VAL118 4.7 48.8 1.0

Copper binding site 5 out of 12 in 9iyk

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Copper binding site 5 out of 12 in the Crystal Structure of HSOD1 in C121 Space Group


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 HSOD1 in C121 Space Group within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cu201

b:52.9
occ:1.00
NE2 E:HIS48 1.9 50.3 1.0
ND1 E:HIS46 2.0 49.4 1.0
NE2 E:HIS120 2.0 44.4 1.0
CE1 E:HIS120 2.8 46.1 1.0
NE2 E:HIS63 2.9 47.9 1.0
CE1 E:HIS46 2.9 43.4 1.0
CE1 E:HIS48 2.9 45.1 1.0
CD2 E:HIS48 2.9 53.9 1.0
CG E:HIS46 3.0 48.5 1.0
CD2 E:HIS120 3.1 52.0 1.0
CD2 E:HIS63 3.2 52.4 1.0
CB E:HIS46 3.4 43.3 1.0
CE1 E:HIS63 3.9 45.6 1.0
ND1 E:HIS120 4.0 46.1 1.0
NE2 E:HIS46 4.0 44.8 1.0
ND1 E:HIS48 4.0 46.2 1.0
CG E:HIS48 4.1 52.6 1.0
CB E:VAL118 4.1 45.9 1.0
CD2 E:HIS46 4.1 44.8 1.0
CG E:HIS120 4.1 51.5 1.0
CG1 E:VAL118 4.2 46.8 1.0
N E:HIS46 4.2 36.8 1.0
O E:HOH317 4.2 48.6 1.0
CA E:HIS46 4.3 37.7 1.0
CG E:HIS63 4.4 43.6 1.0
O E:HIS46 4.4 43.2 1.0
C E:HIS46 4.6 38.8 1.0
O E:VAL118 4.6 52.8 1.0
ND1 E:HIS63 4.7 43.3 1.0
CG2 E:VAL118 4.9 47.7 1.0
C E:VAL118 5.0 52.6 1.0

Copper binding site 6 out of 12 in 9iyk

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Copper binding site 6 out of 12 in the Crystal Structure of HSOD1 in C121 Space Group


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 HSOD1 in C121 Space Group within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cu201

b:85.1
occ:1.00
ND1 D:HIS46 1.9 99.3 1.0
NE2 D:HIS48 2.2 87.5 1.0
CG D:HIS46 2.3 93.0 1.0
NE2 D:HIS120 2.5 79.4 1.0
NE2 D:HIS63 2.6 89.7 1.0
CE1 D:HIS120 2.6 84.5 1.0
CE1 D:HIS46 2.7 87.1 1.0
CB D:HIS46 2.8 86.8 1.0
CE1 D:HIS48 2.8 88.5 1.0
CD2 D:HIS63 2.9 89.8 1.0
CD2 D:HIS46 3.2 87.5 1.0
CD2 D:HIS48 3.3 87.2 1.0
NE2 D:HIS46 3.3 88.4 1.0
CE1 D:HIS63 3.4 90.0 1.0
CD2 D:HIS120 3.5 78.0 1.0
ND1 D:HIS120 3.6 90.6 1.0
CG D:HIS63 3.8 90.2 1.0
ND1 D:HIS48 3.9 88.8 1.0
CA D:HIS46 3.9 85.7 1.0
ND1 D:HIS63 4.0 90.5 1.0
N D:HIS46 4.1 85.1 1.0
CG D:HIS120 4.1 85.2 1.0
CG D:HIS48 4.2 91.6 1.0
C D:HIS46 4.5 85.5 1.0
CB D:VAL118 4.5 74.0 1.0
O D:HIS46 4.5 85.1 1.0
O D:HOH318 4.7 63.0 1.0
O D:VAL118 4.9 71.4 1.0
CB D:HIS63 4.9 91.3 1.0
CG1 D:VAL118 5.0 75.0 1.0

Copper binding site 7 out of 12 in 9iyk

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Copper binding site 7 out of 12 in the Crystal Structure of HSOD1 in C121 Space Group


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 HSOD1 in C121 Space Group within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cu201

b:50.5
occ:1.00
NE2 B:HIS120 1.9 46.3 1.0
ND1 B:HIS46 2.1 52.1 1.0
NE2 B:HIS48 2.1 61.3 1.0
CE1 B:HIS120 2.8 47.2 1.0
CD2 B:HIS120 2.9 47.8 1.0
CE1 B:HIS46 3.0 59.2 1.0
CE1 B:HIS48 3.0 45.5 1.0
CG B:HIS46 3.0 46.0 1.0
CD2 B:HIS48 3.1 54.3 1.0
NE2 B:HIS63 3.1 53.8 1.0
CB B:HIS46 3.4 48.1 1.0
CD2 B:HIS63 3.4 55.1 1.0
CB B:VAL118 3.9 43.6 1.0
CG1 B:VAL118 3.9 45.8 1.0
ND1 B:HIS120 3.9 47.5 1.0
CG B:HIS120 4.0 52.6 1.0
NE2 B:HIS46 4.1 54.0 1.0
ND1 B:HIS48 4.1 60.9 1.0
CD2 B:HIS46 4.1 55.4 1.0
CG B:HIS48 4.2 54.3 1.0
N B:HIS46 4.2 46.1 1.0
CA B:HIS46 4.3 41.4 1.0
CE1 B:HIS63 4.3 47.6 1.0
O B:HOH323 4.4 51.0 1.0
O B:HIS46 4.6 46.2 1.0
CG B:HIS63 4.7 56.7 1.0
C B:HIS46 4.7 44.4 1.0
O B:VAL118 4.7 49.5 1.0
CG2 B:VAL118 4.7 47.4 1.0
C B:VAL118 4.9 47.1 1.0
CA B:VAL118 5.0 44.3 1.0

Copper binding site 8 out of 12 in 9iyk

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Copper binding site 8 out of 12 in the Crystal Structure of HSOD1 in C121 Space Group


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 HSOD1 in C121 Space Group within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Cu201

b:60.8
occ:1.00
ND1 G:HIS46 2.0 56.4 1.0
NE2 G:HIS120 2.0 55.9 1.0
NE2 G:HIS48 2.1 76.2 1.0
CG G:HIS46 2.7 57.2 1.0
CB G:HIS46 2.7 55.4 1.0
CD2 G:HIS120 2.9 63.6 1.0
CE1 G:HIS48 2.9 61.0 1.0
NE2 G:HIS63 3.0 61.5 1.0
CE1 G:HIS120 3.1 57.0 1.0
CD2 G:HIS48 3.1 62.6 1.0
CE1 G:HIS46 3.2 62.1 1.0
CD2 G:HIS63 3.3 60.6 1.0
O G:HOH305 3.4 65.5 1.0
CE1 G:HIS63 3.9 60.6 1.0
CD2 G:HIS46 3.9 57.9 1.0
CA G:HIS46 3.9 55.6 1.0
CG G:HIS120 4.0 65.0 1.0
ND1 G:HIS48 4.1 58.7 1.0
ND1 G:HIS120 4.1 56.7 1.0
NE2 G:HIS46 4.2 68.9 1.0
N G:HIS46 4.2 51.2 1.0
CG G:HIS48 4.2 64.7 1.0
CB G:VAL118 4.2 57.8 1.0
CG G:HIS63 4.3 63.3 1.0
CG1 G:VAL118 4.4 54.3 1.0
C G:HIS46 4.5 59.5 1.0
O G:VAL118 4.5 59.8 1.0
ND1 G:HIS63 4.6 65.3 1.0
O G:HIS46 4.6 59.2 1.0

Copper binding site 9 out of 12 in 9iyk

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Copper binding site 9 out of 12 in the Crystal Structure of HSOD1 in C121 Space Group


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 HSOD1 in C121 Space Group within 5.0Å range:
probe atom residue distance (Å) B Occ
I:Cu201

b:56.9
occ:1.00
ND1 I:HIS46 2.0 67.3 1.0
NE2 I:HIS120 2.0 60.9 1.0
NE2 I:HIS48 2.1 68.8 1.0
CG I:HIS46 2.9 66.5 1.0
CD2 I:HIS120 2.9 63.2 1.0
CE1 I:HIS48 3.0 66.7 1.0
CE1 I:HIS46 3.0 68.7 1.0
CE1 I:HIS120 3.0 61.2 1.0
NE2 I:HIS63 3.1 67.8 1.0
CD2 I:HIS48 3.1 65.0 1.0
CB I:HIS46 3.1 65.2 1.0
O I:HOH309 3.4 56.8 1.0
CD2 I:HIS63 3.5 66.9 1.0
CG1 I:VAL118 3.7 61.6 1.0
CB I:VAL118 4.0 66.3 1.0
CD2 I:HIS46 4.0 67.3 1.0
CE1 I:HIS63 4.0 68.0 1.0
NE2 I:HIS46 4.1 68.7 1.0
CG I:HIS120 4.1 67.7 1.0
ND1 I:HIS120 4.1 76.1 1.0
ND1 I:HIS48 4.1 66.3 1.0
CA I:HIS46 4.2 65.0 1.0
CG I:HIS48 4.2 65.2 1.0
N I:HIS46 4.2 65.8 1.0
CG I:HIS63 4.5 68.0 1.0
O I:VAL118 4.5 62.1 1.0
O I:HIS46 4.7 64.2 1.0
C I:HIS46 4.7 75.3 1.0
ND1 I:HIS63 4.8 67.2 1.0
C I:VAL118 4.9 62.2 1.0

Copper binding site 10 out of 12 in 9iyk

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Copper binding site 10 out of 12 in the Crystal Structure of HSOD1 in C121 Space Group


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 HSOD1 in C121 Space Group within 5.0Å range:
probe atom residue distance (Å) B Occ
L:Cu201

b:46.1
occ:1.00
NE2 L:HIS48 2.0 50.9 1.0
NE2 L:HIS120 2.0 47.8 1.0
ND1 L:HIS46 2.1 50.2 1.0
CG L:HIS46 2.8 50.0 1.0
CE1 L:HIS48 2.8 41.4 1.0
CE1 L:HIS120 2.9 48.1 1.0
CE1 L:HIS46 3.0 49.9 1.0
CD2 L:HIS48 3.1 46.3 1.0
NE2 L:HIS63 3.1 56.2 1.0
CD2 L:HIS120 3.1 47.9 1.0
CB L:HIS46 3.1 51.9 1.0
CD2 L:HIS63 3.4 44.5 1.0
CD2 L:HIS46 3.9 47.5 1.0
CB L:VAL118 3.9 45.6 1.0
NE2 L:HIS46 4.0 61.0 1.0
ND1 L:HIS48 4.0 45.3 1.0
CE1 L:HIS63 4.0 53.5 1.0
CG1 L:VAL118 4.0 45.9 1.0
ND1 L:HIS120 4.1 48.2 1.0
CG L:HIS48 4.1 52.9 1.0
O L:HOH317 4.2 40.7 1.0
CG L:HIS120 4.2 48.1 1.0
CA L:HIS46 4.2 48.4 1.0
N L:HIS46 4.3 46.8 1.0
CG L:HIS63 4.4 50.8 1.0
O L:VAL118 4.6 46.9 1.0
CG2 L:VAL118 4.6 50.2 1.0
O L:HIS46 4.7 52.4 1.0
ND1 L:HIS63 4.7 62.8 1.0
C L:HIS46 4.7 44.8 1.0
CA L:VAL118 5.0 45.2 1.0

Reference:

I.Yapici, H.Demirci. The New Crystal Form of HSOD1 To Be Published.
Page generated: Mon Jul 14 09:59:39 2025

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