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Zinc in PDB 2zky: Crystal Structure of Human Cu-Zn Superoxide Dismutase Mutant G93A

Enzymatic activity of Crystal Structure of Human Cu-Zn Superoxide Dismutase Mutant G93A

All present enzymatic activity of Crystal Structure of Human Cu-Zn Superoxide Dismutase Mutant G93A:
1.15.1.1;

Protein crystallography data

The structure of Crystal Structure of Human Cu-Zn Superoxide Dismutase Mutant G93A, PDB code: 2zky was solved by S.Yoshikawa, M.Kukimoto-Niino, K.Ito, M.Shirouzu, M.Urushitani, R.Takahashi, S.Yokoyama, Riken Structural Genomics/Proteomicsinitiative (Rsgi), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 49.93 / 2.40
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 165.238, 204.509, 144.819, 90.00, 90.00, 90.00
R / Rfree (%) 18.9 / 23.5

Zinc Binding Sites:

The binding sites of Zinc atom in the Crystal Structure of Human Cu-Zn Superoxide Dismutase Mutant G93A (pdb code 2zky). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 10 binding sites of Zinc where determined in the Crystal Structure of Human Cu-Zn Superoxide Dismutase Mutant G93A, PDB code: 2zky:
Jump to Zinc binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Zinc binding site 1 out of 10 in 2zky

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Zinc binding site 1 out of 10 in the Crystal Structure of Human Cu-Zn Superoxide Dismutase Mutant G93A


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Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure of Human Cu-Zn Superoxide Dismutase Mutant G93A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn601

b:33.9
occ:1.00
OD1 A:ASP83 2.0 26.1 1.0
ND1 A:HIS63 2.1 35.4 1.0
ND1 A:HIS71 2.2 46.4 1.0
ND1 A:HIS80 2.2 27.8 1.0
CG A:ASP83 2.8 32.4 1.0
OD2 A:ASP83 2.9 27.5 1.0
CE1 A:HIS71 3.0 39.6 1.0
CG A:HIS63 3.1 36.1 1.0
CG A:HIS80 3.1 32.4 1.0
CE1 A:HIS63 3.2 30.4 1.0
CE1 A:HIS80 3.2 28.5 1.0
CG A:HIS71 3.3 48.5 1.0
CB A:HIS63 3.3 26.6 1.0
CB A:HIS80 3.3 31.7 1.0
CB A:HIS71 3.7 34.6 1.0
CA A:HIS71 3.9 39.5 1.0
O A:LYS136 4.0 57.3 1.0
NE2 A:HIS71 4.2 46.4 1.0
CB A:ASP83 4.2 18.4 1.0
CD2 A:HIS63 4.2 41.0 1.0
CD2 A:HIS80 4.2 28.7 1.0
NE2 A:HIS63 4.2 39.7 1.0
NE2 A:HIS80 4.3 35.8 1.0
CD2 A:HIS71 4.3 46.7 1.0
N A:GLY72 4.6 33.5 1.0
CA A:HIS80 4.7 39.0 1.0
CA A:ASP83 4.7 26.6 1.0
N A:HIS80 4.8 37.0 1.0
C A:HIS71 4.8 32.2 1.0
CA A:HIS63 4.9 30.6 1.0
C A:LYS136 5.0 59.0 1.0
N A:HIS71 5.0 37.5 1.0

Zinc binding site 2 out of 10 in 2zky

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Zinc binding site 2 out of 10 in the Crystal Structure of Human Cu-Zn Superoxide Dismutase Mutant G93A


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Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Crystal Structure of Human Cu-Zn Superoxide Dismutase Mutant G93A within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn602

b:23.4
occ:1.00
OD1 B:ASP83 1.9 29.0 1.0
ND1 B:HIS63 2.0 21.7 1.0
ND1 B:HIS80 2.0 20.0 1.0
ND1 B:HIS71 2.0 21.0 1.0
CG B:ASP83 2.7 28.1 1.0
OD2 B:ASP83 2.8 31.0 1.0
CE1 B:HIS71 2.8 18.4 1.0
CE1 B:HIS80 2.9 20.6 1.0
CE1 B:HIS63 2.9 9.9 1.0
CG B:HIS63 3.0 25.8 1.0
CG B:HIS80 3.0 22.3 1.0
CG B:HIS71 3.1 31.0 1.0
CB B:HIS63 3.4 19.0 1.0
CB B:HIS80 3.5 9.3 1.0
CB B:HIS71 3.6 17.2 1.0
O B:LYS136 3.9 29.7 1.0
CA B:HIS71 3.9 19.3 1.0
NE2 B:HIS80 4.0 23.9 1.0
NE2 B:HIS63 4.0 17.8 1.0
NE2 B:HIS71 4.0 24.2 1.0
CD2 B:HIS80 4.0 21.0 1.0
CD2 B:HIS63 4.1 17.1 1.0
CB B:ASP83 4.1 25.2 1.0
CD2 B:HIS71 4.2 19.4 1.0
CA B:ASP83 4.7 18.1 1.0
N B:HIS80 4.7 20.7 1.0
N B:GLY72 4.7 21.5 1.0
CA B:HIS80 4.7 14.6 1.0
O B:HOH635 4.8 29.1 1.0
CD2 B:HIS46 4.8 17.8 1.0
C B:HIS71 4.9 22.0 1.0
N B:ASP83 4.9 19.8 1.0
CA B:HIS63 4.9 25.1 1.0
C B:LYS136 5.0 29.0 1.0
N B:HIS71 5.0 21.2 1.0

Zinc binding site 3 out of 10 in 2zky

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Zinc binding site 3 out of 10 in the Crystal Structure of Human Cu-Zn Superoxide Dismutase Mutant G93A


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Crystal Structure of Human Cu-Zn Superoxide Dismutase Mutant G93A within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Zn603

b:35.5
occ:1.00
ND1 C:HIS80 1.9 22.9 1.0
OD1 C:ASP83 1.9 39.2 1.0
ND1 C:HIS71 2.2 33.5 1.0
ND1 C:HIS63 2.2 49.4 1.0
CG C:ASP83 2.7 46.6 1.0
CE1 C:HIS80 2.8 28.6 1.0
CG C:HIS80 2.8 35.6 1.0
OD2 C:ASP83 2.9 38.3 1.0
CE1 C:HIS71 3.1 40.0 1.0
CG C:HIS63 3.2 39.8 1.0
CG C:HIS71 3.2 29.7 1.0
CE1 C:HIS63 3.2 36.3 1.0
CB C:HIS80 3.3 34.9 1.0
CB C:HIS63 3.4 37.2 1.0
CB C:HIS71 3.5 32.8 1.0
O C:LYS136 3.8 52.1 1.0
NE2 C:HIS80 3.8 35.8 1.0
CA C:HIS71 3.9 38.0 1.0
CD2 C:HIS80 3.9 29.1 1.0
CB C:ASP83 4.1 31.4 1.0
NE2 C:HIS71 4.2 38.0 1.0
CD2 C:HIS71 4.3 30.4 1.0
NE2 C:HIS63 4.3 46.0 1.0
CD2 C:HIS63 4.3 49.1 1.0
CA C:HIS80 4.6 39.5 1.0
CA C:ASP83 4.6 34.4 1.0
N C:HIS80 4.7 48.4 1.0
N C:GLY72 4.7 42.1 1.0
O C:HOH627 4.8 38.5 1.0
C C:LYS136 4.8 53.8 1.0
N C:ASP83 4.8 36.2 1.0
N C:HIS71 4.9 42.0 1.0
C C:HIS71 4.9 39.7 1.0
CA C:HIS63 5.0 35.6 1.0

Zinc binding site 4 out of 10 in 2zky

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Zinc binding site 4 out of 10 in the Crystal Structure of Human Cu-Zn Superoxide Dismutase Mutant G93A


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of Crystal Structure of Human Cu-Zn Superoxide Dismutase Mutant G93A within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Zn604

b:20.6
occ:1.00
OD1 D:ASP83 1.9 20.4 1.0
ND1 D:HIS63 1.9 26.3 1.0
ND1 D:HIS71 2.0 20.4 1.0
ND1 D:HIS80 2.0 27.5 1.0
CG D:ASP83 2.7 18.9 1.0
OD2 D:ASP83 2.8 17.3 1.0
CE1 D:HIS71 2.8 23.7 1.0
CE1 D:HIS63 2.9 20.1 1.0
CG D:HIS63 3.0 27.5 1.0
CE1 D:HIS80 3.0 17.7 1.0
CG D:HIS80 3.0 27.6 1.0
CG D:HIS71 3.2 22.6 1.0
CB D:HIS63 3.4 24.8 1.0
CB D:HIS80 3.4 28.4 1.0
CB D:HIS71 3.6 24.6 1.0
O D:LYS136 3.8 20.6 1.0
CA D:HIS71 3.9 24.1 1.0
NE2 D:HIS71 4.0 24.6 1.0
NE2 D:HIS63 4.0 21.7 1.0
CD2 D:HIS63 4.1 23.6 1.0
NE2 D:HIS80 4.1 21.4 1.0
CB D:ASP83 4.1 19.1 1.0
CD2 D:HIS80 4.1 28.2 1.0
CD2 D:HIS71 4.2 18.4 1.0
N D:GLY72 4.6 21.6 1.0
CA D:ASP83 4.6 19.1 1.0
CA D:HIS80 4.6 24.6 1.0
N D:HIS80 4.7 25.5 1.0
O D:HOH628 4.8 26.2 1.0
C D:HIS71 4.8 24.8 1.0
C D:LYS136 4.9 26.3 1.0
N D:ASP83 4.9 21.4 1.0
CD2 D:HIS46 4.9 18.0 1.0
CA D:HIS63 4.9 20.9 1.0
N D:HIS71 5.0 29.3 1.0

Zinc binding site 5 out of 10 in 2zky

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Zinc binding site 5 out of 10 in the Crystal Structure of Human Cu-Zn Superoxide Dismutase Mutant G93A


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 5 of Crystal Structure of Human Cu-Zn Superoxide Dismutase Mutant G93A within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Zn605

b:28.2
occ:1.00
OD1 E:ASP83 1.9 19.3 1.0
ND1 E:HIS63 2.0 30.9 1.0
ND1 E:HIS80 2.0 21.4 1.0
ND1 E:HIS71 2.1 35.9 1.0
CG E:ASP83 2.7 25.2 1.0
OD2 E:ASP83 2.8 27.0 1.0
CE1 E:HIS80 2.9 29.4 1.0
CG E:HIS63 3.0 38.8 1.0
CE1 E:HIS63 3.0 30.8 1.0
CG E:HIS80 3.0 28.2 1.0
CE1 E:HIS71 3.0 33.6 1.0
CG E:HIS71 3.2 33.4 1.0
CB E:HIS63 3.3 21.9 1.0
CB E:HIS80 3.5 25.2 1.0
CB E:HIS71 3.6 25.8 1.0
O E:LYS136 3.6 47.1 1.0
CA E:HIS71 4.0 28.4 1.0
NE2 E:HIS80 4.0 25.7 1.0
NE2 E:HIS63 4.1 35.5 1.0
CD2 E:HIS80 4.1 30.5 1.0
CD2 E:HIS63 4.1 33.0 1.0
CB E:ASP83 4.1 20.8 1.0
NE2 E:HIS71 4.2 32.9 1.0
CD2 E:HIS71 4.3 34.6 1.0
C E:LYS136 4.7 44.2 1.0
CA E:ASP83 4.7 20.3 1.0
CA E:HIS80 4.7 29.8 1.0
N E:GLY72 4.7 30.3 1.0
N E:HIS80 4.7 37.2 1.0
O E:HOH650 4.9 31.9 1.0
CA E:HIS63 4.9 29.4 1.0
N E:HIS71 4.9 25.1 1.0
C E:HIS71 4.9 33.1 1.0

Zinc binding site 6 out of 10 in 2zky

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Zinc binding site 6 out of 10 in the Crystal Structure of Human Cu-Zn Superoxide Dismutase Mutant G93A


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 6 of Crystal Structure of Human Cu-Zn Superoxide Dismutase Mutant G93A within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Zn606

b:20.4
occ:1.00
OD1 F:ASP83 1.9 9.6 1.0
ND1 F:HIS63 1.9 27.0 1.0
ND1 F:HIS80 2.1 19.7 1.0
ND1 F:HIS71 2.1 20.9 1.0
CG F:ASP83 2.7 26.7 1.0
CE1 F:HIS63 2.9 24.0 1.0
OD2 F:ASP83 3.0 18.1 1.0
CG F:HIS63 3.0 23.6 1.0
CE1 F:HIS80 3.0 23.0 1.0
CE1 F:HIS71 3.0 23.1 1.0
CG F:HIS80 3.1 21.1 1.0
CG F:HIS71 3.2 25.1 1.0
CB F:HIS63 3.4 12.6 1.0
CB F:HIS80 3.4 23.5 1.0
CB F:HIS71 3.5 13.9 1.0
O F:LYS136 3.8 34.7 1.0
CA F:HIS71 3.9 23.6 1.0
NE2 F:HIS63 4.0 26.8 1.0
CD2 F:HIS63 4.1 18.1 1.0
NE2 F:HIS80 4.1 22.3 1.0
CB F:ASP83 4.2 14.7 1.0
CD2 F:HIS80 4.2 16.2 1.0
NE2 F:HIS71 4.2 23.2 1.0
CD2 F:HIS71 4.3 17.1 1.0
N F:GLY72 4.7 28.4 1.0
CA F:HIS80 4.7 20.7 1.0
N F:HIS80 4.7 26.9 1.0
CA F:ASP83 4.7 20.3 1.0
C F:LYS136 4.8 32.5 1.0
C F:HIS71 4.8 22.8 1.0
O F:HOH614 4.9 22.1 1.0
N F:HIS71 4.9 16.7 1.0
CD2 F:HIS46 4.9 20.6 1.0
N F:ASP83 4.9 23.1 1.0
CA F:HIS63 5.0 22.6 1.0

Zinc binding site 7 out of 10 in 2zky

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Zinc binding site 7 out of 10 in the Crystal Structure of Human Cu-Zn Superoxide Dismutase Mutant G93A


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 7 of Crystal Structure of Human Cu-Zn Superoxide Dismutase Mutant G93A within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Zn607

b:52.8
occ:1.00
OD1 G:ASP83 1.9 46.0 1.0
ND1 G:HIS71 2.2 70.5 1.0
ND1 G:HIS80 2.2 42.4 1.0
ND1 G:HIS63 2.3 64.6 1.0
CG G:ASP83 2.7 52.1 1.0
OD2 G:ASP83 2.8 52.0 1.0
CE1 G:HIS71 3.0 68.7 1.0
CE1 G:HIS80 3.1 42.2 1.0
CG G:HIS80 3.1 43.1 1.0
CG G:HIS63 3.2 61.6 1.0
CG G:HIS71 3.2 71.0 1.0
CE1 G:HIS63 3.3 68.2 1.0
CB G:HIS63 3.4 53.0 1.0
CB G:HIS80 3.5 52.0 1.0
O G:LYS136 3.5 78.9 1.0
CB G:HIS71 3.6 68.4 1.0
CA G:HIS71 3.9 69.3 1.0
CB G:ASP83 4.1 50.1 1.0
NE2 G:HIS71 4.2 71.2 1.0
NE2 G:HIS80 4.2 44.3 1.0
CD2 G:HIS80 4.2 42.5 1.0
CD2 G:HIS71 4.3 72.5 1.0
CD2 G:HIS63 4.3 70.8 1.0
NE2 G:HIS63 4.3 74.9 1.0
C G:LYS136 4.7 76.2 1.0
CA G:ASP83 4.7 54.0 1.0
N G:GLY72 4.7 69.7 1.0
CA G:HIS80 4.8 53.3 1.0
N G:ASP83 4.8 52.0 1.0
N G:HIS80 4.8 63.8 1.0
CD2 G:HIS46 4.8 55.1 1.0
CA G:HIS63 4.9 52.0 1.0
C G:HIS71 4.9 70.6 1.0
N G:HIS71 4.9 71.0 1.0

Zinc binding site 8 out of 10 in 2zky

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Zinc binding site 8 out of 10 in the Crystal Structure of Human Cu-Zn Superoxide Dismutase Mutant G93A


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 8 of Crystal Structure of Human Cu-Zn Superoxide Dismutase Mutant G93A within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Zn608

b:32.2
occ:1.00
OD1 H:ASP83 1.9 26.5 1.0
ND1 H:HIS80 1.9 35.5 1.0
ND1 H:HIS71 2.0 20.1 1.0
ND1 H:HIS63 2.1 35.1 1.0
CG H:ASP83 2.6 35.7 1.0
CE1 H:HIS80 2.8 36.0 1.0
OD2 H:ASP83 2.8 31.6 1.0
CE1 H:HIS71 2.8 28.5 1.0
CG H:HIS80 2.9 35.8 1.0
CG H:HIS63 3.1 27.2 1.0
CG H:HIS71 3.1 33.2 1.0
CE1 H:HIS63 3.1 22.9 1.0
CB H:HIS63 3.3 28.6 1.0
CB H:HIS80 3.4 35.1 1.0
CB H:HIS71 3.6 23.2 1.0
NE2 H:HIS80 3.8 35.2 1.0
CA H:HIS71 3.9 30.7 1.0
O H:LYS136 3.9 36.2 1.0
CD2 H:HIS80 3.9 38.3 1.0
NE2 H:HIS71 4.0 32.3 1.0
CB H:ASP83 4.1 34.4 1.0
CD2 H:HIS71 4.1 26.5 1.0
CD2 H:HIS63 4.2 26.6 1.0
NE2 H:HIS63 4.2 37.3 1.0
CA H:ASP83 4.6 32.5 1.0
N H:GLY72 4.6 30.9 1.0
N H:HIS80 4.6 33.7 1.0
CA H:HIS80 4.6 30.3 1.0
N H:ASP83 4.8 25.1 1.0
C H:HIS71 4.8 32.7 1.0
CA H:HIS63 4.9 31.9 1.0
C H:LYS136 4.9 34.8 1.0
N H:HIS71 4.9 37.1 1.0
CD2 H:HIS46 5.0 26.5 1.0
O H:HOH614 5.0 27.1 1.0

Zinc binding site 9 out of 10 in 2zky

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Zinc binding site 9 out of 10 in the Crystal Structure of Human Cu-Zn Superoxide Dismutase Mutant G93A


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 9 of Crystal Structure of Human Cu-Zn Superoxide Dismutase Mutant G93A within 5.0Å range:
probe atom residue distance (Å) B Occ
I:Zn609

b:47.6
occ:1.00
OD1 I:ASP83 2.0 55.8 1.0
ND1 I:HIS63 2.1 39.5 1.0
ND1 I:HIS80 2.1 55.8 1.0
ND1 I:HIS71 2.2 85.7 1.0
CG I:ASP83 2.6 53.4 1.0
OD2 I:ASP83 2.7 50.7 1.0
CE1 I:HIS80 3.0 56.5 1.0
CE1 I:HIS63 3.0 45.5 1.0
CE1 I:HIS71 3.1 88.4 1.0
CG I:HIS80 3.1 53.5 1.0
CG I:HIS63 3.1 46.9 1.0
CG I:HIS71 3.3 84.0 1.0
CB I:HIS63 3.5 48.9 1.0
CB I:HIS80 3.5 52.3 1.0
CB I:HIS71 3.7 77.0 1.0
O I:LYS136 3.9 73.0 1.0
CB I:ASP83 4.0 51.7 1.0
CA I:HIS71 4.0 74.4 1.0
NE2 I:HIS80 4.0 55.6 1.0
CD2 I:HIS80 4.1 50.3 1.0
NE2 I:HIS63 4.2 46.1 1.0
NE2 I:HIS71 4.2 84.8 1.0
CD2 I:HIS63 4.2 48.1 1.0
CD2 I:HIS71 4.3 86.2 1.0
CA I:ASP83 4.6 49.0 1.0
N I:GLY72 4.6 70.0 1.0
CA I:HIS80 4.8 58.1 1.0
N I:HIS80 4.8 60.9 1.0
CD2 I:HIS46 4.8 42.9 1.0
C I:LYS136 4.9 76.2 1.0
C I:HIS71 4.9 73.7 1.0
N I:ASP83 4.9 51.4 1.0

Zinc binding site 10 out of 10 in 2zky

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Zinc binding site 10 out of 10 in the Crystal Structure of Human Cu-Zn Superoxide Dismutase Mutant G93A


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 10 of Crystal Structure of Human Cu-Zn Superoxide Dismutase Mutant G93A within 5.0Å range:
probe atom residue distance (Å) B Occ
J:Zn610

b:32.9
occ:1.00
OD1 J:ASP83 1.9 38.6 1.0
ND1 J:HIS80 2.0 36.8 1.0
ND1 J:HIS71 2.1 37.4 1.0
ND1 J:HIS63 2.2 27.6 1.0
CG J:ASP83 2.7 42.5 1.0
OD2 J:ASP83 2.8 30.4 1.0
CE1 J:HIS71 2.9 40.7 1.0
CE1 J:HIS80 2.9 22.7 1.0
CG J:HIS80 3.0 31.8 1.0
CG J:HIS63 3.1 31.4 1.0
CE1 J:HIS63 3.2 32.1 1.0
CG J:HIS71 3.2 33.2 1.0
CB J:HIS63 3.3 30.7 1.0
CB J:HIS80 3.5 36.5 1.0
CB J:HIS71 3.7 28.8 1.0
O J:LYS136 3.7 38.4 1.0
NE2 J:HIS80 4.0 28.3 1.0
NE2 J:HIS71 4.1 40.0 1.0
CB J:ASP83 4.1 37.4 1.0
CD2 J:HIS80 4.1 30.8 1.0
CA J:HIS71 4.1 37.1 1.0
CD2 J:HIS71 4.2 37.8 1.0
CD2 J:HIS63 4.3 33.9 1.0
NE2 J:HIS63 4.3 29.4 1.0
CA J:ASP83 4.6 37.5 1.0
CA J:HIS80 4.7 35.3 1.0
N J:HIS80 4.7 40.2 1.0
O J:HOH619 4.8 36.4 1.0
N J:GLY72 4.8 41.0 1.0
C J:LYS136 4.8 42.7 1.0
CA J:HIS63 4.9 37.6 1.0
CD2 J:HIS46 4.9 41.6 1.0
N J:ASP83 4.9 33.0 1.0
C J:HIS71 5.0 39.9 1.0

Reference:

S.Yoshikawa, M.Kukimoto-Niino, K.Ito, M.Shirouzu, M.Urushitani, R.Takahashi, S.Yokoyama. Crystal Structure of Human Cu-Zn Superoxide Dismutase Mutant G93A To Be Published.
Page generated: Thu Oct 24 10:48:47 2024

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