Atomistry » Zinc » PDB 5yo1-5yy0 » 5yul
Atomistry »
  Zinc »
    PDB 5yo1-5yy0 »
      5yul »

Zinc in PDB 5yul: Native Structure of HSOD1 in P6322 Space Group

Enzymatic activity of Native Structure of HSOD1 in P6322 Space Group

All present enzymatic activity of Native Structure of HSOD1 in P6322 Space Group:
1.15.1.1;

Protein crystallography data

The structure of Native Structure of HSOD1 in P6322 Space Group, PDB code: 5yul was solved by R.Manjula, B.Padmanabhan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 1.90
Space group P 63 2 2 1
Cell size a, b, c (Å), α, β, γ (°) 242.634, 242.634, 144.113, 90.00, 90.00, 120.00
R / Rfree (%) 18.6 / 22.7

Zinc Binding Sites:

The binding sites of Zinc atom in the Native Structure of HSOD1 in P6322 Space Group (pdb code 5yul). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 9 binding sites of Zinc where determined in the Native Structure of HSOD1 in P6322 Space Group, PDB code: 5yul:
Jump to Zinc binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9;

Zinc binding site 1 out of 9 in 5yul

Go back to Zinc Binding Sites List in 5yul
Zinc binding site 1 out of 9 in the Native Structure of HSOD1 in P6322 Space Group


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Native Structure of HSOD1 in P6322 Space Group within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn201

b:24.6
occ:1.00
OD1 A:ASP83 2.0 19.2 1.0
ND1 A:HIS63 2.0 20.5 1.0
ND1 A:HIS80 2.1 20.6 1.0
ND1 A:HIS71 2.1 19.2 1.0
CG A:ASP83 2.8 18.9 1.0
CE1 A:HIS63 2.9 20.0 1.0
CE1 A:HIS80 2.9 20.6 1.0
OD2 A:ASP83 2.9 18.2 1.0
CE1 A:HIS71 3.0 18.6 1.0
CG A:HIS63 3.1 20.1 1.0
CG A:HIS80 3.1 19.5 1.0
CG A:HIS71 3.2 18.3 1.0
CB A:HIS63 3.5 20.2 1.0
CB A:HIS80 3.6 17.4 1.0
CB A:HIS71 3.6 18.1 1.0
O A:LYS136 3.8 21.8 1.0
CA A:HIS71 4.0 20.1 1.0
NE2 A:HIS80 4.0 19.2 1.0
NE2 A:HIS63 4.1 20.9 1.0
CD2 A:HIS80 4.1 19.2 1.0
CD2 A:HIS63 4.2 20.7 1.0
NE2 A:HIS71 4.2 18.7 1.0
CB A:ASP83 4.2 16.8 1.0
CD2 A:HIS71 4.3 18.9 1.0
CA A:ASP83 4.6 17.8 1.0
N A:HIS80 4.8 16.4 1.0
C A:LYS136 4.8 18.9 1.0
N A:GLY72 4.8 17.0 1.0
CA A:HIS80 4.8 17.0 1.0
O A:HOH385 4.8 24.3 1.0
N A:ASP83 4.9 15.7 1.0
C A:HIS71 4.9 19.4 1.0
N A:HIS71 5.0 21.4 1.0
CD2 A:HIS46 5.0 20.6 1.0
CA A:HIS63 5.0 20.1 1.0

Zinc binding site 2 out of 9 in 5yul

Go back to Zinc Binding Sites List in 5yul
Zinc binding site 2 out of 9 in the Native Structure of HSOD1 in P6322 Space Group


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Native Structure of HSOD1 in P6322 Space Group within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Zn201

b:40.9
occ:1.00
OD1 H:ASP83 1.9 29.1 1.0
ND1 H:HIS80 2.1 34.2 1.0
ND1 H:HIS63 2.2 34.5 1.0
ND1 H:HIS71 2.3 38.7 1.0
CG H:ASP83 2.8 31.4 1.0
OD2 H:ASP83 2.9 36.9 1.0
CE1 H:HIS80 3.0 32.5 1.0
CG H:HIS80 3.1 35.6 1.0
CG H:HIS63 3.1 34.9 1.0
CE1 H:HIS63 3.2 35.5 1.0
CE1 H:HIS71 3.2 34.0 1.0
CG H:HIS71 3.3 39.1 1.0
CB H:HIS63 3.4 29.3 1.0
CB H:HIS80 3.5 32.4 1.0
CB H:HIS71 3.6 37.1 1.0
O H:LYS136 3.9 38.5 1.0
CA H:HIS71 3.9 33.8 1.0
NE2 H:HIS80 4.1 36.4 1.0
CD2 H:HIS80 4.1 35.6 1.0
CB H:ASP83 4.2 31.3 1.0
NE2 H:HIS63 4.3 34.8 1.0
CD2 H:HIS63 4.3 35.2 1.0
NE2 H:HIS71 4.4 37.7 1.0
CD2 H:HIS71 4.4 39.0 1.0
N H:HIS80 4.6 33.7 1.0
CA H:ASP83 4.7 29.4 1.0
CA H:HIS80 4.7 30.6 1.0
N H:GLY72 4.8 32.5 1.0
N H:ASP83 4.8 33.4 1.0
C H:LYS136 4.9 45.2 1.0
N H:HIS71 4.9 38.8 1.0
C H:HIS71 4.9 37.8 1.0
CA H:HIS63 4.9 27.5 1.0

Zinc binding site 3 out of 9 in 5yul

Go back to Zinc Binding Sites List in 5yul
Zinc binding site 3 out of 9 in the Native Structure of HSOD1 in P6322 Space Group


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Native Structure of HSOD1 in P6322 Space Group within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn201

b:25.4
occ:1.00
OD1 B:ASP83 1.9 18.4 1.0
ND1 B:HIS80 2.0 20.0 1.0
ND1 B:HIS63 2.0 21.2 1.0
ND1 B:HIS71 2.2 21.6 1.0
CG B:ASP83 2.7 18.9 1.0
CE1 B:HIS80 2.8 21.9 1.0
OD2 B:ASP83 2.9 18.7 1.0
CE1 B:HIS63 3.0 21.9 1.0
CG B:HIS80 3.0 19.4 1.0
CG B:HIS63 3.1 22.9 1.0
CE1 B:HIS71 3.1 19.8 1.0
CG B:HIS71 3.2 19.8 1.0
CB B:HIS63 3.4 22.1 1.0
CB B:HIS80 3.5 16.9 1.0
CB B:HIS71 3.6 17.4 1.0
O B:LYS136 3.9 26.4 1.0
NE2 B:HIS80 3.9 20.7 1.0
CA B:HIS71 4.0 19.5 1.0
CD2 B:HIS80 4.0 20.7 1.0
CB B:ASP83 4.1 19.0 1.0
NE2 B:HIS63 4.1 23.8 1.0
CD2 B:HIS63 4.2 20.7 1.0
NE2 B:HIS71 4.2 18.6 1.0
CD2 B:HIS71 4.3 17.3 1.0
CA B:ASP83 4.6 17.9 1.0
N B:HIS80 4.7 17.6 1.0
CA B:HIS80 4.7 18.3 1.0
N B:GLY72 4.8 18.2 1.0
O B:HOH402 4.9 27.4 1.0
N B:ASP83 4.9 17.3 1.0
C B:LYS136 4.9 23.3 1.0
CA B:HIS63 4.9 20.1 1.0
CD2 B:HIS46 4.9 19.4 1.0
C B:HIS71 4.9 21.2 1.0
N B:HIS71 5.0 20.8 1.0

Zinc binding site 4 out of 9 in 5yul

Go back to Zinc Binding Sites List in 5yul
Zinc binding site 4 out of 9 in the Native Structure of HSOD1 in P6322 Space Group


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of Native Structure of HSOD1 in P6322 Space Group within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Zn201

b:35.9
occ:1.00
OD1 C:ASP83 1.9 24.0 1.0
ND1 C:HIS63 2.0 26.1 1.0
ND1 C:HIS80 2.0 25.7 1.0
ND1 C:HIS71 2.3 26.4 1.0
CG C:ASP83 2.7 23.9 1.0
OD2 C:ASP83 2.9 28.4 1.0
CE1 C:HIS80 2.9 25.0 1.0
CE1 C:HIS63 3.0 26.5 1.0
CG C:HIS63 3.0 24.5 1.0
CG C:HIS80 3.0 27.2 1.0
CE1 C:HIS71 3.3 31.0 1.0
CG C:HIS71 3.3 29.1 1.0
CB C:HIS63 3.4 25.2 1.0
CB C:HIS80 3.5 24.8 1.0
CB C:HIS71 3.6 28.1 1.0
O C:LYS136 3.8 37.3 1.0
NE2 C:HIS80 4.0 26.1 1.0
CA C:HIS71 4.0 27.9 1.0
CD2 C:HIS80 4.1 26.9 1.0
NE2 C:HIS63 4.1 24.9 1.0
CD2 C:HIS63 4.1 24.6 1.0
CB C:ASP83 4.1 24.6 1.0
NE2 C:HIS71 4.4 26.8 1.0
CD2 C:HIS71 4.5 27.2 1.0
CA C:ASP83 4.6 25.0 1.0
N C:HIS80 4.7 27.2 1.0
CA C:HIS80 4.7 28.0 1.0
O C:HOH369 4.8 29.7 1.0
C C:LYS136 4.8 37.1 1.0
N C:ASP83 4.8 24.0 1.0
N C:GLY72 4.9 26.9 1.0
CA C:HIS63 4.9 23.1 1.0
N C:HIS71 5.0 28.5 1.0
C C:HIS71 5.0 34.6 1.0

Zinc binding site 5 out of 9 in 5yul

Go back to Zinc Binding Sites List in 5yul
Zinc binding site 5 out of 9 in the Native Structure of HSOD1 in P6322 Space Group


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 5 of Native Structure of HSOD1 in P6322 Space Group within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Zn201

b:25.7
occ:1.00
OD2 D:ASP83 1.9 18.6 1.0
ND1 D:HIS80 2.0 18.8 1.0
ND1 D:HIS63 2.0 21.6 1.0
ND1 D:HIS71 2.2 21.3 1.0
CG D:ASP83 2.8 19.9 1.0
CE1 D:HIS80 2.9 19.1 1.0
OD1 D:ASP83 2.9 17.4 1.0
CE1 D:HIS63 3.0 22.4 1.0
CG D:HIS80 3.0 18.1 1.0
CG D:HIS63 3.0 20.9 1.0
CE1 D:HIS71 3.0 20.5 1.0
CG D:HIS71 3.2 19.5 1.0
CB D:HIS63 3.4 20.9 1.0
CB D:HIS80 3.5 17.3 1.0
CB D:HIS71 3.6 18.2 1.0
O D:LYS136 3.8 21.3 1.0
CA D:HIS71 4.0 20.5 1.0
NE2 D:HIS80 4.0 22.2 1.0
CD2 D:HIS80 4.1 17.5 1.0
NE2 D:HIS63 4.1 23.2 1.0
CD2 D:HIS63 4.2 23.6 1.0
NE2 D:HIS71 4.2 18.7 1.0
CB D:ASP83 4.2 18.9 1.0
CD2 D:HIS71 4.3 18.6 1.0
CA D:ASP83 4.7 19.7 1.0
N D:HIS80 4.7 18.9 1.0
C D:LYS136 4.8 21.0 1.0
CA D:HIS80 4.8 18.0 1.0
N D:GLY72 4.9 17.7 1.0
O D:HOH346 4.9 25.4 1.0
N D:HIS71 4.9 20.6 1.0
N D:ASP83 4.9 20.6 1.0
CA D:HIS63 4.9 19.1 1.0
C D:HIS71 5.0 21.4 1.0

Zinc binding site 6 out of 9 in 5yul

Go back to Zinc Binding Sites List in 5yul
Zinc binding site 6 out of 9 in the Native Structure of HSOD1 in P6322 Space Group


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 6 of Native Structure of HSOD1 in P6322 Space Group within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Zn201

b:52.5
occ:1.00
ND1 E:HIS80 2.0 38.7 1.0
OD1 E:ASP83 2.0 41.8 1.0
ND1 E:HIS63 2.3 42.4 1.0
ND1 E:HIS71 2.5 48.2 1.0
CG E:ASP83 2.8 43.6 1.0
OD2 E:ASP83 2.9 43.3 1.0
CE1 E:HIS80 3.0 42.2 1.0
CG E:HIS80 3.0 45.8 1.0
CG E:HIS63 3.1 39.9 1.0
CB E:HIS63 3.2 35.7 1.0
CE1 E:HIS63 3.3 39.0 1.0
CB E:HIS80 3.4 33.8 1.0
CE1 E:HIS71 3.4 51.6 1.0
CG E:HIS71 3.5 50.8 1.0
CB E:HIS71 3.7 52.2 1.0
O E:LYS136 3.9 50.5 1.0
CA E:HIS71 3.9 52.4 1.0
NE2 E:HIS80 4.1 43.0 1.0
CD2 E:HIS80 4.1 47.5 1.0
CB E:ASP83 4.2 38.0 1.0
CD2 E:HIS63 4.3 42.0 1.0
NE2 E:HIS63 4.4 40.9 1.0
N E:HIS80 4.5 37.4 1.0
NE2 E:HIS71 4.6 59.1 1.0
CA E:HIS80 4.6 32.8 1.0
CD2 E:HIS71 4.6 54.2 1.0
CA E:ASP83 4.7 34.0 1.0
N E:GLY72 4.7 54.3 1.0
CA E:HIS63 4.8 30.5 1.0
C E:HIS71 4.8 53.3 1.0
CD2 E:HIS46 4.8 40.5 1.0
N E:ASP83 4.9 33.9 1.0
C E:LYS136 5.0 57.3 1.0
N E:HIS71 5.0 51.8 1.0

Zinc binding site 7 out of 9 in 5yul

Go back to Zinc Binding Sites List in 5yul
Zinc binding site 7 out of 9 in the Native Structure of HSOD1 in P6322 Space Group


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 7 of Native Structure of HSOD1 in P6322 Space Group within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Zn201

b:36.2
occ:1.00
OD1 F:ASP83 1.9 28.9 1.0
ND1 F:HIS80 2.1 26.7 1.0
ND1 F:HIS63 2.1 29.7 1.0
ND1 F:HIS71 2.3 30.2 1.0
CG F:ASP83 2.7 29.3 1.0
OD2 F:ASP83 2.9 29.5 1.0
CE1 F:HIS80 2.9 26.5 1.0
CG F:HIS63 3.0 30.2 1.0
CG F:HIS80 3.1 26.2 1.0
CE1 F:HIS63 3.1 31.4 1.0
CE1 F:HIS71 3.2 28.4 1.0
CG F:HIS71 3.3 30.4 1.0
CB F:HIS63 3.3 30.6 1.0
CB F:HIS80 3.5 27.5 1.0
CB F:HIS71 3.6 30.9 1.0
O F:LYS136 3.9 34.1 1.0
CA F:HIS71 4.0 32.3 1.0
NE2 F:HIS80 4.0 30.8 1.0
CD2 F:HIS80 4.1 29.1 1.0
CB F:ASP83 4.1 28.7 1.0
CD2 F:HIS63 4.2 32.9 1.0
NE2 F:HIS63 4.2 34.2 1.0
NE2 F:HIS71 4.3 29.4 1.0
CD2 F:HIS71 4.4 29.6 1.0
CA F:ASP83 4.7 33.3 1.0
N F:HIS80 4.7 33.6 1.0
CA F:HIS80 4.7 32.4 1.0
O F:HOH353 4.7 42.9 1.0
N F:GLY72 4.8 33.9 1.0
CD2 F:HIS46 4.9 29.5 1.0
C F:LYS136 4.9 34.4 1.0
CA F:HIS63 4.9 31.3 1.0
N F:ASP83 4.9 31.3 1.0
N F:HIS71 4.9 33.0 1.0
C F:HIS71 4.9 34.0 1.0

Zinc binding site 8 out of 9 in 5yul

Go back to Zinc Binding Sites List in 5yul
Zinc binding site 8 out of 9 in the Native Structure of HSOD1 in P6322 Space Group


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 8 of Native Structure of HSOD1 in P6322 Space Group within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Zn201

b:48.0
occ:1.00
ND1 G:HIS63 2.0 34.7 1.0
OD1 G:ASP83 2.0 38.8 1.0
ND1 G:HIS80 2.0 41.3 1.0
ND1 G:HIS71 2.3 47.5 1.0
CE1 G:HIS80 2.9 40.8 1.0
CG G:HIS63 2.9 35.6 1.0
CG G:ASP83 2.9 40.1 1.0
CG G:HIS80 3.0 42.4 1.0
CE1 G:HIS63 3.0 37.4 1.0
CB G:HIS63 3.2 39.0 1.0
CE1 G:HIS71 3.2 48.2 1.0
OD2 G:ASP83 3.3 33.1 1.0
CG G:HIS71 3.4 48.7 1.0
CB G:HIS80 3.4 40.1 1.0
CB G:HIS71 3.7 45.6 1.0
O G:LYS136 3.8 44.1 1.0
NE2 G:HIS80 3.9 43.1 1.0
CA G:HIS71 4.0 45.5 1.0
CD2 G:HIS80 4.0 40.1 1.0
CD2 G:HIS63 4.0 37.1 1.0
NE2 G:HIS63 4.1 36.8 1.0
CB G:ASP83 4.3 35.0 1.0
NE2 G:HIS71 4.4 47.9 1.0
CD2 G:HIS71 4.5 48.8 1.0
O G:HOH361 4.6 55.6 1.0
CA G:ASP83 4.6 35.3 1.0
CA G:HIS80 4.7 42.6 1.0
N G:HIS80 4.7 44.3 1.0
CA G:HIS63 4.8 39.7 1.0
CD2 G:HIS46 4.8 33.0 1.0
N G:ASP83 4.8 36.1 1.0
C G:LYS136 4.9 45.7 1.0
N G:GLY72 4.9 48.6 1.0
C G:HIS71 5.0 48.3 1.0
N G:HIS71 5.0 43.5 1.0

Zinc binding site 9 out of 9 in 5yul

Go back to Zinc Binding Sites List in 5yul
Zinc binding site 9 out of 9 in the Native Structure of HSOD1 in P6322 Space Group


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 9 of Native Structure of HSOD1 in P6322 Space Group within 5.0Å range:
probe atom residue distance (Å) B Occ
I:Zn201

b:32.8
occ:1.00
OD1 I:ASP83 1.9 26.6 1.0
ND1 I:HIS80 2.0 26.6 1.0
ND1 I:HIS71 2.1 32.6 1.0
ND1 I:HIS63 2.1 28.5 1.0
CG I:ASP83 2.8 29.5 1.0
CE1 I:HIS80 2.9 26.1 1.0
OD2 I:ASP83 2.9 28.5 1.0
CE1 I:HIS71 3.0 31.4 1.0
CG I:HIS80 3.0 27.4 1.0
CE1 I:HIS63 3.0 30.1 1.0
CG I:HIS63 3.1 26.9 1.0
CG I:HIS71 3.1 30.4 1.0
CB I:HIS80 3.4 29.9 1.0
CB I:HIS63 3.5 27.9 1.0
CB I:HIS71 3.5 27.9 1.0
O I:LYS136 3.8 30.5 1.0
CA I:HIS71 3.9 27.1 1.0
NE2 I:HIS80 4.0 27.4 1.0
CD2 I:HIS80 4.0 27.3 1.0
NE2 I:HIS71 4.1 30.8 1.0
NE2 I:HIS63 4.2 29.5 1.0
CB I:ASP83 4.2 28.1 1.0
CD2 I:HIS63 4.2 27.6 1.0
CD2 I:HIS71 4.2 27.8 1.0
CA I:ASP83 4.7 29.1 1.0
N I:HIS80 4.7 30.7 1.0
CA I:HIS80 4.7 29.6 1.0
C I:LYS136 4.8 28.1 1.0
N I:GLY72 4.8 27.4 1.0
C I:HIS71 4.9 30.2 1.0
N I:HIS71 4.9 31.7 1.0
N I:ASP83 4.9 28.8 1.0
O I:HOH359 4.9 29.4 1.0
CA I:HIS63 5.0 29.5 1.0

Reference:

R.Manjula, G.S.A.Wright, R.W.Strange, B.Padmanabhan. Assessment of Ligand Binding at A Site Relevant to SOD1 Oxidation and Aggregation Febs Lett. V. 592 1725 2018.
ISSN: ISSN 1873-3468
PubMed: 29679384
DOI: 10.1002/1873-3468.13055
Page generated: Mon Oct 28 16:26:52 2024

Last articles

Zn in 9MJ5
Zn in 9HNW
Zn in 9G0L
Zn in 9FNE
Zn in 9DZN
Zn in 9E0I
Zn in 9D32
Zn in 9DAK
Zn in 8ZXC
Zn in 8ZUF
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy