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Manganese in PDB 4gun: Crystal Structure of the K184R, L185P Mutant Manganese Superoxide Dismutase From Candida Albicans Cytosol

Enzymatic activity of Crystal Structure of the K184R, L185P Mutant Manganese Superoxide Dismutase From Candida Albicans Cytosol

All present enzymatic activity of Crystal Structure of the K184R, L185P Mutant Manganese Superoxide Dismutase From Candida Albicans Cytosol:
1.15.1.1;

Protein crystallography data

The structure of Crystal Structure of the K184R, L185P Mutant Manganese Superoxide Dismutase From Candida Albicans Cytosol, PDB code: 4gun was solved by Y.Sheng, D.Cascio, J.S.Valentine, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 53.02 / 1.94
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 129.330, 73.800, 134.290, 90.00, 109.30, 90.00
R / Rfree (%) 23.8 / 26.6

Manganese Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 16;

Binding sites:

The binding sites of Manganese atom in the Crystal Structure of the K184R, L185P Mutant Manganese Superoxide Dismutase From Candida Albicans Cytosol (pdb code 4gun). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 16 binding sites of Manganese where determined in the Crystal Structure of the K184R, L185P Mutant Manganese Superoxide Dismutase From Candida Albicans Cytosol, PDB code: 4gun:
Jump to Manganese binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Manganese binding site 1 out of 16 in 4gun

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Manganese binding site 1 out of 16 in the Crystal Structure of the K184R, L185P Mutant Manganese Superoxide Dismutase From Candida Albicans Cytosol


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Crystal Structure of the K184R, L185P Mutant Manganese Superoxide Dismutase From Candida Albicans Cytosol within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn301

b:9.9
occ:1.00
 OD2 A:ASP170 2.0 12.8 1.0
NE2 A:HIS80 2.1 10.4 1.0
NE2 A:HIS174 2.1 10.4 1.0
NE2 A:HIS32 2.2 8.9 1.0
O A:HOH423 2.2 14.7 1.0
CE1 A:HIS80 3.0 10.4 1.0
CG A:ASP170 3.1 8.8 1.0
CE1 A:HIS174 3.1 9.6 1.0
CD2 A:HIS32 3.1 9.8 1.0
CE1 A:HIS32 3.2 9.1 1.0
CD2 A:HIS174 3.2 10.1 1.0
CD2 A:HIS80 3.2 11.4 1.0
OD1 A:ASP170 3.5 13.1 1.0
ND1 A:HIS80 4.2 11.5 1.0
ND1 A:HIS174 4.2 9.6 1.0
CG A:HIS174 4.3 8.5 1.0
CG A:HIS32 4.3 9.8 1.0
CG A:HIS80 4.3 10.1 1.0
ND1 A:HIS32 4.3 10.5 1.0
CB A:ASP170 4.4 6.0 1.0
CZ2 A:TRP134 4.4 8.4 1.0
CB A:TRP172 4.5 8.9 1.0
NE2 A:GLN155 4.8 6.8 1.0
CG A:TRP172 4.8 10.4 1.0
CH2 A:TRP134 4.8 7.2 1.0
CB A:ALA175 4.8 4.3 1.0

Manganese binding site 2 out of 16 in 4gun

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Manganese binding site 2 out of 16 in the Crystal Structure of the K184R, L185P Mutant Manganese Superoxide Dismutase From Candida Albicans Cytosol


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Crystal Structure of the K184R, L185P Mutant Manganese Superoxide Dismutase From Candida Albicans Cytosol within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mn301

b:9.2
occ:1.00
 OD2 B:ASP170 2.0 19.0 1.0
NE2 B:HIS174 2.1 8.3 1.0
NE2 B:HIS80 2.1 13.3 1.0
NE2 B:HIS32 2.2 16.2 1.0
O B:HOH403 2.4 7.7 1.0
CD2 B:HIS174 3.1 9.1 1.0
CD2 B:HIS32 3.1 16.2 1.0
CG B:ASP170 3.1 9.8 1.0
CE1 B:HIS80 3.1 12.5 1.0
CE1 B:HIS174 3.1 7.7 1.0
CD2 B:HIS80 3.1 13.7 1.0
CE1 B:HIS32 3.3 15.9 1.0
OD1 B:ASP170 3.5 8.8 1.0
CG B:HIS174 4.2 8.1 1.0
ND1 B:HIS80 4.2 12.9 1.0
CG B:HIS80 4.2 11.5 1.0
ND1 B:HIS174 4.2 9.0 1.0
CG B:HIS32 4.3 14.6 1.0
CB B:ASP170 4.3 9.8 1.0
ND1 B:HIS32 4.4 16.1 1.0
CZ2 B:TRP134 4.4 9.5 1.0
CB B:TRP172 4.5 4.1 1.0
CH2 B:TRP134 4.8 9.1 1.0
CG B:TRP172 4.8 3.9 1.0
NE2 B:GLN155 4.8 9.1 1.0
CB B:ALA175 4.9 7.9 1.0

Manganese binding site 3 out of 16 in 4gun

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Manganese binding site 3 out of 16 in the Crystal Structure of the K184R, L185P Mutant Manganese Superoxide Dismutase From Candida Albicans Cytosol


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 3 of Crystal Structure of the K184R, L185P Mutant Manganese Superoxide Dismutase From Candida Albicans Cytosol within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mn301

b:9.3
occ:1.00
 OD2 C:ASP170 2.0 13.4 1.0
NE2 C:HIS174 2.1 10.3 1.0
NE2 C:HIS80 2.1 12.0 1.0
NE2 C:HIS32 2.1 17.7 1.0
O C:HOH404 2.3 8.1 1.0
CD2 C:HIS174 3.1 10.5 1.0
CG C:ASP170 3.1 7.6 1.0
CE1 C:HIS80 3.1 11.4 1.0
CD2 C:HIS32 3.1 17.4 1.0
CD2 C:HIS80 3.1 12.0 1.0
CE1 C:HIS174 3.1 9.9 1.0
CE1 C:HIS32 3.2 17.1 1.0
OD1 C:ASP170 3.5 6.9 1.0
CG C:HIS174 4.2 8.9 1.0
ND1 C:HIS80 4.2 11.6 1.0
CG C:HIS80 4.2 9.9 1.0
ND1 C:HIS174 4.2 10.3 1.0
CG C:HIS32 4.3 15.5 1.0
ND1 C:HIS32 4.3 17.3 1.0
CB C:ASP170 4.3 9.9 1.0
CZ2 C:TRP134 4.4 9.9 1.0
CB C:TRP172 4.5 4.3 1.0
CG C:TRP172 4.8 4.7 1.0
CH2 C:TRP134 4.8 9.1 1.0
NE2 C:GLN155 4.9 4.8 1.0
CB C:ALA175 4.9 9.1 1.0

Manganese binding site 4 out of 16 in 4gun

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Manganese binding site 4 out of 16 in the Crystal Structure of the K184R, L185P Mutant Manganese Superoxide Dismutase From Candida Albicans Cytosol


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 4 of Crystal Structure of the K184R, L185P Mutant Manganese Superoxide Dismutase From Candida Albicans Cytosol within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mn301

b:9.9
occ:1.00
 OD2 D:ASP170 2.0 11.6 1.0
NE2 D:HIS80 2.1 10.4 1.0
O D:HOH411 2.1 9.9 1.0
NE2 D:HIS32 2.1 9.7 1.0
NE2 D:HIS174 2.1 9.4 1.0
CG D:ASP170 3.1 10.7 1.0
CE1 D:HIS80 3.1 10.1 1.0
CE1 D:HIS174 3.1 9.0 1.0
CE1 D:HIS32 3.1 9.8 1.0
CD2 D:HIS32 3.1 10.8 1.0
CD2 D:HIS80 3.2 11.5 1.0
CD2 D:HIS174 3.2 9.3 1.0
OD1 D:ASP170 3.5 12.2 1.0
ND1 D:HIS80 4.2 11.2 1.0
ND1 D:HIS174 4.2 8.9 1.0
CG D:HIS174 4.3 7.9 1.0
ND1 D:HIS32 4.3 11.2 1.0
CG D:HIS80 4.3 10.0 1.0
CG D:HIS32 4.3 10.6 1.0
CB D:ASP170 4.3 5.7 1.0
CZ2 D:TRP134 4.4 8.9 1.0
CB D:TRP172 4.5 8.2 1.0
CG D:TRP172 4.7 9.5 1.0
NE2 D:GLN155 4.7 6.1 1.0
CH2 D:TRP134 4.8 8.6 1.0
CB D:ALA175 4.9 4.8 1.0
CD1 D:TRP172 5.0 12.7 1.0

Manganese binding site 5 out of 16 in 4gun

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Manganese binding site 5 out of 16 in the Crystal Structure of the K184R, L185P Mutant Manganese Superoxide Dismutase From Candida Albicans Cytosol


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 5 of Crystal Structure of the K184R, L185P Mutant Manganese Superoxide Dismutase From Candida Albicans Cytosol within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Mn301

b:11.6
occ:1.00
 OD2 E:ASP170 2.0 17.6 1.0
NE2 E:HIS80 2.2 11.6 1.0
NE2 E:HIS174 2.2 9.3 1.0
NE2 E:HIS32 2.3 14.8 1.0
O E:HOH407 2.3 10.5 1.0
CG E:ASP170 3.0 14.2 1.0
CE1 E:HIS80 3.1 11.5 1.0
CE1 E:HIS174 3.1 8.8 1.0
CD2 E:HIS80 3.2 12.3 1.0
CD2 E:HIS32 3.2 14.5 1.0
CD2 E:HIS174 3.2 9.8 1.0
CE1 E:HIS32 3.3 14.8 1.0
OD1 E:ASP170 3.5 15.9 1.0
ND1 E:HIS80 4.2 12.4 1.0
CG E:HIS80 4.3 10.5 1.0
ND1 E:HIS174 4.3 9.9 1.0
CG E:HIS174 4.3 9.3 1.0
CB E:ASP170 4.3 8.0 1.0
CG E:HIS32 4.3 13.1 1.0
CZ2 E:TRP134 4.4 13.6 1.0
ND1 E:HIS32 4.4 14.8 1.0
CB E:TRP172 4.5 8.9 1.0
CG E:TRP172 4.7 10.1 1.0
CH2 E:TRP134 4.8 13.8 1.0
CB E:ALA175 4.8 8.7 1.0
NE2 E:GLN155 4.8 6.3 1.0

Manganese binding site 6 out of 16 in 4gun

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Manganese binding site 6 out of 16 in the Crystal Structure of the K184R, L185P Mutant Manganese Superoxide Dismutase From Candida Albicans Cytosol


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 6 of Crystal Structure of the K184R, L185P Mutant Manganese Superoxide Dismutase From Candida Albicans Cytosol within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Mn301

b:12.1
occ:1.00
 OD2 F:ASP170 2.0 19.6 1.0
NE2 F:HIS80 2.1 12.6 1.0
O F:HOH417 2.1 13.6 1.0
NE2 F:HIS32 2.2 13.2 1.0
NE2 F:HIS174 2.2 9.8 1.0
CE1 F:HIS80 3.0 12.2 1.0
CD2 F:HIS32 3.0 13.6 1.0
CG F:ASP170 3.1 11.0 1.0
CD2 F:HIS174 3.1 9.9 1.0
CD2 F:HIS80 3.2 13.2 1.0
CE1 F:HIS174 3.2 9.2 1.0
CE1 F:HIS32 3.3 13.2 1.0
OD1 F:ASP170 3.6 9.6 1.0
ND1 F:HIS80 4.2 13.1 1.0
CG F:HIS32 4.2 13.0 1.0
CG F:HIS80 4.3 11.7 1.0
CG F:HIS174 4.3 8.6 1.0
CB F:ASP170 4.3 9.0 1.0
ND1 F:HIS32 4.3 14.0 1.0
ND1 F:HIS174 4.3 9.8 1.0
CZ2 F:TRP134 4.4 11.9 1.0
CB F:TRP172 4.5 9.0 1.0
NE2 F:GLN155 4.8 9.0 1.0
CG F:TRP172 4.8 10.0 1.0
CH2 F:TRP134 4.9 11.3 1.0
CB F:ALA175 4.9 11.3 1.0

Manganese binding site 7 out of 16 in 4gun

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Manganese binding site 7 out of 16 in the Crystal Structure of the K184R, L185P Mutant Manganese Superoxide Dismutase From Candida Albicans Cytosol


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 7 of Crystal Structure of the K184R, L185P Mutant Manganese Superoxide Dismutase From Candida Albicans Cytosol within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Mn301

b:10.1
occ:1.00
 OD2 G:ASP170 2.0 13.2 1.0
NE2 G:HIS174 2.1 8.6 1.0
NE2 G:HIS80 2.1 10.4 1.0
O G:HOH426 2.3 14.3 1.0
NE2 G:HIS32 2.3 15.0 1.0
CG G:ASP170 3.0 11.1 1.0
CE1 G:HIS80 3.0 10.0 1.0
CE1 G:HIS174 3.1 9.0 1.0
CD2 G:HIS174 3.1 9.5 1.0
CD2 G:HIS80 3.2 10.9 1.0
CD2 G:HIS32 3.2 15.2 1.0
CE1 G:HIS32 3.4 14.9 1.0
OD1 G:ASP170 3.4 15.8 1.0
ND1 G:HIS80 4.2 10.8 1.0
ND1 G:HIS174 4.2 10.7 1.0
CG G:HIS174 4.3 9.8 1.0
CG G:HIS80 4.3 9.0 1.0
CB G:ASP170 4.3 6.4 1.0
CZ2 G:TRP134 4.3 13.2 1.0
CG G:HIS32 4.4 13.9 1.0
CB G:TRP172 4.5 7.8 1.0
ND1 G:HIS32 4.5 15.4 1.0
CG G:TRP172 4.6 9.3 1.0
CH2 G:TRP134 4.7 13.6 1.0
NE2 G:GLN155 4.8 8.0 1.0
CB G:ALA175 4.9 10.1 1.0
CD1 G:TRP172 4.9 12.0 1.0

Manganese binding site 8 out of 16 in 4gun

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Manganese binding site 8 out of 16 in the Crystal Structure of the K184R, L185P Mutant Manganese Superoxide Dismutase From Candida Albicans Cytosol


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 8 of Crystal Structure of the K184R, L185P Mutant Manganese Superoxide Dismutase From Candida Albicans Cytosol within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Mn301

b:10.0
occ:1.00
 OD2 H:ASP170 2.0 16.0 1.0
NE2 H:HIS32 2.1 12.9 1.0
NE2 H:HIS80 2.1 14.3 1.0
NE2 H:HIS174 2.2 9.4 1.0
O H:HOH405 2.3 11.4 1.0
CD2 H:HIS32 3.0 13.3 1.0
CE1 H:HIS80 3.0 13.4 1.0
CD2 H:HIS174 3.1 10.4 1.0
CG H:ASP170 3.1 10.2 1.0
CE1 H:HIS32 3.2 12.7 1.0
CD2 H:HIS80 3.2 14.8 1.0
CE1 H:HIS174 3.2 9.2 1.0
OD1 H:ASP170 3.6 9.5 1.0
CG H:HIS32 4.2 12.5 1.0
ND1 H:HIS80 4.2 14.2 1.0
ND1 H:HIS32 4.3 13.5 1.0
CG H:HIS80 4.3 13.3 1.0
CG H:HIS174 4.3 9.5 1.0
CB H:ASP170 4.3 9.2 1.0
ND1 H:HIS174 4.3 10.1 1.0
CZ2 H:TRP134 4.4 11.4 1.0
CB H:TRP172 4.5 9.3 1.0
CG H:TRP172 4.7 10.4 1.0
NE2 H:GLN155 4.8 10.8 1.0
CB H:ALA175 4.9 10.2 1.0
CH2 H:TRP134 4.9 11.0 1.0
CD1 H:TRP172 5.0 13.3 1.0

Manganese binding site 9 out of 16 in 4gun

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Manganese binding site 9 out of 16 in the Crystal Structure of the K184R, L185P Mutant Manganese Superoxide Dismutase From Candida Albicans Cytosol


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 9 of Crystal Structure of the K184R, L185P Mutant Manganese Superoxide Dismutase From Candida Albicans Cytosol within 5.0Å range:
probe atom residue distance (Å) B Occ
I:Mn301

b:8.2
occ:1.00
 OD2 I:ASP170 2.0 15.8 1.0
NE2 I:HIS174 2.1 4.9 1.0
NE2 I:HIS80 2.2 11.4 1.0
NE2 I:HIS32 2.2 12.4 1.0
O I:HOH419 2.5 12.4 1.0
CD2 I:HIS174 3.0 6.0 1.0
CG I:ASP170 3.1 10.9 1.0
CD2 I:HIS32 3.1 12.9 1.0
CD2 I:HIS80 3.1 11.4 1.0
CE1 I:HIS174 3.1 4.6 1.0
CE1 I:HIS80 3.1 10.4 1.0
CE1 I:HIS32 3.3 12.0 1.0
OD1 I:ASP170 3.6 10.6 1.0
CG I:HIS174 4.2 5.4 1.0
ND1 I:HIS174 4.2 5.4 1.0
CG I:HIS80 4.3 9.3 1.0
ND1 I:HIS80 4.3 10.6 1.0
CG I:HIS32 4.3 11.7 1.0
CB I:ASP170 4.4 8.1 1.0
ND1 I:HIS32 4.4 12.5 1.0
CZ2 I:TRP134 4.4 9.5 1.0
CB I:TRP172 4.5 4.3 1.0
CG I:TRP172 4.7 5.1 1.0
CH2 I:TRP134 4.8 9.3 1.0
NE2 I:GLN155 4.8 9.0 1.0
CB I:ALA175 4.9 8.9 1.0

Manganese binding site 10 out of 16 in 4gun

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Manganese binding site 10 out of 16 in the Crystal Structure of the K184R, L185P Mutant Manganese Superoxide Dismutase From Candida Albicans Cytosol


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 10 of Crystal Structure of the K184R, L185P Mutant Manganese Superoxide Dismutase From Candida Albicans Cytosol within 5.0Å range:
probe atom residue distance (Å) B Occ
J:Mn301

b:9.0
occ:1.00
 OD2 J:ASP170 2.0 16.0 1.0
O J:HOH407 2.1 8.5 1.0
NE2 J:HIS174 2.1 12.7 1.0
NE2 J:HIS32 2.2 11.6 1.0
NE2 J:HIS80 2.2 8.1 1.0
CG J:ASP170 3.1 6.6 1.0
CE1 J:HIS174 3.1 12.7 1.0
CD2 J:HIS32 3.1 12.1 1.0
CE1 J:HIS80 3.1 8.2 1.0
CD2 J:HIS174 3.2 12.2 1.0
CD2 J:HIS80 3.2 8.3 1.0
CE1 J:HIS32 3.2 11.4 1.0
OD1 J:ASP170 3.5 6.8 1.0
ND1 J:HIS174 4.2 12.9 1.0
ND1 J:HIS80 4.3 8.8 1.0
CG J:HIS32 4.3 11.3 1.0
CG J:HIS174 4.3 11.3 1.0
CG J:HIS80 4.3 7.0 1.0
ND1 J:HIS32 4.3 12.0 1.0
CB J:ASP170 4.3 6.3 1.0
CZ2 J:TRP134 4.4 6.7 1.0
CB J:TRP172 4.5 7.3 1.0
NE2 J:GLN155 4.7 5.6 1.0
CG J:TRP172 4.7 8.0 1.0
CH2 J:TRP134 4.8 5.6 1.0
CB J:ALA175 4.9 3.0 1.0

Reference:

Y.Sheng, D.Cascio, J.S.Valentine. Crystal Structure of the K184R, L185P Mutant Manganese Superoxide Dismutase From Candida Albicans Cytosol To Be Published.
Page generated: Sat Oct 5 19:37:10 2024

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