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Manganese in PDB 6ds8: Crystal Structure of Mhud R26S Mutant with Two Manganese Protoporphyrin IX Bound Per Active Site

Enzymatic activity of Crystal Structure of Mhud R26S Mutant with Two Manganese Protoporphyrin IX Bound Per Active Site

All present enzymatic activity of Crystal Structure of Mhud R26S Mutant with Two Manganese Protoporphyrin IX Bound Per Active Site:
1.14.14.18;

Protein crystallography data

The structure of Crystal Structure of Mhud R26S Mutant with Two Manganese Protoporphyrin IX Bound Per Active Site, PDB code: 6ds8 was solved by A.Chao, C.W.Goulding, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 50.50 / 2.40
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 39.020, 68.701, 74.490, 90.00, 90.00, 90.00
R / Rfree (%) 18.1 / 24.2

Other elements in 6ds8:

The structure of Crystal Structure of Mhud R26S Mutant with Two Manganese Protoporphyrin IX Bound Per Active Site also contains other interesting chemical elements:

Chlorine (Cl) 2 atoms

Manganese Binding Sites:

The binding sites of Manganese atom in the Crystal Structure of Mhud R26S Mutant with Two Manganese Protoporphyrin IX Bound Per Active Site (pdb code 6ds8). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 4 binding sites of Manganese where determined in the Crystal Structure of Mhud R26S Mutant with Two Manganese Protoporphyrin IX Bound Per Active Site, PDB code: 6ds8:
Jump to Manganese binding site number: 1; 2; 3; 4;

Manganese binding site 1 out of 4 in 6ds8

Go back to Manganese Binding Sites List in 6ds8
Manganese binding site 1 out of 4 in the Crystal Structure of Mhud R26S Mutant with Two Manganese Protoporphyrin IX Bound Per Active Site


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 Mhud R26S Mutant with Two Manganese Protoporphyrin IX Bound Per Active Site within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn201

b:30.4
occ:1.00
MN A:MNH201 0.0 30.4 1.0
NA A:MNH201 2.1 28.6 1.0
ND A:MNH201 2.1 25.0 1.0
NC A:MNH201 2.1 22.0 1.0
NB A:MNH201 2.2 25.7 1.0
NE2 A:HIS75 2.5 33.2 1.0
C1A A:MNH201 3.0 30.2 1.0
C4A A:MNH201 3.0 31.9 1.0
CHD A:MNH201 3.1 27.3 1.0
C4D A:MNH201 3.1 29.5 1.0
C1D A:MNH201 3.1 27.2 1.0
C4C A:MNH201 3.1 26.3 1.0
CHA A:MNH201 3.1 31.1 1.0
CHB A:MNH201 3.1 28.6 1.0
C1B A:MNH201 3.2 25.4 1.0
C1C A:MNH201 3.2 24.6 1.0
C4B A:MNH201 3.2 27.8 1.0
C4D A:MNH202 3.3 27.2 1.0
CHA A:MNH202 3.3 20.6 1.0
CHC A:MNH201 3.3 27.4 1.0
CE1 A:HIS75 3.3 34.0 1.0
CD2 A:HIS75 3.6 29.5 1.0
ND A:MNH202 3.6 25.1 1.0
C1A A:MNH202 3.7 25.1 1.0
C3D A:MNH202 3.8 28.8 1.0
NA A:MNH202 4.0 23.6 1.0
C2A A:MNH201 4.2 28.6 1.0
C3A A:MNH201 4.2 34.5 1.0
C1D A:MNH202 4.2 25.8 1.0
C3D A:MNH201 4.3 31.2 1.0
C2D A:MNH201 4.3 30.7 1.0
C3C A:MNH201 4.3 20.9 1.0
C3B A:MNH201 4.3 23.2 1.0
C2C A:MNH201 4.4 21.9 1.0
C2B A:MNH201 4.4 29.5 1.0
C2D A:MNH202 4.5 23.4 1.0
ND1 A:HIS75 4.5 31.1 1.0
CAD A:MNH202 4.5 30.1 1.0
C2A A:MNH202 4.6 26.8 1.0
MN A:MNH202 4.6 25.7 1.0
CG A:HIS75 4.7 31.5 1.0
C4A A:MNH202 4.8 25.4 1.0
CHD A:MNH202 5.0 22.1 1.0

Manganese binding site 2 out of 4 in 6ds8

Go back to Manganese Binding Sites List in 6ds8
Manganese binding site 2 out of 4 in the Crystal Structure of Mhud R26S Mutant with Two Manganese Protoporphyrin IX Bound Per Active Site


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 Mhud R26S Mutant with Two Manganese Protoporphyrin IX Bound Per Active Site within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn202

b:25.7
occ:1.00
MN A:MNH202 0.0 25.7 1.0
ND A:MNH202 2.1 25.1 1.0
NA A:MNH202 2.1 23.6 1.0
NC A:MNH202 2.1 23.5 1.0
NB A:MNH202 2.2 22.2 1.0
CL A:CL203 2.5 25.1 1.0
C4D A:MNH202 3.1 27.2 1.0
C1D A:MNH202 3.1 25.8 1.0
CHD A:MNH202 3.1 22.1 1.0
C4C A:MNH202 3.1 26.9 1.0
C1A A:MNH202 3.1 25.1 1.0
C4B A:MNH202 3.2 25.4 1.0
C1C A:MNH202 3.2 25.3 1.0
C4A A:MNH202 3.2 25.4 1.0
CHA A:MNH202 3.2 20.6 1.0
C1B A:MNH202 3.3 23.9 1.0
CHC A:MNH202 3.3 23.6 1.0
CHB A:MNH202 3.4 21.7 1.0
C4C A:MNH201 3.6 26.3 1.0
CHD A:MNH201 3.7 27.3 1.0
NC A:MNH201 4.0 22.0 1.0
C3C A:MNH201 4.0 20.9 1.0
C3D A:MNH202 4.3 28.8 1.0
ND2 A:ASN7 4.3 25.1 1.0
C1D A:MNH201 4.3 27.2 1.0
C3B A:MNH202 4.4 29.4 1.0
C2A A:MNH202 4.4 26.8 1.0
C3C A:MNH202 4.4 23.4 1.0
C2D A:MNH202 4.4 23.4 1.0
C2C A:MNH202 4.4 22.1 1.0
CAC A:MNH201 4.4 23.3 1.0
C3A A:MNH202 4.5 24.9 1.0
C1C A:MNH201 4.5 24.6 1.0
C2C A:MNH201 4.5 21.9 1.0
C2B A:MNH202 4.6 29.4 1.0
CZ A:PHE23 4.6 20.2 1.0
MN A:MNH201 4.6 30.4 1.0
ND A:MNH201 4.6 25.0 1.0

Manganese binding site 3 out of 4 in 6ds8

Go back to Manganese Binding Sites List in 6ds8
Manganese binding site 3 out of 4 in the Crystal Structure of Mhud R26S Mutant with Two Manganese Protoporphyrin IX Bound Per Active Site


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 Mhud R26S Mutant with Two Manganese Protoporphyrin IX Bound Per Active Site within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mn201

b:30.2
occ:1.00
MN B:MNH201 0.0 30.2 1.0
ND B:MNH201 2.1 23.8 1.0
NA B:MNH201 2.1 30.1 1.0
NC B:MNH201 2.2 28.5 1.0
NB B:MNH201 2.2 26.1 1.0
NE2 B:HIS75 2.4 26.7 1.0
C1A B:MNH201 3.1 26.0 1.0
C4D B:MNH201 3.1 27.0 1.0
C4C B:MNH201 3.2 26.7 1.0
CHA B:MNH201 3.2 26.0 1.0
C1D B:MNH201 3.2 26.6 1.0
C4B B:MNH201 3.2 29.3 1.0
C1C B:MNH201 3.2 27.3 1.0
C4A B:MNH201 3.2 32.0 1.0
CHD B:MNH201 3.2 22.1 1.0
CE1 B:HIS75 3.2 23.8 1.0
C1B B:MNH201 3.2 32.1 1.0
CHC B:MNH201 3.3 25.7 1.0
CHB B:MNH201 3.3 29.2 1.0
CHA B:MNH202 3.4 24.5 1.0
C4D B:MNH202 3.4 23.1 1.0
CD2 B:HIS75 3.5 23.7 1.0
C1A B:MNH202 3.8 27.1 1.0
ND B:MNH202 3.8 19.9 1.0
C3D B:MNH202 3.9 26.5 1.0
NA B:MNH202 4.1 25.5 1.0
C3D B:MNH201 4.3 27.3 1.0
C2A B:MNH201 4.4 30.0 1.0
C3B B:MNH201 4.4 30.6 1.0
C3C B:MNH201 4.4 25.5 1.0
ND1 B:HIS75 4.4 25.4 1.0
C1D B:MNH202 4.4 24.5 1.0
C2C B:MNH201 4.4 26.9 1.0
C2D B:MNH201 4.5 27.8 1.0
C3A B:MNH201 4.5 30.0 1.0
CAD B:MNH202 4.5 31.1 1.0
C2B B:MNH201 4.5 35.6 1.0
C2A B:MNH202 4.5 26.0 1.0
CG B:HIS75 4.6 26.2 1.0
C2D B:MNH202 4.6 27.1 1.0
MN B:MNH202 4.8 26.3 1.0
C4A B:MNH202 4.9 28.5 1.0
CAA B:MNH202 5.0 33.4 1.0

Manganese binding site 4 out of 4 in 6ds8

Go back to Manganese Binding Sites List in 6ds8
Manganese binding site 4 out of 4 in the Crystal Structure of Mhud R26S Mutant with Two Manganese Protoporphyrin IX Bound Per Active Site


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 Mhud R26S Mutant with Two Manganese Protoporphyrin IX Bound Per Active Site within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mn202

b:26.3
occ:1.00
MN B:MNH202 0.0 26.3 1.0
ND B:MNH202 2.1 19.9 1.0
NA B:MNH202 2.1 25.5 1.0
NC B:MNH202 2.1 20.9 1.0
NB B:MNH202 2.2 23.2 1.0
CL B:CL203 2.5 25.7 1.0
C4C B:MNH202 3.1 23.3 1.0
C1D B:MNH202 3.1 24.5 1.0
CHD B:MNH202 3.1 21.9 1.0
C4D B:MNH202 3.1 23.1 1.0
C1A B:MNH202 3.1 27.1 1.0
C4A B:MNH202 3.2 28.5 1.0
C1C B:MNH202 3.2 26.4 1.0
C4B B:MNH202 3.2 24.9 1.0
CHA B:MNH202 3.3 24.5 1.0
C1B B:MNH202 3.3 26.4 1.0
CHB B:MNH202 3.3 24.9 1.0
CHC B:MNH202 3.3 21.9 1.0
C4C B:MNH201 3.8 26.7 1.0
ND2 B:ASN7 3.9 22.3 1.0
CHD B:MNH201 3.9 22.1 1.0
C3C B:MNH201 4.2 25.5 1.0
NC B:MNH201 4.2 28.5 1.0
C3D B:MNH202 4.3 26.5 1.0
C3C B:MNH202 4.4 23.8 1.0
C2A B:MNH202 4.4 26.0 1.0
C3B B:MNH202 4.4 27.1 1.0
C2D B:MNH202 4.4 27.1 1.0
C2C B:MNH202 4.4 24.0 1.0
C3A B:MNH202 4.5 27.5 1.0
C1D B:MNH201 4.5 26.6 1.0
C2B B:MNH202 4.5 26.9 1.0
CAC B:MNH201 4.6 24.3 1.0
CZ B:PHE23 4.7 21.8 1.0
C1C B:MNH201 4.7 27.3 1.0
C2C B:MNH201 4.7 26.9 1.0
ND B:MNH201 4.8 23.8 1.0
MN B:MNH201 4.8 30.2 1.0
CG B:ASN7 4.9 24.1 1.0

Reference:

A.Chao, C.W.Goulding. Crystal Structure of Mhud R26S Mutant with Two Manganese Protoporphyrin IX Bound Per Active Site To Be Published.
Page generated: Sun Oct 6 04:12:14 2024

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