Manganese in PDB 2deg: Crystal Structure of TT0972 Protein Form Thermus Thermophilus with MN2(+) Ions

The structure of Crystal Structure of TT0972 Protein Form Thermus Thermophilus with MN2(+) Ions, PDB code: 2deg was solved by E.Inagaki, N.Nakano, A.Shinkai, S.Yokoyama, Riken Structuralgenomics/Proteomics Initiative (Rsgi), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	10.00 / 1.70
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	65.324, 65.324, 202.366, 90.00, 90.00, 90.00
R / Rfree (%)	23.6 / 27.9

The structure of Crystal Structure of TT0972 Protein Form Thermus Thermophilus with MN2(+) Ions also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Manganese atom in the Crystal Structure of TT0972 Protein Form Thermus Thermophilus with MN2(+) Ions (pdb code 2deg). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 5 binding sites of Manganese where determined in the Crystal Structure of TT0972 Protein Form Thermus Thermophilus with MN2(+) Ions, PDB code: 2deg:
Jump to Manganese binding site number: 1; 2; 3; 4; 5;

Manganese binding site 1 out of 5 in the Crystal Structure of TT0972 Protein Form Thermus Thermophilus with MN2(+) Ions


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 TT0972 Protein Form Thermus Thermophilus with MN2(+) Ions within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn1003 b:49.6 occ:0.33 MN B:MN1003 0.0 49.6 0.3 MN B:MN1003 1.3 33.3 0.3 MN B:MN1003 1.8 22.7 0.3 O B:HOH2024 2.4 35.9 1.0 OE1 A:GLU19 2.6 32.0 1.0 OE2 A:GLU19 2.7 32.7 1.0 OE1 C:GLU19 2.8 36.1 1.0 O A:HOH98 2.9 42.2 1.0 CD A:GLU19 3.0 27.2 1.0 OE1 B:GLU19 3.3 37.2 1.0 OE2 B:GLU19 3.5 36.5 1.0 OE2 C:GLU19 3.6 37.2 1.0 CD C:GLU19 3.6 34.0 1.0 CD B:GLU19 3.8 37.1 1.0 CG A:GLU19 4.5 30.2 1.0 N C:LEU18 4.9 30.9 1.0 O A:HOH91 5.0 40.6 1.0

Manganese binding site 2 out of 5 in the Crystal Structure of TT0972 Protein Form Thermus Thermophilus with MN2(+) Ions


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 TT0972 Protein Form Thermus Thermophilus with MN2(+) Ions within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn1003 b:22.7 occ:0.33 MN B:MN1003 0.0 22.7 0.3 MN B:MN1003 1.8 49.6 0.3 OE2 C:GLU19 2.0 37.2 1.0 MN B:MN1003 2.1 33.3 0.3 O B:HOH2024 2.1 35.9 1.0 OE1 C:GLU19 2.2 36.1 1.0 OE1 B:GLU19 2.3 37.2 1.0 CD C:GLU19 2.4 34.0 1.0 CD B:GLU19 3.3 37.1 1.0 OE2 B:GLU19 3.4 36.5 1.0 O A:HOH98 3.9 42.2 1.0 CG C:GLU19 3.9 31.1 1.0 OE2 A:GLU19 3.9 32.7 1.0 OE1 A:GLU19 4.1 32.0 1.0 N B:LEU18 4.2 35.1 1.0 CD A:GLU19 4.5 27.2 1.0 CB B:LEU18 4.5 33.6 1.0 N B:GLU19 4.6 35.5 1.0 CG B:GLU19 4.7 37.4 1.0 CB C:GLU19 4.8 30.1 1.0 CG B:LEU18 4.8 34.4 1.0 CA B:LEU18 4.8 34.5 1.0 N C:GLU19 4.9 28.6 1.0 CA B:GLY17 5.0 36.5 1.0

Manganese binding site 3 out of 5 in the Crystal Structure of TT0972 Protein Form Thermus Thermophilus with MN2(+) Ions


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 TT0972 Protein Form Thermus Thermophilus with MN2(+) Ions within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn1003 b:33.3 occ:0.33 MN B:MN1003 0.0 33.3 0.3 MN B:MN1003 1.3 49.6 0.3 MN B:MN1003 2.1 22.7 0.3 O A:HOH98 2.1 42.2 1.0 OE2 B:GLU19 2.4 36.5 1.0 OE1 B:GLU19 2.5 37.2 1.0 O B:HOH2024 2.5 35.9 1.0 CD B:GLU19 2.7 37.1 1.0 OE1 A:GLU19 2.7 32.0 1.0 CD A:GLU19 3.6 27.2 1.0 OE2 A:GLU19 3.7 32.7 1.0 OE1 C:GLU19 3.9 36.1 1.0 CG B:GLU19 4.0 37.4 1.0 OE2 C:GLU19 4.1 37.2 1.0 O A:HOH91 4.3 40.6 1.0 CD C:GLU19 4.4 34.0 1.0 N A:LEU18 4.6 33.6 1.0 CB B:GLU19 4.9 36.1 1.0 N A:GLU19 4.9 32.2 1.0 CG A:GLU19 5.0 30.2 1.0

Manganese binding site 4 out of 5 in the Crystal Structure of TT0972 Protein Form Thermus Thermophilus with MN2(+) Ions


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 TT0972 Protein Form Thermus Thermophilus with MN2(+) Ions within 5.0Å range: probe atom residue distance (Å) B Occ F:Mn1002 b:45.2 occ:0.50 MN F:MN1002 0.0 45.2 0.5 OE2 D:GLU19 2.1 26.2 1.0 O E:HOH83 2.2 18.3 0.6 OE1 F:GLU19 2.2 34.6 1.0 MN F:MN1002 2.3 31.5 0.5 OE1 D:GLU19 2.5 26.6 1.0 CD D:GLU19 2.6 27.7 1.0 CD F:GLU19 3.2 32.3 1.0 OE2 F:GLU19 3.6 35.8 1.0 OE1 E:GLU19 4.0 37.8 1.0 CG D:GLU19 4.1 26.8 1.0 OE2 E:GLU19 4.1 34.0 1.0 N F:LEU18 4.1 23.6 1.0 O F:HOH1003 4.1 26.2 1.0 N F:GLU19 4.3 23.9 1.0 CB F:LEU18 4.4 24.0 1.0 CD E:GLU19 4.5 37.8 1.0 CG F:GLU19 4.6 27.2 1.0 CA F:LEU18 4.7 23.2 1.0 CG F:LEU18 4.8 25.8 1.0 CB F:GLU19 4.9 25.0 1.0 CA F:GLY17 5.0 24.7 1.0 C F:GLY17 5.0 24.7 1.0 CD1 F:LEU18 5.0 27.3 1.0

Manganese binding site 5 out of 5 in the Crystal Structure of TT0972 Protein Form Thermus Thermophilus with MN2(+) Ions


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 TT0972 Protein Form Thermus Thermophilus with MN2(+) Ions within 5.0Å range: probe atom residue distance (Å) B Occ F:Mn1002 b:31.5 occ:0.50 MN F:MN1002 0.0 31.5 0.5 OE2 F:GLU19 2.0 35.8 1.0 O E:HOH83 2.2 18.3 0.6 OE1 E:GLU19 2.2 37.8 1.0 MN F:MN1002 2.3 45.2 0.5 OE1 F:GLU19 2.4 34.6 1.0 CD F:GLU19 2.5 32.3 1.0 CD E:GLU19 3.2 37.8 1.0 OE2 E:GLU19 3.5 34.0 1.0 CG F:GLU19 3.9 27.2 1.0 N E:LEU18 4.1 32.5 1.0 OE1 D:GLU19 4.2 26.6 1.0 OE2 D:GLU19 4.2 26.2 1.0 O E:HOH77 4.4 38.2 1.0 N E:GLU19 4.5 30.4 1.0 CB E:LEU18 4.5 32.9 1.0 CG E:GLU19 4.6 31.4 1.0 CD D:GLU19 4.7 27.7 1.0 CA E:LEU18 4.8 31.4 1.0 CG E:LEU18 4.8 32.1 1.0 CB F:GLU19 4.9 25.0 1.0 CA E:GLY17 4.9 34.5 1.0 CB E:GLU19 4.9 31.4 1.0 C E:GLY17 4.9 33.1 1.0 CD1 E:LEU18 5.0 34.5 1.0

E.Inagaki, N.Nakano, A.Shinkai, S.Yokoyama. Crystal Structure of TT0972 Protein Form Thermus Thermophilus To Be Published.