Manganese in PDB 3w44: Crystal Structure of Rsbx, Selenomethionine Derivative

All present enzymatic activity of Crystal Structure of Rsbx, Selenomethionine Derivative:
3.1.3.3;

The structure of Crystal Structure of Rsbx, Selenomethionine Derivative, PDB code: 3w44 was solved by A.H.Teh, M.Makino, S.Baba, N.Shimizu, M.Yamamoto, T.Kumasaka, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.30
Space group	P 42 2 2
Cell size a, b, c (Å), α, β, γ (°)	85.610, 85.610, 103.983, 90.00, 90.00, 90.00
R / Rfree (%)	18.8 / 24

The binding sites of Manganese atom in the Crystal Structure of Rsbx, Selenomethionine Derivative (pdb code 3w44). 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 Rsbx, Selenomethionine Derivative, PDB code: 3w44:
Jump to Manganese binding site number: 1; 2; 3; 4;

Manganese binding site 1 out of 4 in the Crystal Structure of Rsbx, Selenomethionine Derivative


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 Rsbx, Selenomethionine Derivative within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn201 b:30.8 occ:1.00 OD1 A:ASP156 2.1 29.3 1.0 O A:HOH323 2.3 27.0 1.0 O A:HOH325 2.3 39.2 1.0 O A:HOH324 2.3 31.1 1.0 OD2 A:ASP189 2.4 23.5 1.0 OD2 A:ASP44 2.4 23.8 1.0 CG A:ASP156 3.1 31.7 1.0 CG A:ASP189 3.2 30.6 1.0 CG A:ASP44 3.2 23.0 1.0 OD1 A:ASP189 3.2 28.9 1.0 OD1 A:ASP44 3.4 26.9 1.0 OD2 A:ASP156 3.5 34.0 1.0 MN A:MN202 3.7 29.9 1.0 O A:HOH327 3.8 23.5 1.0 O A:HOH407 3.9 54.3 1.0 O A:HOH381 4.0 37.4 1.0 N A:GLY157 4.2 30.8 1.0 O A:HOH330 4.3 19.9 1.0 O A:HOH326 4.4 33.0 1.0 O A:ASP190 4.4 32.2 1.0 OD1 A:ASP27 4.5 28.8 1.0 N A:ASP156 4.5 27.5 1.0 CB A:ASP156 4.5 28.5 1.0 CB A:ASP189 4.6 36.4 1.0 CB A:ASP44 4.6 25.2 1.0 C A:ASP156 4.7 29.6 1.0 CA A:ASP156 4.8 28.3 1.0 O A:HOH352 4.9 34.2 1.0 O A:HOH335 4.9 33.5 1.0 CA A:GLY157 4.9 32.9 1.0 CB A:THR155 4.9 25.2 1.0

Manganese binding site 2 out of 4 in the Crystal Structure of Rsbx, Selenomethionine Derivative


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 Rsbx, Selenomethionine Derivative within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn202 b:29.9 occ:1.00 O A:HOH323 2.0 27.0 1.0 O A:GLY45 2.1 26.9 1.0 OD1 A:ASP44 2.2 26.9 1.0 O A:GLY47 2.2 39.9 1.0 O A:HOH326 2.3 33.0 1.0 O A:HOH327 2.3 23.5 1.0 CG A:ASP44 3.3 23.0 1.0 C A:GLY45 3.3 26.2 1.0 C A:GLY47 3.4 39.6 1.0 N A:GLY47 3.6 34.3 1.0 MN A:MN201 3.7 30.8 1.0 O A:HOH407 3.8 54.3 1.0 OD2 A:ASP44 3.8 23.8 1.0 O A:HOH352 3.9 34.2 1.0 O A:HOH324 4.0 31.1 1.0 C A:LEU46 4.0 32.5 1.0 N A:GLY45 4.1 24.1 1.0 C A:ASP44 4.1 24.7 1.0 CA A:GLY47 4.1 37.3 1.0 O A:HOH325 4.2 39.2 1.0 N A:LEU46 4.2 27.0 1.0 CA A:LEU46 4.3 30.4 1.0 CA A:GLY45 4.3 25.4 1.0 OD1 A:ASP27 4.3 28.8 1.0 O A:ASP44 4.4 25.6 1.0 OD1 A:ASP189 4.5 28.9 1.0 N A:SER48 4.5 40.9 1.0 CB A:ASP44 4.5 25.2 1.0 OD2 A:ASP190 4.5 32.1 1.0 CA A:ASP44 4.6 24.6 1.0 O A:LEU46 4.6 34.3 1.0 CB A:ALA52 4.6 31.3 1.0 CA A:SER48 4.6 41.6 1.0 CB A:SER48 4.9 42.3 1.0 O A:GLY26 4.9 32.3 1.0 C A:GLY26 4.9 32.2 1.0

Manganese binding site 3 out of 4 in the Crystal Structure of Rsbx, Selenomethionine Derivative


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 Rsbx, Selenomethionine Derivative within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn201 b:29.5 occ:1.00 OD1 B:ASP156 2.1 29.9 1.0 OD2 B:ASP189 2.2 32.4 1.0 O B:HOH321 2.2 38.3 1.0 OD2 B:ASP44 2.2 32.5 1.0 O B:HOH323 2.3 28.0 1.0 O B:HOH322 2.4 27.3 1.0 CG B:ASP189 3.0 36.7 1.0 CG B:ASP156 3.1 32.8 1.0 CG B:ASP44 3.2 29.9 1.0 OD1 B:ASP189 3.3 39.4 1.0 OD2 B:ASP156 3.4 33.0 1.0 OD1 B:ASP44 3.4 30.5 1.0 O B:HOH325 3.8 28.8 1.0 MN B:MN202 3.8 37.2 1.0 O B:HOH385 4.1 43.6 1.0 O B:HOH355 4.2 48.0 1.0 N B:GLY157 4.3 33.9 1.0 O B:HOH328 4.4 29.9 1.0 OD1 B:ASP27 4.4 27.3 1.0 CB B:ASP189 4.4 38.6 1.0 CB B:ASP156 4.5 30.6 1.0 O B:ASP190 4.5 33.4 1.0 CB B:ASP44 4.5 27.4 1.0 O B:HOH324 4.6 26.1 1.0 N B:ASP156 4.6 30.1 1.0 C B:ASP156 4.7 32.2 1.0 O B:HOH333 4.8 30.6 1.0 CA B:ASP156 4.9 30.9 1.0

Manganese binding site 4 out of 4 in the Crystal Structure of Rsbx, Selenomethionine Derivative


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 Rsbx, Selenomethionine Derivative within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn202 b:37.2 occ:1.00 OD1 B:ASP44 2.1 30.5 1.0 O B:GLY47 2.1 44.5 1.0 O B:HOH321 2.2 38.3 1.0 O B:HOH324 2.2 26.1 1.0 O B:GLY45 2.3 30.9 1.0 O B:HOH325 2.5 28.8 1.0 CG B:ASP44 3.2 29.9 1.0 C B:GLY47 3.3 45.0 1.0 C B:GLY45 3.4 30.4 1.0 OD2 B:ASP44 3.7 32.5 1.0 N B:GLY47 3.8 40.4 1.0 MN B:MN201 3.8 29.5 1.0 C B:LEU46 4.0 37.6 1.0 O B:HOH363 4.0 31.4 1.0 O B:HOH355 4.0 48.0 1.0 CA B:GLY47 4.1 44.2 1.0 N B:GLY45 4.1 28.7 1.0 C B:ASP44 4.2 28.2 1.0 O B:HOH322 4.2 27.3 1.0 N B:LEU46 4.2 32.7 1.0 CA B:LEU46 4.2 35.6 1.0 N B:SER48 4.3 47.0 1.0 CA B:GLY45 4.3 29.3 1.0 O B:ASP44 4.4 28.5 1.0 CB B:ASP44 4.4 27.4 1.0 OD1 B:ASP27 4.5 27.3 1.0 O B:HOH323 4.5 28.0 1.0 OD1 B:ASP189 4.5 39.4 1.0 OG B:SER48 4.6 52.7 1.0 O B:LEU46 4.6 37.7 1.0 CA B:ASP44 4.6 27.9 1.0 CB B:ALA52 4.6 34.5 1.0 CA B:SER48 4.6 47.5 1.0 OD2 B:ASP190 4.6 34.6 1.0 O B:GLY26 4.7 34.1 1.0 C B:GLY26 4.9 34.5 1.0

M.Makino, A.H.Teh, T.Hoshino, S.Baba, N.Shimizu, M.Yamamoto, T.Kumasaka. Structural Basis For Di-Metal Coordination and Negative Feedback in General Stress Response By Rsbx Phosphatase From Bacillus Subtilis To Be Published.