Manganese in PDB 4p9w: Structure of Cona/RH3MAN

The structure of Structure of Cona/RH3MAN, PDB code: 4p9w was solved by F.Sakai, M.S.Weiss, M.Jiang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.40 / 2.11
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	84.000, 116.030, 84.100, 90.00, 95.03, 90.00
R / Rfree (%)	17.3 / 20.2

The structure of Structure of Cona/RH3MAN also contains other interesting chemical elements:

Calcium

(Ca)

4 atoms

The binding sites of Manganese atom in the Structure of Cona/RH3MAN (pdb code 4p9w). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 4 binding sites of Manganese where determined in the Structure of Cona/RH3MAN, PDB code: 4p9w:
Jump to Manganese binding site number: 1; 2; 3; 4;

Manganese binding site 1 out of 4 in the Structure of Cona/RH3MAN


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Structure of Cona/RH3MAN within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn302 b:26.4 occ:1.00 OE2 A:GLU8 2.1 22.6 1.0 O A:HOH413 2.2 15.4 1.0 O A:HOH414 2.2 13.0 1.0 OD2 A:ASP10 2.2 24.4 1.0 NE2 A:HIS24 2.3 23.4 1.0 OD1 A:ASP19 2.3 26.4 1.0 CG A:ASP10 3.2 24.0 1.0 CG A:ASP19 3.2 27.2 1.0 CD A:GLU8 3.2 22.0 1.0 CD2 A:HIS24 3.2 23.6 1.0 CE1 A:HIS24 3.3 24.2 1.0 CB A:ASP10 3.5 22.9 1.0 OE1 A:GLU8 3.6 22.0 1.0 OD2 A:ASP19 3.6 26.1 1.0 O A:HOH415 3.8 6.7 1.0 OG A:SER34 4.1 22.4 1.0 CA A:CA303 4.2 19.2 1.0 OD1 A:ASP10 4.3 25.0 1.0 CB A:ASP19 4.3 30.1 1.0 ND1 A:HIS24 4.4 24.5 1.0 CG A:HIS24 4.4 24.5 1.0 CG A:GLU8 4.5 21.6 1.0 O A:VAL32 4.6 22.1 1.0 CA A:ASP19 4.7 31.8 1.0 CA A:ASP10 5.0 23.3 1.0

Manganese binding site 2 out of 4 in the Structure of Cona/RH3MAN


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Structure of Cona/RH3MAN within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn302 b:35.7 occ:1.00 O B:HOH406 2.0 5.4 1.0 OE2 B:GLU8 2.1 28.2 1.0 O B:HOH407 2.1 5.4 1.0 NE2 B:HIS24 2.2 30.0 1.0 OD1 B:ASP19 2.2 34.6 1.0 OD2 B:ASP10 2.3 33.5 1.0 CE1 B:HIS24 3.1 30.4 1.0 CG B:ASP19 3.1 35.0 1.0 CD2 B:HIS24 3.2 30.1 1.0 CD B:GLU8 3.2 27.7 1.0 CG B:ASP10 3.2 32.1 1.0 OD2 B:ASP19 3.5 34.5 1.0 CB B:ASP10 3.5 30.2 1.0 OE1 B:GLU8 3.6 27.7 1.0 O B:HOH408 3.9 8.9 1.0 CA B:CA303 4.1 31.5 1.0 ND1 B:HIS24 4.2 30.8 1.0 OD1 B:ASP10 4.3 32.9 1.0 CG B:HIS24 4.3 31.1 1.0 CB B:ASP19 4.3 37.1 1.0 OG B:SER34 4.3 31.8 1.0 CG B:GLU8 4.5 26.5 1.0 CA B:ASP19 4.6 38.2 1.0 O B:VAL32 4.6 28.5 1.0

Manganese binding site 3 out of 4 in the Structure of Cona/RH3MAN


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 3 of Structure of Cona/RH3MAN within 5.0Å range: probe atom residue distance (Å) B Occ C:Mn302 b:22.5 occ:1.00 O C:HOH405 1.7 7.5 1.0 OD2 C:ASP10 2.2 16.9 1.0 OE2 C:GLU8 2.3 18.5 1.0 OD1 C:ASP19 2.3 19.4 1.0 O C:HOH406 2.4 5.0 1.0 NE2 C:HIS24 2.4 21.0 1.0 CG C:ASP19 3.0 20.4 1.0 CD2 C:HIS24 3.2 21.0 1.0 CD C:GLU8 3.2 18.0 1.0 CG C:ASP10 3.3 16.9 1.0 OD2 C:ASP19 3.4 19.4 1.0 CE1 C:HIS24 3.5 21.1 1.0 OE1 C:GLU8 3.5 17.9 1.0 CB C:ASP10 3.7 17.1 1.0 O C:HOH407 3.9 6.5 1.0 CA C:CA303 4.1 18.8 1.0 OG C:SER34 4.2 19.3 1.0 CB C:ASP19 4.2 22.5 1.0 O C:HOH453 4.3 27.5 1.0 OD1 C:ASP10 4.3 16.9 1.0 CG C:HIS24 4.4 21.4 1.0 ND1 C:HIS24 4.5 21.4 1.0 CA C:ASP19 4.6 24.6 1.0 CG C:GLU8 4.6 17.6 1.0 O C:VAL32 4.7 21.6 1.0

Manganese binding site 4 out of 4 in the Structure of Cona/RH3MAN


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 4 of Structure of Cona/RH3MAN within 5.0Å range: probe atom residue distance (Å) B Occ D:Mn302 b:25.8 occ:1.00 OD2 D:ASP10 1.9 20.3 1.0 O D:HOH403 2.0 19.6 1.0 O D:HOH408 2.3 20.8 1.0 OE2 D:GLU8 2.3 26.0 1.0 OD1 D:ASP19 2.4 22.1 1.0 NE2 D:HIS24 2.4 24.1 1.0 CG D:ASP10 3.0 20.6 1.0 CE1 D:HIS24 3.0 24.0 1.0 CG D:ASP19 3.1 22.9 1.0 CD D:GLU8 3.3 25.2 1.0 OD2 D:ASP19 3.4 22.3 1.0 CB D:ASP10 3.5 20.8 1.0 OE1 D:GLU8 3.6 24.4 1.0 CD2 D:HIS24 3.6 23.7 1.0 O D:HOH410 3.9 22.1 1.0 CA D:CA303 4.0 20.1 1.0 OD1 D:ASP10 4.1 20.6 1.0 ND1 D:HIS24 4.3 24.1 1.0 CB D:ASP19 4.3 24.6 1.0 OG D:SER34 4.3 23.7 1.0 CG D:HIS24 4.6 24.8 1.0 CG D:GLU8 4.6 23.4 1.0 O D:VAL32 4.7 25.7 1.0 CA D:ASP19 4.7 26.2 1.0

G.Chen, F.Sakai, M.S.Weiss. Structure of Cona/RH3MAN To Be Published.