Manganese in PDB 5zac: Crystal Structure of Cona-R2M

The structure of Crystal Structure of Cona-R2M, PDB code: 5zac was solved by J.H.Gan, G.S.Chen, R.T.Hu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 2.59
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	64.227, 119.893, 125.211, 90.00, 90.00, 90.00
R / Rfree (%)	27.8 / 37.2

The structure of Crystal Structure of Cona-R2M also contains other interesting chemical elements:

Calcium

(Ca)

6 atoms

The binding sites of Manganese atom in the Crystal Structure of Cona-R2M (pdb code 5zac). 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 Cona-R2M, PDB code: 5zac:
Jump to Manganese binding site number: 1; 2; 3; 4;

Manganese binding site 1 out of 4 in the Crystal Structure of Cona-R2M


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 Cona-R2M within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn301 b:43.8 occ:1.00 OD2 A:ASP10 1.9 22.3 1.0 O A:HOH404 2.0 26.6 1.0 OD1 A:ASP19 2.1 40.6 1.0 OE2 A:GLU8 2.4 16.4 1.0 NE2 A:HIS24 2.7 27.8 1.0 CG A:ASP10 3.0 23.5 1.0 CG A:ASP19 3.0 41.0 1.0 CD A:GLU8 3.1 16.6 1.0 OE1 A:GLU8 3.2 17.2 1.0 OD2 A:ASP19 3.4 39.0 1.0 CE1 A:HIS24 3.5 28.2 1.0 CB A:ASP10 3.7 22.8 1.0 CD2 A:HIS24 3.7 27.6 1.0 OD1 A:ASP10 3.9 25.4 1.0 OG A:SER34 4.2 27.1 1.0 CA A:CA302 4.3 32.7 1.0 CB A:ASP19 4.3 42.4 1.0 CG A:GLU8 4.4 16.7 1.0 ND1 A:HIS24 4.6 28.3 1.0 O A:VAL32 4.6 26.7 1.0 CG A:HIS24 4.7 27.3 1.0 CA A:ASP19 4.8 43.6 1.0

Manganese binding site 2 out of 4 in the Crystal Structure of Cona-R2M


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 Cona-R2M within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn301 b:39.9 occ:1.00 OD1 B:ASP19 2.2 41.8 1.0 OD2 B:ASP10 2.3 19.2 1.0 O B:HOH412 2.3 28.1 1.0 OE2 B:GLU8 2.5 20.8 1.0 NE2 B:HIS24 2.7 36.0 1.0 O B:HOH419 2.9 26.1 1.0 CG B:ASP19 3.1 37.9 1.0 CG B:ASP10 3.2 19.2 1.0 CD B:GLU8 3.3 20.6 1.0 OD2 B:ASP19 3.4 35.1 1.0 CE1 B:HIS24 3.6 36.0 1.0 OE1 B:GLU8 3.6 22.4 1.0 CD2 B:HIS24 3.7 37.0 1.0 CB B:ASP10 3.9 19.5 1.0 OD1 B:ASP10 4.1 18.2 1.0 CA B:CA302 4.1 25.3 1.0 CB B:ASP19 4.3 39.0 1.0 O B:VAL32 4.6 24.9 1.0 OG B:SER34 4.6 26.8 1.0 CG B:GLU8 4.6 19.9 1.0 CA B:ASP19 4.7 38.7 1.0 ND1 B:HIS24 4.8 37.7 1.0 CG B:HIS24 4.8 35.6 1.0

Manganese binding site 3 out of 4 in the Crystal Structure of Cona-R2M


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 Cona-R2M within 5.0Å range: probe atom residue distance (Å) B Occ C:Mn301 b:35.7 occ:1.00 OD2 C:ASP10 1.8 20.3 1.0 OE2 C:GLU8 2.0 18.9 1.0 OD1 C:ASP19 2.1 30.1 1.0 O C:HOH409 2.4 14.6 1.0 NE2 C:HIS24 2.6 18.2 1.0 CG C:ASP10 2.8 19.9 1.0 CD C:GLU8 2.9 17.8 1.0 O C:HOH414 3.0 28.0 1.0 CG C:ASP19 3.2 30.6 1.0 OE1 C:GLU8 3.4 16.9 1.0 CD2 C:HIS24 3.5 18.0 1.0 CB C:ASP10 3.5 21.2 1.0 CE1 C:HIS24 3.5 18.3 1.0 OD2 C:ASP19 3.7 25.6 1.0 OD1 C:ASP10 3.7 18.6 1.0 OG C:SER34 3.8 24.5 1.0 O C:HOH435 3.8 22.7 1.0 CG C:GLU8 4.0 17.8 1.0 CA C:CA302 4.1 33.2 1.0 CB C:ASP19 4.4 32.3 1.0 O C:VAL32 4.5 20.6 1.0 CA C:ASP19 4.6 33.3 1.0 ND1 C:HIS24 4.6 18.1 1.0 CG C:HIS24 4.6 18.5 1.0 CB C:SER34 5.0 24.1 1.0 CA C:ASP10 5.0 21.7 1.0

Manganese binding site 4 out of 4 in the Crystal Structure of Cona-R2M


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 Cona-R2M within 5.0Å range: probe atom residue distance (Å) B Occ D:Mn301 b:35.9 occ:1.00 OD2 D:ASP10 1.8 19.1 1.0 OD1 D:ASP19 2.1 28.1 1.0 O D:HOH422 2.4 11.5 1.0 OE2 D:GLU8 2.5 22.9 1.0 NE2 D:HIS24 2.7 26.3 1.0 O D:HOH439 2.8 35.2 1.0 CG D:ASP10 2.9 18.6 1.0 OE1 D:GLU8 3.2 21.8 1.0 CG D:ASP19 3.2 29.7 1.0 CD D:GLU8 3.2 21.8 1.0 CD2 D:HIS24 3.4 25.6 1.0 CB D:ASP10 3.6 19.6 1.0 OD2 D:ASP19 3.7 24.6 1.0 OD1 D:ASP10 3.8 16.4 1.0 CE1 D:HIS24 3.8 26.4 1.0 OG D:SER34 3.8 25.9 1.0 CA D:CA302 3.9 27.6 1.0 O D:VAL32 4.5 20.4 1.0 CB D:ASP19 4.5 30.2 1.0 CG D:HIS24 4.6 24.8 1.0 CG D:GLU8 4.7 21.1 1.0 CA D:ASP19 4.7 30.1 1.0 ND1 D:HIS24 4.8 27.2 1.0 CB D:SER34 4.9 24.9 1.0

R.T.Hu, G.Yang, H.M.Ding, J.B.Ma, Y.Q.Ma, J.H.Gan, G.S.Chen. Competition Between Supramolecular Interaction and Protein-Protein Interaction in Protein Crystallization:Effects of Crystallization Method and Small Molecular Bridge Ind Eng Chem Res V. 57 6726 2018.
ISSN: ISSN 0888-5885
DOI: 10.1021/ACS.IECR.8B00657