Manganese in PDB 5z5y: Crystal Structure of Cona-R4M

The structure of Crystal Structure of Cona-R4M, PDB code: 5z5y was solved by G.S.Chen, J.H.Gan, R.T.Hu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.00 / 1.89
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	61.600, 116.110, 58.690, 90.00, 90.00, 90.00
R / Rfree (%)	18.9 / 24.4

The structure of Crystal Structure of Cona-R4M also contains other interesting chemical elements:

Chlorine	(Cl)	1 atom
Calcium	(Ca)	2 atoms

The binding sites of Manganese atom in the Crystal Structure of Cona-R4M (pdb code 5z5y). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the Crystal Structure of Cona-R4M, PDB code: 5z5y:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the Crystal Structure of Cona-R4M


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-R4M within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn302 b:27.5 occ:1.00 OD2 A:ASP10 2.1 21.7 1.0 O A:HOH413 2.2 23.7 1.0 OD1 A:ASP19 2.2 23.4 1.0 OE2 A:GLU8 2.3 23.3 1.0 NE2 A:HIS24 2.3 27.8 1.0 O A:HOH414 2.4 25.2 1.0 CG A:ASP19 3.2 27.8 1.0 CG A:ASP10 3.2 19.2 1.0 CD A:GLU8 3.2 24.4 1.0 CD2 A:HIS24 3.3 27.2 1.0 CE1 A:HIS24 3.3 26.2 1.0 OE1 A:GLU8 3.5 23.3 1.0 OD2 A:ASP19 3.6 26.0 1.0 CB A:ASP10 3.6 21.3 1.0 O A:HOH437 3.9 21.0 1.0 OG A:SER34 4.1 23.8 1.0 CA A:CA303 4.2 24.7 1.0 OD1 A:ASP10 4.2 22.9 1.0 O A:HOH451 4.3 30.7 1.0 CB A:ASP19 4.4 27.1 1.0 ND1 A:HIS24 4.4 25.8 1.0 CG A:HIS24 4.5 25.7 1.0 CG A:GLU8 4.6 22.2 1.0 O A:VAL32 4.7 25.7 1.0 CA A:ASP19 4.7 29.5 1.0

Manganese binding site 2 out of 2 in the Crystal Structure of Cona-R4M


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-R4M within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn302 b:33.1 occ:1.00 O B:HOH418 2.0 34.5 1.0 OD2 B:ASP10 2.0 26.5 1.0 O B:HOH411 2.1 27.1 1.0 OE2 B:GLU8 2.3 30.4 1.0 NE2 B:HIS24 2.3 30.9 1.0 OD1 B:ASP19 2.4 30.5 1.0 CG B:ASP10 3.1 26.8 1.0 CG B:ASP19 3.2 33.6 1.0 CD B:GLU8 3.2 35.5 1.0 CE1 B:HIS24 3.2 31.6 1.0 CD2 B:HIS24 3.3 34.5 1.0 OE1 B:GLU8 3.5 31.3 1.0 CB B:ASP10 3.5 29.1 1.0 OD2 B:ASP19 3.6 30.1 1.0 O B:HOH415 4.0 31.3 1.0 CA B:CA303 4.1 33.3 1.0 OG B:SER34 4.2 26.6 1.0 OD1 B:ASP10 4.2 23.0 1.0 ND1 B:HIS24 4.4 34.0 1.0 CB B:ASP19 4.4 34.1 1.0 CG B:HIS24 4.5 32.0 1.0 CG B:GLU8 4.6 29.1 1.0 O B:VAL32 4.7 31.5 1.0 CA B:ASP19 4.7 36.3 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