Calcium 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:

Manganese	(Mn)	2 atoms
Chlorine	(Cl)	1 atom

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

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


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of Cona-R4M within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca303 b:24.7 occ:1.00 OD1 A:ASN14 2.3 24.4 1.0 OD2 A:ASP19 2.4 26.0 1.0 O A:HOH417 2.4 22.1 1.0 O A:TYR12 2.4 23.0 1.0 OD1 A:ASP10 2.4 22.9 1.0 O A:HOH437 2.5 21.0 1.0 OD2 A:ASP10 2.5 21.7 1.0 CG A:ASP10 2.8 19.2 1.0 CG A:ASN14 3.5 24.6 1.0 CG A:ASP19 3.5 27.8 1.0 C A:TYR12 3.6 25.3 1.0 OD1 A:ASP19 3.9 23.4 1.0 N A:ASN14 3.9 24.0 1.0 CB A:ASN14 4.1 26.5 1.0 MN A:MN302 4.2 27.5 1.0 CB A:ASP10 4.3 21.3 1.0 CA A:TYR12 4.4 25.6 1.0 N A:TYR12 4.5 25.6 1.0 CB A:TYR12 4.5 25.4 1.0 O A:HOH414 4.5 25.2 1.0 C A:PRO13 4.6 27.9 1.0 N A:PRO13 4.6 28.5 1.0 CA A:PRO13 4.6 29.5 1.0 ND2 A:ASN14 4.6 24.4 1.0 O A:ASP208 4.6 19.5 1.0 OD1 A:ASP208 4.6 19.5 1.0 CE1 A:HIS24 4.7 26.2 1.0 CA A:ASN14 4.7 25.1 1.0 CB A:ARG228 4.7 24.8 1.0 CB A:ASP19 4.8 27.1 1.0 CD1 A:TYR12 4.8 25.6 1.0 CA A:ARG228 4.8 23.2 1.0 NE2 A:HIS24 4.9 27.8 1.0 O A:ARG228 4.9 25.2 1.0

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


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure of Cona-R4M within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca303 b:33.3 occ:1.00 O B:HOH421 2.3 28.2 1.0 O B:HOH415 2.4 31.3 1.0 O B:TYR12 2.4 35.6 1.0 OD1 B:ASP10 2.4 23.0 1.0 OD1 B:ASN14 2.4 38.3 1.0 OD2 B:ASP19 2.4 30.1 1.0 OD2 B:ASP10 2.5 26.5 1.0 CG B:ASP10 2.8 26.8 1.0 CG B:ASN14 3.6 39.4 1.0 CG B:ASP19 3.6 33.6 1.0 C B:TYR12 3.6 36.7 1.0 N B:ASN14 4.0 37.8 1.0 OD1 B:ASP19 4.1 30.5 1.0 CB B:ASN14 4.1 36.7 1.0 MN B:MN302 4.1 33.1 1.0 CB B:ASP10 4.3 29.1 1.0 CA B:TYR12 4.4 37.7 1.0 N B:TYR12 4.5 35.4 1.0 O B:HOH411 4.5 27.1 1.0 CB B:TYR12 4.5 38.4 1.0 N B:PRO13 4.6 37.5 1.0 CE1 B:HIS24 4.6 31.6 1.0 ND2 B:ASN14 4.7 35.5 1.0 CA B:PRO13 4.7 36.9 1.0 O B:ARG228 4.7 32.6 1.0 OD1 B:ASP208 4.7 32.7 1.0 C B:PRO13 4.7 40.1 1.0 O B:ASP208 4.7 28.2 1.0 CA B:ASN14 4.7 38.3 1.0 CB B:ASP19 4.8 34.1 1.0 CB B:ARG228 4.9 31.6 1.0 NE2 B:HIS24 5.0 30.9 1.0 CA B:ARG228 5.0 29.2 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