Calcium in PDB 7jrh: X-Ray Crystal Structure of A Cyclic Peptide Containing Medin(19-25) and Medin(31-37)

The structure of X-Ray Crystal Structure of A Cyclic Peptide Containing Medin(19-25) and Medin(31-37), PDB code: 7jrh was solved by M.Wierzbicki, W.J.Howitz, J.S.Nowick, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.04 / 1.32
Space group	I 2 3
Cell size a, b, c (Å), α, β, γ (°)	42.486, 42.486, 42.486, 90.00, 90.00, 90.00
R / Rfree (%)	17.7 / 21

The binding sites of Calcium atom in the X-Ray Crystal Structure of A Cyclic Peptide Containing Medin(19-25) and Medin(31-37) (pdb code 7jrh). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the X-Ray Crystal Structure of A Cyclic Peptide Containing Medin(19-25) and Medin(31-37), PDB code: 7jrh:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the X-Ray Crystal Structure of A Cyclic Peptide Containing Medin(19-25) and Medin(31-37)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of X-Ray Crystal Structure of A Cyclic Peptide Containing Medin(19-25) and Medin(31-37) within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca101 b:17.4 occ:0.33 OD1 A:ASP7 2.3 21.1 1.0 O A:HOH210 2.4 36.2 1.0 CG A:ASP7 3.2 27.6 1.0 OD2 A:ASP7 3.4 32.8 1.0 CB A:ASP7 4.6 16.0 1.0 C A:ASP7 4.6 16.7 1.0 O A:ASP7 4.7 16.9 1.0 NE A:ORN8 4.9 16.9 1.0 CA A:ASP7 4.9 14.9 1.0

Calcium binding site 2 out of 2 in the X-Ray Crystal Structure of A Cyclic Peptide Containing Medin(19-25) and Medin(31-37)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of X-Ray Crystal Structure of A Cyclic Peptide Containing Medin(19-25) and Medin(31-37) within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca102 b:27.8 occ:0.33 OD2 A:ASP1 2.2 24.4 1.0 O A:HOH209 2.5 20.6 0.3 OD1 A:ASP1 2.5 20.5 1.0 CG A:ASP1 2.6 29.4 1.0 CB A:ASP1 4.1 21.2 1.0 O A:HOH207 4.1 27.6 0.3 O A:HOH203 4.3 24.5 1.0 CA A:ASP1 4.9 21.5 1.0 N A:ASP1 5.0 20.8 1.0

W.J.Howitz, M.Wierzbicki, R.W.Cabanela, C.Saliba, A.Motavalli, N.Tran, J.S.Nowick. Interpenetrating Cubes in the X-Ray Crystallographic Structure of A Peptide Derived From Medin 19-36 . J.Am.Chem.Soc. V. 142 15870 2020.
ISSN: ESSN 1520-5126
PubMed: 32816461
DOI: 10.1021/JACS.0C06143