Calcium in PDB 6sfc: Eed in Complex with A Methyl-Thiazole

The structure of Eed in Complex with A Methyl-Thiazole, PDB code: 6sfc was solved by J.A.Read, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.59 / 2.00
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	86.000, 86.180, 97.180, 90.00, 90.00, 90.00
R / Rfree (%)	19.2 / 22.8

The binding sites of Calcium atom in the Eed in Complex with A Methyl-Thiazole (pdb code 6sfc). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Eed in Complex with A Methyl-Thiazole, PDB code: 6sfc:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Eed in Complex with A Methyl-Thiazole


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Eed in Complex with A Methyl-Thiazole within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca501 b:0.2 occ:1.00 O A:HOH703 2.3 46.8 1.0 OD2 A:ASP341 2.4 58.5 1.0 CA A:CA502 2.6 0.5 1.0 O A:HOH842 2.8 57.2 1.0 CG A:ASP341 3.6 50.1 1.0 O A:HOH783 3.7 45.0 1.0 CB A:ASP341 4.2 44.3 1.0 OD1 A:ASP341 4.6 47.7 1.0 O A:HOH835 4.8 49.5 1.0 OE1 A:GLU249 5.0 34.6 1.0 OD1 A:ASP339 5.0 52.0 1.0

Calcium binding site 2 out of 2 in the Eed in Complex with A Methyl-Thiazole


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Eed in Complex with A Methyl-Thiazole within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca502 b:0.5 occ:1.00 CA A:CA501 2.6 0.2 1.0 OD2 A:ASP341 2.6 58.5 1.0 O A:HOH842 2.9 57.2 1.0 O A:HOH783 2.9 45.0 1.0 CG A:ASP341 3.5 50.1 1.0 OD1 A:ASP339 3.5 52.0 1.0 OD2 A:ASP317 3.8 58.8 1.0 CG2 A:ILE340 3.8 44.2 1.0 OD1 A:ASP317 3.9 47.4 1.0 CB A:ASP341 4.1 44.3 1.0 CG A:ASP317 4.2 49.6 1.0 OD1 A:ASP341 4.3 47.7 1.0 O A:HOH703 4.3 46.8 1.0 CG A:ASP339 4.3 54.2 1.0 OD2 A:ASP339 4.3 66.9 1.0 N A:ASP341 4.5 40.6 1.0 O A:HOH686 4.9 42.7 1.0 CA A:ASP341 4.9 42.0 1.0

J.A.Read, J.Tart, P.B.Rawlins, C.Gregson, K.Jones, N.Gao, X.Zhu, R.Tomlinson, E.Code, T.Cheung, H.Chen, S.P.Kawatkar, A.Bloecher, S.Bagal, D.H.O'donovan, J.Robinson. Rapid Identification of Novel Allosteric PRC2 Inhibitors. Acs Chem.Biol. V. 14 2134 2019.
ISSN: ESSN 1554-8937
PubMed: 31525019
DOI: 10.1021/ACSCHEMBIO.9B00468