Calcium in PDB 6apg: Trans-Acting Transferase From Disorazole Synthase with Malonate

The structure of Trans-Acting Transferase From Disorazole Synthase with Malonate, PDB code: 6apg was solved by I.I.Mathews, A.Y.Lyubimov, S.M.Soltis, C.Khosla, T.Robbins, A.E.Cohen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.20 / 2.00
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	104.670, 104.670, 138.630, 90.00, 90.00, 90.00
R / Rfree (%)	18.4 / 19.9

The binding sites of Calcium atom in the Trans-Acting Transferase From Disorazole Synthase with Malonate (pdb code 6apg). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total only one binding site of Calcium was determined in the Trans-Acting Transferase From Disorazole Synthase with Malonate, PDB code: 6apg:

Calcium binding site 1 out of 1 in the Trans-Acting Transferase From Disorazole Synthase with Malonate


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Trans-Acting Transferase From Disorazole Synthase with Malonate within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca304 b:23.1 occ:1.00 O B:TYR209 2.7 24.9 1.0 O B:GLU207 2.7 23.4 1.0 O A:GLU207 2.7 23.6 1.0 O A:TYR209 2.7 24.2 1.0 OD1 A:ASP210 2.8 29.1 1.0 OD1 B:ASP210 2.8 30.5 1.0 C A:TYR209 3.5 24.6 1.0 C B:TYR209 3.5 25.1 1.0 CG A:ASP210 3.8 28.9 1.0 CG B:ASP210 3.9 29.6 1.0 C B:GLU207 3.9 23.1 1.0 C A:GLU207 3.9 23.0 1.0 NH2 A:ARG233 4.0 20.8 1.0 NH2 B:ARG233 4.0 22.4 1.0 N A:TYR209 4.0 24.2 1.0 N B:TYR209 4.1 24.5 1.0 C B:GLY208 4.1 24.6 1.0 C A:GLY208 4.1 24.6 1.0 N A:ASP210 4.2 25.1 1.0 N B:ASP210 4.3 25.7 1.0 O B:GLY208 4.3 25.5 1.0 CA A:TYR209 4.3 24.2 1.0 CA B:TYR209 4.4 24.6 1.0 CA A:ASP210 4.4 26.1 1.0 CA B:ASP210 4.4 26.5 1.0 O A:GLY208 4.5 25.7 1.0 CA A:GLY208 4.5 24.3 1.0 CA B:GLY208 4.6 24.2 1.0 OD2 A:ASP210 4.6 30.7 1.0 N A:GLY208 4.6 23.5 1.0 N B:GLY208 4.7 23.4 1.0 OD2 B:ASP210 4.7 31.3 1.0 CB A:ASP210 4.7 27.2 1.0 CB B:ASP210 4.7 27.8 1.0 O B:HOH425 4.7 51.4 1.0 CA B:GLU207 4.9 22.4 1.0 CA A:GLU207 4.9 22.1 1.0 CZ A:ARG233 5.0 20.5 1.0 CZ B:ARG233 5.0 22.1 1.0

I.I.Mathews, K.Allison, T.Robbins, A.Y.Lyubimov, M.Uervirojnangkoorn, A.T.Brunger, C.Khosla, H.Demirci, S.E.Mcphillips, M.Hollenbeck, M.Soltis, A.E.Cohen. The Conformational Flexibility of the Acyltransferase From the Disorazole Polyketide Synthase Is Revealed By An X-Ray Free-Electron Laser Using A Room-Temperature Sample Delivery Method For Serial Crystallography. Biochemistry V. 56 4751 2017.
ISSN: ISSN 1520-4995
PubMed: 28832129
DOI: 10.1021/ACS.BIOCHEM.7B00711