Calcium in PDB 6hm3: Crystal Structure of RAD4 BRCT1,2 in Complex with A SLD3 Phosphopeptide

The structure of Crystal Structure of RAD4 BRCT1,2 in Complex with A SLD3 Phosphopeptide, PDB code: 6hm3 was solved by M.Day, M.Rappas, A.W.Oliver, L.H.Pearl, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.20 / 1.77
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	39.400, 59.170, 120.430, 90.00, 90.00, 90.00
R / Rfree (%)	19.2 / 22.8

The binding sites of Calcium atom in the Crystal Structure of RAD4 BRCT1,2 in Complex with A SLD3 Phosphopeptide (pdb code 6hm3). 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 RAD4 BRCT1,2 in Complex with A SLD3 Phosphopeptide, PDB code: 6hm3:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of RAD4 BRCT1,2 in Complex with A SLD3 Phosphopeptide


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 RAD4 BRCT1,2 in Complex with A SLD3 Phosphopeptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca203 b:48.4 occ:1.00 O A:HOH440 2.6 41.6 1.0 O A:ALA49 2.8 25.7 1.0 N A:SER72 3.0 27.8 1.0 O A:HOH435 3.3 52.7 1.0 OG A:SER72 3.5 34.0 1.0 CB A:SER72 3.5 33.6 1.0 CD1 A:LEU99 3.6 28.2 1.0 CA A:SER71 3.7 27.0 1.0 C A:SER71 3.8 29.3 1.0 CA A:SER72 3.9 32.1 1.0 C A:ALA49 3.9 22.8 1.0 CA A:GLY50 4.0 26.4 1.0 CB A:SER71 4.0 34.7 1.0 CZ A:PHE103 4.3 34.2 1.0 N A:GLY50 4.4 25.1 1.0 CE2 A:PHE103 4.5 32.5 1.0 O A:MET70 4.7 25.8 1.0 CE1 A:PHE103 4.9 35.0 1.0 CG A:LEU99 5.0 26.5 1.0 N A:SER71 5.0 21.9 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of RAD4 BRCT1,2 in Complex with A SLD3 Phosphopeptide


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 RAD4 BRCT1,2 in Complex with A SLD3 Phosphopeptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca204 b:41.8 occ:1.00 O A:HOH424 3.0 44.6 1.0 NE2 A:GLN170 3.0 28.1 0.3 NE2 A:GLN170 3.2 23.0 0.7 CG A:GLU166 3.6 24.9 1.0 CG A:GLN170 3.8 23.3 0.7 CB A:TRP169 3.8 21.3 1.0 CD1 A:TRP169 3.8 24.4 1.0 CD A:GLN170 4.0 26.0 0.3 CD A:GLN170 4.0 24.6 0.7 CG A:GLN170 4.0 23.8 0.3 CB A:GLU166 4.1 24.9 1.0 CG A:TRP169 4.2 20.6 1.0 CA A:GLU166 4.3 23.0 1.0 O A:GLU166 4.6 19.4 1.0 N A:GLN170 4.8 19.3 1.0 CD A:GLU166 5.0 30.4 1.0 C A:GLU166 5.0 22.6 1.0

M.Day, M.Rappas, K.Ptasinska, D.Boos, A.W.Oliver, L.H.Pearl. Brct Domains of the Dna Damage Checkpoint Proteins TOPBP1/RAD4 Display Distinct Specificities For Phosphopeptide Ligands. Elife V. 7 2018.
ISSN: ESSN 2050-084X
PubMed: 30295604
DOI: 10.7554/ELIFE.39979