Calcium in PDB 4r6g: Crystal Structure of Computational Designed Leucine Rich Repeats DLRR_K in Space Group P22121

The structure of Crystal Structure of Computational Designed Leucine Rich Repeats DLRR_K in Space Group P22121, PDB code: 4r6g was solved by B.W.Shen, B.L.Stoddard, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 2.80
Space group	P 2 21 21
Cell size a, b, c (Å), α, β, γ (°)	36.868, 93.369, 126.237, 90.00, 90.00, 90.00
R / Rfree (%)	20.8 / 28.5

The binding sites of Calcium atom in the Crystal Structure of Computational Designed Leucine Rich Repeats DLRR_K in Space Group P22121 (pdb code 4r6g). 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 Crystal Structure of Computational Designed Leucine Rich Repeats DLRR_K in Space Group P22121, PDB code: 4r6g:

Calcium binding site 1 out of 1 in the Crystal Structure of Computational Designed Leucine Rich Repeats DLRR_K in Space Group P22121


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 Computational Designed Leucine Rich Repeats DLRR_K in Space Group P22121 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca501 b:42.9 occ:1.00 O A:HOH615 2.2 44.5 1.0 O A:HOH614 2.4 17.1 1.0 OD1 A:ASP15 2.4 25.3 1.0 O A:PRO13 2.5 23.3 1.0 O A:HOH613 2.5 37.0 1.0 C A:PRO13 3.6 22.8 1.0 CG A:ASP15 3.7 24.6 1.0 CA A:PRO13 4.1 22.8 1.0 OD2 A:ASP15 4.3 25.5 1.0 N A:ASP15 4.4 22.3 1.0 O A:HOH612 4.6 13.7 1.0 CA A:ASP15 4.7 22.4 1.0 N A:ASP14 4.7 22.2 1.0 O A:PHE12 4.8 21.4 1.0 CB A:ASP15 4.8 23.2 1.0 C A:ASP14 4.9 21.9 1.0 O A:LYS9 4.9 25.7 1.0 CB A:PRO13 5.0 23.1 1.0

K.Park, B.W.Shen, F.Parmeggiani, P.S.Huang, B.L.Stoddard, D.Baker. Control of Repeat-Protein Curvature By Computational Protein Design. Nat.Struct.Mol.Biol. 2015.
ISSN: ESSN 1545-9985
PubMed: 25580576
DOI: 10.1038/NSMB.2938