Calcium in PDB 3fil: Structural and Energetic Determinants For Hyperstable Variants of GB1 Obtained From in-Vitro Evolution

The structure of Structural and Energetic Determinants For Hyperstable Variants of GB1 Obtained From in-Vitro Evolution, PDB code: 3fil was solved by K.E.A.Max, U.Heinemann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.47 / 0.88
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	29.694, 38.930, 83.326, 90.00, 90.00, 90.00
R / Rfree (%)	12.5 / 14.9

The binding sites of Calcium atom in the Structural and Energetic Determinants For Hyperstable Variants of GB1 Obtained From in-Vitro Evolution (pdb code 3fil). 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 Structural and Energetic Determinants For Hyperstable Variants of GB1 Obtained From in-Vitro Evolution, PDB code: 3fil:

Calcium binding site 1 out of 1 in the Structural and Energetic Determinants For Hyperstable Variants of GB1 Obtained From in-Vitro Evolution


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Structural and Energetic Determinants For Hyperstable Variants of GB1 Obtained From in-Vitro Evolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca240 b:15.0 occ:0.25 O A:HOH124 2.3 22.1 1.0 O B:HOH118 2.4 28.7 1.0 O A:HOH229 2.4 19.7 0.5 O B:HOH69 2.5 25.8 1.0 OD1 A:ASP36 2.7 15.1 1.0 OD2 A:ASP36 3.3 11.7 1.0 CG A:ASP36 3.3 11.1 1.0 O B:HOH122 3.9 23.5 1.0 O A:HOH229 4.0 32.5 0.5 O B:HOH135 4.1 20.3 1.0 O B:ASP36 4.2 9.5 1.0 OE1 A:GLN32 4.5 14.5 1.0 O A:HOH115 4.6 18.0 1.0 CB A:ASP36 4.6 9.1 1.0 O B:HOH138 4.9 24.6 1.0

S.Thoms, K.E.A.Max, M.Wunderlich, T.Jacso, H.Lilie, B.Reif, U.Heinemann, F.X.Schmid. Dimer Formation of A Stabilized GBETA1 Variant: A Structural and Energetic Analysis J.Mol.Biol. V. 391 918 2009.
ISSN: ISSN 0022-2836
PubMed: 19527728
DOI: 10.1016/J.JMB.2009.06.031