Sodium in PDB 8a3g: X-Ray Crystal Structure of A De Novo Designed Antiparallel Coiled-Coil Homotetramer with 4 Heptad Repeats, Apcc-Tet*

The structure of X-Ray Crystal Structure of A De Novo Designed Antiparallel Coiled-Coil Homotetramer with 4 Heptad Repeats, Apcc-Tet*, PDB code: 8a3g was solved by E.A.Naudin, B.Mylemans, K.I.Albanese, D.N.Woolfson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	26.86 / 0.96
Space group	P 42 21 2
Cell size a, b, c (Å), α, β, γ (°)	34.015, 34.015, 87.534, 90, 90, 90
R / Rfree (%)	16 / 16.9

The binding sites of Sodium atom in the X-Ray Crystal Structure of A De Novo Designed Antiparallel Coiled-Coil Homotetramer with 4 Heptad Repeats, Apcc-Tet* (pdb code 8a3g). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total only one binding site of Sodium was determined in the X-Ray Crystal Structure of A De Novo Designed Antiparallel Coiled-Coil Homotetramer with 4 Heptad Repeats, Apcc-Tet*, PDB code: 8a3g:

Sodium binding site 1 out of 1 in the X-Ray Crystal Structure of A De Novo Designed Antiparallel Coiled-Coil Homotetramer with 4 Heptad Repeats, Apcc-Tet*


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of X-Ray Crystal Structure of A De Novo Designed Antiparallel Coiled-Coil Homotetramer with 4 Heptad Repeats, Apcc-Tet* within 5.0Å range: probe atom residue distance (Å) B Occ A:Na102 b:19.6 occ:1.00 O A:ACT101 2.8 25.4 1.0 O A:HOH219 2.9 11.2 1.0 N A:LEU3 3.0 8.6 1.0 N A:GLN2 3.3 12.2 1.0 CG A:LEU3 3.5 10.4 1.0 CB A:LEU3 3.5 9.0 1.0 C A:ACT101 3.5 32.2 1.0 OXT A:ACT101 3.7 35.0 1.0 CA A:LEU3 3.8 8.2 1.0 C A:GLN2 3.9 9.3 1.0 CG A:GLN2 3.9 21.9 1.0 CA A:GLN2 3.9 12.5 1.0 C A:GLY1 4.0 12.5 1.0 CD1 A:LEU3 4.3 12.8 1.0 CB A:GLN2 4.4 16.3 1.0 CA A:GLY1 4.4 15.8 1.0 CD2 A:LEU3 4.7 12.1 1.0 N A:GLU4 4.7 8.0 1.0 O A:GLY1 4.8 11.5 1.0 C A:LEU3 4.8 7.6 1.0 CB B:ALA28 4.9 11.8 1.0

E.A.Naudin, K.I.Albanese, A.J.Smith, B.Mylemans, E.G.Baker, O.D.Weiner, D.M.Andrews, N.Tigue, N.J.Savery, D.N.Woolfson. From Peptides to Proteins: Coiled-Coil Tetramers to Single-Chain 4-Helix Bundles. Chem Sci V. 13 11330 2022.
ISSN: ISSN 2041-6520
PubMed: 36320580
DOI: 10.1039/D2SC04479J