Sodium in PDB 7q1r: A De Novo Designed Homo-Dimeric Antiparallel Coiled Coil Apcc-Di

The structure of A De Novo Designed Homo-Dimeric Antiparallel Coiled Coil Apcc-Di, PDB code: 7q1r was solved by S.Shanmugaratnam, G.G.Rhys, W.M.Dawson, D.N.Woolfson, B.Hocker, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	27.95 / 1.08
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	35.096, 35.096, 92.433, 90, 90, 90
R / Rfree (%)	18.9 / 21.7

The binding sites of Sodium atom in the A De Novo Designed Homo-Dimeric Antiparallel Coiled Coil Apcc-Di (pdb code 7q1r). 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 A De Novo Designed Homo-Dimeric Antiparallel Coiled Coil Apcc-Di, PDB code: 7q1r:

Sodium binding site 1 out of 1 in the A De Novo Designed Homo-Dimeric Antiparallel Coiled Coil Apcc-Di


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of A De Novo Designed Homo-Dimeric Antiparallel Coiled Coil Apcc-Di within 5.0Å range: probe atom residue distance (Å) B Occ A:Na102 b:19.5 occ:1.00 HZ3 A:LYS25 2.3 34.6 1.0 HD2 A:LYS25 2.9 66.0 1.0 NZ A:LYS25 3.2 28.8 1.0 HD2 A:ARG21 3.4 17.1 1.0 HH11 A:ARG21 3.5 21.8 1.0 NH1 A:ARG21 3.5 18.2 1.0 HZ1 A:LYS25 3.5 34.6 1.0 HZ2 A:LYS25 3.6 34.6 1.0 HH12 A:ARG21 3.7 21.8 1.0 CD A:LYS25 3.7 55.0 1.0 HE3 A:LYS25 3.7 27.6 1.0 CE A:LYS25 3.7 23.0 1.0 CZ A:ARG21 3.8 17.8 1.0 HD11 B:LEU108 4.1 21.7 1.0 NE A:ARG21 4.1 15.3 1.0 CD A:ARG21 4.2 14.2 1.0 HD3 A:LYS25 4.2 66.0 1.0 OD1 B:ASP112 4.2 14.7 1.0 NH2 A:ARG21 4.4 19.3 1.0 HD21 B:LEU108 4.5 21.5 1.0 HG2 A:ARG21 4.5 16.5 1.0 HH22 A:ARG21 4.6 23.1 1.0 HE A:ARG21 4.7 18.4 1.0 HE2 A:LYS25 4.7 27.6 1.0 HG2 A:LYS25 4.7 24.2 1.0 OD2 B:ASP112 4.8 14.5 1.0 CG A:LYS25 4.8 20.2 1.0 HH21 A:ARG21 4.9 23.1 1.0 HD3 A:ARG21 4.9 17.1 1.0 CG B:ASP112 4.9 15.0 1.0 CG A:ARG21 4.9 13.7 1.0

G.G.Rhys, J.A.Cross, W.M.Dawson, H.F.Thompson, S.Shanmugaratnam, N.J.Savery, M.P.Dodding, B.Hocker, D.N.Woolfson. De Novo Designed Peptides For Cellular Delivery and Subcellular Localisation. Nat.Chem.Biol. V. 18 999 2022.
ISSN: ESSN 1552-4469
PubMed: 35836017
DOI: 10.1038/S41589-022-01076-6