Sodium in PDB 9gf4: This Peptide Is A Variant of the Previously Designed De Novo Heptameric Coiled-Coil, Cc-Hept-IV, Which Consists of 4 Heptad Repeats. We Have Denoted This De Novo Peptide Cc-Hept-IV-HEN2 As It Includes A Noncanonical, Hendecad Repeat Which Replaces the Second Heptad Repeat in the Original Cc-Hept-IV Sequence.

The structure of This Peptide Is A Variant of the Previously Designed De Novo Heptameric Coiled-Coil, Cc-Hept-IV, Which Consists of 4 Heptad Repeats. We Have Denoted This De Novo Peptide Cc-Hept-IV-HEN2 As It Includes A Noncanonical, Hendecad Repeat Which Replaces the Second Heptad Repeat in the Original Cc-Hept-IV Sequence., PDB code: 9gf4 was solved by K.W.Kurgan, F.J.O.Martin, D.N.Woolfson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.67 / 1.49
Space group	P 2 21 21
Cell size a, b, c (Å), α, β, γ (°)	38.546, 47.919, 153.02, 90, 90, 90
R / Rfree (%)	15.1 / 17.5

The binding sites of Sodium atom in the This Peptide Is A Variant of the Previously Designed De Novo Heptameric Coiled-Coil, Cc-Hept-IV, Which Consists of 4 Heptad Repeats. We Have Denoted This De Novo Peptide Cc-Hept-IV-HEN2 As It Includes A Noncanonical, Hendecad Repeat Which Replaces the Second Heptad Repeat in the Original Cc-Hept-IV Sequence. (pdb code 9gf4). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 2 binding sites of Sodium where determined in the This Peptide Is A Variant of the Previously Designed De Novo Heptameric Coiled-Coil, Cc-Hept-IV, Which Consists of 4 Heptad Repeats. We Have Denoted This De Novo Peptide Cc-Hept-IV-HEN2 As It Includes A Noncanonical, Hendecad Repeat Which Replaces the Second Heptad Repeat in the Original Cc-Hept-IV Sequence., PDB code: 9gf4:
Jump to Sodium binding site number: 1; 2;

Sodium binding site 1 out of 2 in the This Peptide Is A Variant of the Previously Designed De Novo Heptameric Coiled-Coil, Cc-Hept-IV, Which Consists of 4 Heptad Repeats. We Have Denoted This De Novo Peptide Cc-Hept-IV-HEN2 As It Includes A Noncanonical, Hendecad Repeat Which Replaces the Second Heptad Repeat in the Original Cc-Hept-IV Sequence.


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of This Peptide Is A Variant of the Previously Designed De Novo Heptameric Coiled-Coil, Cc-Hept-IV, Which Consists of 4 Heptad Repeats. We Have Denoted This De Novo Peptide Cc-Hept-IV-HEN2 As It Includes A Noncanonical, Hendecad Repeat Which Replaces the Second Heptad Repeat in the Original Cc-Hept-IV Sequence. within 5.0Å range: probe atom residue distance (Å) B Occ C:Na101 b:59.8 occ:1.00 OE2 C:GLU27 3.3 33.4 1.0 NE2 A:GLN30 3.5 44.5 1.0 CD C:GLU27 3.8 25.4 1.0 CB A:LYS26 3.9 20.9 1.0 OE1 C:GLU27 3.9 28.0 1.0 CG A:LYS26 4.0 23.7 1.0 CD A:LYS26 4.2 27.7 1.0 CG A:GLN30 4.2 31.0 1.0 CD A:GLN30 4.2 38.3 1.0 O A:LYS26 4.4 19.9 1.0 CA A:LYS26 4.5 18.2 1.0 NZ A:LYS26 4.6 36.8 1.0 C A:LYS26 4.8 18.9 1.0 CG C:GLU27 4.9 21.4 1.0 CE A:LYS26 5.0 32.6 1.0

Sodium binding site 2 out of 2 in the This Peptide Is A Variant of the Previously Designed De Novo Heptameric Coiled-Coil, Cc-Hept-IV, Which Consists of 4 Heptad Repeats. We Have Denoted This De Novo Peptide Cc-Hept-IV-HEN2 As It Includes A Noncanonical, Hendecad Repeat Which Replaces the Second Heptad Repeat in the Original Cc-Hept-IV Sequence.


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 2 of This Peptide Is A Variant of the Previously Designed De Novo Heptameric Coiled-Coil, Cc-Hept-IV, Which Consists of 4 Heptad Repeats. We Have Denoted This De Novo Peptide Cc-Hept-IV-HEN2 As It Includes A Noncanonical, Hendecad Repeat Which Replaces the Second Heptad Repeat in the Original Cc-Hept-IV Sequence. within 5.0Å range: probe atom residue distance (Å) B Occ E:Na101 b:53.2 occ:1.00 OE2 E:GLU20 3.2 26.6 1.0 CB C:ALA22 3.6 17.3 1.0 CB E:GLU20 3.6 18.7 1.0 O E:HOH208 3.7 27.4 1.0 CD E:GLU20 3.8 24.4 1.0 CG E:GLU20 3.9 20.7 1.0 CE C:LYS26 4.0 27.8 1.0 O C:LYS19 4.3 17.8 1.0 CG C:LYS19 4.7 21.8 1.0 N C:TRP23 4.7 16.6 1.0 CB C:LYS19 4.7 18.6 1.0 NZ C:LYS26 4.8 32.4 1.0 CA E:GLU20 4.8 17.5 1.0 C C:ALA22 4.8 16.3 1.0 CA C:LYS19 4.8 16.6 1.0 CA C:ALA22 4.8 16.4 1.0 OE1 E:GLU20 4.9 30.4 1.0 O E:GLU20 5.0 17.5 1.0

K.W.Kurgan, F.J.O.Martin, W.M.Dawson, T.Brunnock, A.J.Orr-Ewing, D.N.Woolfson. Exchange, Promiscuity, and Orthogonality in De Novo Designed Coiled-Coil Peptide Assemblies. Chem Sci 2024.
ISSN: ISSN 2041-6520
PubMed: 39720134
DOI: 10.1039/D4SC06329E