Sodium in PDB 6fmp: KEAP1 - Peptide Complex

The structure of KEAP1 - Peptide Complex, PDB code: 6fmp was solved by S.K.Talapatra, F.Kozielski, G.Wells, N.D.Georgakopoulos, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.92 / 2.92
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	76.409, 76.259, 208.284, 90.00, 90.00, 90.00
R / Rfree (%)	18.1 / 23.5

The structure of KEAP1 - Peptide Complex also contains other interesting chemical elements:

Chlorine

(Cl)

2 atoms

The binding sites of Sodium atom in the KEAP1 - Peptide Complex (pdb code 6fmp). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 2 binding sites of Sodium where determined in the KEAP1 - Peptide Complex, PDB code: 6fmp:
Jump to Sodium binding site number: 1; 2;

Sodium binding site 1 out of 2 in the KEAP1 - Peptide Complex


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of KEAP1 - Peptide Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Na710 b:56.4 occ:1.00 NH1 B:ARG415 2.9 56.7 1.0 CD B:ARG415 3.9 53.4 1.0 CA B:ALA556 4.1 47.7 1.0 CZ B:ARG415 4.1 62.8 1.0 CB B:ALA556 4.3 48.4 1.0 CA B:GLY509 4.3 51.5 1.0 CA B:GLY462 4.4 46.8 1.0 NE B:ARG415 4.5 58.3 1.0 CB B:ARG415 4.7 47.7 1.0 CA B:ARG415 4.8 45.6 1.0 CG B:ARG415 4.9 49.3 1.0 C B:ALA556 4.9 48.6 1.0 O B:GLY509 4.9 51.3 1.0 C B:GLY509 4.9 54.5 1.0

Sodium binding site 2 out of 2 in the KEAP1 - Peptide Complex


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 2 of KEAP1 - Peptide Complex within 5.0Å range: probe atom residue distance (Å) B Occ C:Na101 b:54.4 occ:1.00 OE2 C:GLU4 2.8 75.1 1.0 CH3 C:ACY1 3.0 64.8 1.0 NH2 B:ARG483 3.5 73.1 1.0 C C:ACY1 3.8 71.8 1.0 CD C:GLU4 3.8 73.9 1.0 O C:ACY1 3.9 72.1 1.0 CB C:GLU4 3.9 64.7 1.0 CG C:GLU4 4.3 71.7 1.0 NH2 B:ARG415 4.4 56.4 1.0 CZ B:ARG483 4.4 67.7 1.0 N C:GLU4 4.5 71.4 1.0 NE B:ARG483 4.6 67.5 1.0 OE1 C:GLU4 4.7 69.9 1.0 CA C:GLU4 4.9 68.4 1.0 N C:ASP2 5.0 71.7 1.0

N.D.Georgakopoulos, S.K.Talapatra, J.Gatliff, F.Kozielski, G.Wells. Modified Peptide Inhibitors of the KEAP1-NRF2 Protein-Protein Interaction Incorporating Unnatural Amino Acids. Chembiochem V. 19 1810 2018.
ISSN: ESSN 1439-7633
PubMed: 29927029
DOI: 10.1002/CBIC.201800170