Sodium in PDB 6z6a: KEAP1 Macrocycle Complex

The structure of KEAP1 Macrocycle Complex, PDB code: 6z6a was solved by P.Johansson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.37 / 2.37
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	75.65, 75.8, 203.13, 90, 90, 90
R / Rfree (%)	19.2 / 20.9

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

Chlorine

(Cl)

1 atom

The binding sites of Sodium atom in the KEAP1 Macrocycle Complex (pdb code 6z6a). 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 KEAP1 Macrocycle Complex, PDB code: 6z6a:

Sodium binding site 1 out of 1 in the KEAP1 Macrocycle Complex


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of KEAP1 Macrocycle Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Na702 b:71.5 occ:1.00 OH A:TYR473 3.2 63.7 1.0 OH A:TYR537 3.3 77.8 1.0 CE2 A:TYR473 4.0 58.6 1.0 CG2 A:VAL539 4.0 79.5 1.0 CG2 A:ILE500 4.0 67.2 1.0 CZ A:TYR473 4.1 62.3 1.0 CZ A:TYR537 4.2 73.0 1.0 CE2 A:TYR537 4.2 64.9 1.0 O A:HOH823 4.6 69.0 1.0 CB A:ILE500 4.8 68.7 1.0 SG A:CYS489 4.8 72.3 1.0 CB A:VAL539 5.0 79.6 1.0

F.Begnini, V.Poongavanam, B.Over, M.Castaldo, S.Geschwindner, P.Johansson, M.Tyagi, C.Tyrchan, L.Wissler, P.Sjo, S.Schiesser, J.Kihlberg. Mining Natural Products For Macrocycles to Drug Difficult Targets. J.Med.Chem. 2020.
ISSN: ISSN 0022-2623
PubMed: 33337880
DOI: 10.1021/ACS.JMEDCHEM.0C01569