Sodium in PDB 3zgd: Crystal Structure of A KEAP1 Mutant

The structure of Crystal Structure of A KEAP1 Mutant, PDB code: 3zgd was solved by S.Hoerer, D.Reinert, K.Ostmann, Y.Hoevels, H.Nar, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.86 / 1.98
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	75.720, 75.770, 202.040, 90.00, 90.00, 90.00
R / Rfree (%)	16.43 / 18.08

The binding sites of Sodium atom in the Crystal Structure of A KEAP1 Mutant (pdb code 3zgd). 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 Crystal Structure of A KEAP1 Mutant, PDB code: 3zgd:

Sodium binding site 1 out of 1 in the Crystal Structure of A KEAP1 Mutant


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Crystal Structure of A KEAP1 Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Na1614 b:49.2 occ:1.00 O A:HOH2015 2.3 39.7 1.0 OE1 A:GLN337 2.4 48.5 1.0 O A:HOH2016 2.5 43.3 1.0 O A:HOH2067 2.5 39.6 1.0 O A:HOH2017 2.5 48.5 1.0 OG A:SER383 2.7 42.1 1.0 CD A:GLN337 3.6 55.7 1.0 CB A:SER383 3.6 37.4 1.0 O A:HOH2071 4.1 41.6 1.0 OH B:TYR572 4.1 44.8 1.0 ND2 A:ASN381 4.1 41.8 1.0 CA A:SER383 4.2 34.9 1.0 CG A:PRO361 4.3 40.2 1.0 O A:ASN382 4.3 37.5 1.0 O B:HOH2295 4.3 53.3 1.0 O A:HOH2019 4.4 45.1 1.0 CG A:GLN337 4.4 40.3 1.0 NE2 A:GLN337 4.5 49.5 1.0 O A:HOH2154 4.5 59.6 1.0 O A:HOH2163 4.5 57.5 1.0 O B:HOH2293 4.5 46.9 1.0 O A:HOH2068 4.6 50.2 1.0 O A:SER338 4.7 36.8 1.0 OD1 A:ASN381 4.7 54.9 1.0 CB A:PRO361 4.7 35.7 1.0 CD A:PRO384 4.8 39.1 1.0 CB A:GLN337 4.8 36.2 1.0 CG A:ASN381 4.9 49.7 1.0 N A:SER383 5.0 34.9 1.0 C A:ASN382 5.0 38.8 1.0

S.Horer, D.Reinert, K.Ostmann, Y.Hoevels, H.Nar. Crystal-Contact Engineering to Obtain A Crystal Form of the Kelch Domain of Human KEAP1 Suitable For Ligand-Soaking Experiments. Acta Crystallogr.,Sect.F V. 69 592 2013.
ISSN: ISSN 1744-3091
PubMed: 23722832
DOI: 10.1107/S174430911301124X