Sodium in PDB 4rai: Crystal Structure of Cng Mimicking Nak-Etpp Mutant in Complex with Na+

The structure of Crystal Structure of Cng Mimicking Nak-Etpp Mutant in Complex with Na+, PDB code: 4rai was solved by M.De March, L.M.R.Napolitano, S.Onesti, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	53.35 / 2.31
Space group	I 4
Cell size a, b, c (Å), α, β, γ (°)	67.650, 67.650, 86.770, 90.00, 90.00, 90.00
R / Rfree (%)	14.4 / 21.5

The binding sites of Sodium atom in the Crystal Structure of Cng Mimicking Nak-Etpp Mutant in Complex with Na+ (pdb code 4rai). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 7 binding sites of Sodium where determined in the Crystal Structure of Cng Mimicking Nak-Etpp Mutant in Complex with Na+, PDB code: 4rai:
Jump to Sodium binding site number: 1; 2; 3; 4; 5; 6; 7;

Sodium binding site 1 out of 7 in the Crystal Structure of Cng Mimicking Nak-Etpp Mutant in Complex with Na+


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 Cng Mimicking Nak-Etpp Mutant in Complex with Na+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Na201 b:29.6 occ:0.25 NA A:NA204 2.5 22.8 0.2 O A:GLY65 2.7 19.9 1.0 C A:GLY65 3.6 21.0 1.0 O A:HOH318 3.8 14.8 1.0 O A:VAL64 4.0 26.9 1.0 CA A:GLU66 4.1 24.3 1.0 N A:GLU66 4.2 22.8 1.0 CA A:GLY65 4.5 21.6 1.0 CB A:GLU66 4.8 24.9 0.5 CB A:GLU66 4.9 23.0 0.5 C A:VAL64 5.0 26.4 1.0

Sodium binding site 2 out of 7 in the Crystal Structure of Cng Mimicking Nak-Etpp Mutant in Complex with Na+


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 2 of Crystal Structure of Cng Mimicking Nak-Etpp Mutant in Complex with Na+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Na202 b:6.2 occ:0.25 O A:THR63 2.3 26.4 1.0 NA A:NA204 3.1 22.8 0.2 O A:VAL64 3.1 26.9 1.0 NA A:NA203 3.2 29.4 0.2 C A:THR63 3.5 24.0 1.0 C A:VAL64 3.8 26.4 1.0 CA A:VAL64 4.0 25.9 1.0 N A:VAL64 4.2 25.1 1.0 CA A:THR63 4.6 24.4 1.0 OG1 A:THR63 4.6 27.1 1.0 CB A:THR63 4.6 25.1 1.0 N A:GLY65 4.9 22.8 1.0

Sodium binding site 3 out of 7 in the Crystal Structure of Cng Mimicking Nak-Etpp Mutant in Complex with Na+


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 3 of Crystal Structure of Cng Mimicking Nak-Etpp Mutant in Complex with Na+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Na203 b:29.4 occ:0.25 OG1 A:THR63 2.8 27.1 1.0 O A:THR63 3.1 26.4 1.0 NA A:NA202 3.2 6.2 0.2 O A:HOH314 3.3 24.6 0.2 CB A:THR63 3.5 25.1 1.0 C A:THR63 4.0 24.0 1.0 CA A:THR63 4.4 24.4 1.0 CG2 A:THR63 4.7 26.4 1.0 O A:THR62 4.8 30.3 1.0

Sodium binding site 4 out of 7 in the Crystal Structure of Cng Mimicking Nak-Etpp Mutant in Complex with Na+


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 4 of Crystal Structure of Cng Mimicking Nak-Etpp Mutant in Complex with Na+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Na204 b:22.8 occ:0.25 O A:VAL64 2.3 26.9 1.0 NA A:NA201 2.5 29.6 0.2 NA A:NA202 3.1 6.2 0.2 C A:VAL64 3.5 26.4 1.0 O A:GLY65 3.7 19.9 1.0 C A:GLY65 3.9 21.0 1.0 CA A:GLY65 4.0 21.6 1.0 N A:GLY65 4.2 22.8 1.0 O A:THR63 4.6 26.4 1.0 CA A:VAL64 4.7 25.9 1.0 N A:GLU66 4.7 22.8 1.0

Sodium binding site 5 out of 7 in the Crystal Structure of Cng Mimicking Nak-Etpp Mutant in Complex with Na+


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 5 of Crystal Structure of Cng Mimicking Nak-Etpp Mutant in Complex with Na+ within 5.0Å range: probe atom residue distance (Å) B Occ B:Na201 b:31.5 occ:0.25 O B:GLY65 2.8 53.3 1.0 C B:GLY65 3.5 44.1 1.0 O B:VAL64 3.5 31.6 1.0 NA B:NA203 3.6 31.3 0.2 CA B:GLY65 4.3 41.4 1.0 CA B:GLU66 4.3 54.8 1.0 N B:GLU66 4.3 47.6 1.0 C B:VAL64 4.6 31.4 1.0 N B:GLY65 4.9 36.8 1.0

Sodium binding site 6 out of 7 in the Crystal Structure of Cng Mimicking Nak-Etpp Mutant in Complex with Na+


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 6 of Crystal Structure of Cng Mimicking Nak-Etpp Mutant in Complex with Na+ within 5.0Å range: probe atom residue distance (Å) B Occ B:Na202 b:7.2 occ:0.25 O B:THR63 2.5 29.6 1.0 OG1 B:THR63 3.1 24.5 1.0 C B:THR63 3.5 26.9 1.0 NA B:NA203 3.6 31.3 0.2 CB B:THR63 3.6 26.3 1.0 CA B:THR63 4.2 26.8 1.0 N B:VAL64 4.5 27.9 1.0 CA B:VAL64 4.8 29.3 1.0 CG2 B:THR63 4.9 26.4 1.0 O B:THR62 4.9 28.5 1.0

Sodium binding site 7 out of 7 in the Crystal Structure of Cng Mimicking Nak-Etpp Mutant in Complex with Na+


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 7 of Crystal Structure of Cng Mimicking Nak-Etpp Mutant in Complex with Na+ within 5.0Å range: probe atom residue distance (Å) B Occ B:Na203 b:31.3 occ:0.25 O B:VAL64 2.4 31.6 1.0 O B:THR63 3.1 29.6 1.0 C B:VAL64 3.3 31.4 1.0 NA B:NA202 3.6 7.2 0.2 NA B:NA201 3.6 31.5 0.2 CA B:VAL64 4.0 29.3 1.0 C B:THR63 4.1 26.9 1.0 N B:GLY65 4.3 36.8 1.0 N B:VAL64 4.5 27.9 1.0 CA B:GLY65 4.5 41.4 1.0 C B:GLY65 4.9 44.1 1.0 O B:GLY65 5.0 53.3 1.0

L.M.Napolitano, I.Bisha, M.De March, A.Marchesi, M.Arcangeletti, N.Demitri, M.Mazzolini, A.Rodriguez, A.Magistrato, S.Onesti, A.Laio, V.Torre. A Structural, Functional, and Computational Analysis Suggests Pore Flexibility As the Base For the Poor Selectivity of Cng Channels. Proc.Natl.Acad.Sci.Usa V. 112 E3619 2015.
ISSN: ISSN 0027-8424
PubMed: 26100907
DOI: 10.1073/PNAS.1503334112