Rubidium in PDB 4r8c: Crystal Structure of Cng Mimicking Nak-Etpp Mutant in Complex with Rb+

The structure of Crystal Structure of Cng Mimicking Nak-Etpp Mutant in Complex with Rb+, PDB code: 4r8c 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)	47.59 / 2.50
Space group	I 4
Cell size a, b, c (Å), α, β, γ (°)	67.305, 67.305, 84.294, 90.00, 90.00, 90.00
R / Rfree (%)	20.4 / 25.7

The binding sites of Rubidium atom in the Crystal Structure of Cng Mimicking Nak-Etpp Mutant in Complex with Rb+ (pdb code 4r8c). This binding sites where shown within 5.0 Angstroms radius around Rubidium atom.
In total 6 binding sites of Rubidium where determined in the Crystal Structure of Cng Mimicking Nak-Etpp Mutant in Complex with Rb+, PDB code: 4r8c:
Jump to Rubidium binding site number: 1; 2; 3; 4; 5; 6;

Rubidium binding site 1 out of 6 in the Crystal Structure of Cng Mimicking Nak-Etpp Mutant in Complex with Rb+


Mono view


Stereo pair view

A full contact list of Rubidium with other atoms in the Rb binding site number 1 of Crystal Structure of Cng Mimicking Nak-Etpp Mutant in Complex with Rb+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Rb201 b:51.9 occ:0.25 O A:THR63 2.6 40.0 1.0 O A:VAL64 2.8 35.3 1.0 RB A:RB203 3.3 42.7 0.2 RB A:RB202 3.4 51.4 0.2 C A:VAL64 3.5 33.4 1.0 C A:THR63 3.7 37.2 1.0 CA A:VAL64 3.9 34.8 1.0 N A:VAL64 4.3 34.8 1.0 N A:GLY65 4.4 31.2 1.0 CA A:GLY65 4.7 31.0 1.0 CA A:THR63 5.0 39.2 1.0

Rubidium binding site 2 out of 6 in the Crystal Structure of Cng Mimicking Nak-Etpp Mutant in Complex with Rb+


Mono view


Stereo pair view

A full contact list of Rubidium with other atoms in the Rb binding site number 2 of Crystal Structure of Cng Mimicking Nak-Etpp Mutant in Complex with Rb+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Rb202 b:51.4 occ:0.25 O A:THR63 2.7 40.0 1.0 OG1 A:THR63 3.0 40.0 1.0 RB A:RB201 3.4 51.9 0.2 CB A:THR63 3.5 39.0 1.0 C A:THR63 3.6 37.2 1.0 O A:HOH312 4.0 62.3 0.2 CA A:THR63 4.2 39.2 1.0 N A:VAL64 4.6 34.8 1.0 CG2 A:THR63 4.8 42.1 1.0 O A:THR62 4.9 41.6 1.0 CA A:VAL64 4.9 34.8 1.0

Rubidium binding site 3 out of 6 in the Crystal Structure of Cng Mimicking Nak-Etpp Mutant in Complex with Rb+


Mono view


Stereo pair view

A full contact list of Rubidium with other atoms in the Rb binding site number 3 of Crystal Structure of Cng Mimicking Nak-Etpp Mutant in Complex with Rb+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Rb203 b:42.7 occ:0.25 O A:VAL64 3.0 35.3 1.0 O A:GLY65 3.0 34.3 1.0 RB A:RB201 3.3 51.9 0.2 C A:GLY65 3.5 33.6 1.0 CA A:GLY65 3.9 31.0 1.0 C A:VAL64 4.1 33.4 1.0 N A:GLU66 4.4 31.9 1.0 N A:GLY65 4.5 31.2 1.0 CA A:GLU66 4.7 37.5 1.0 O A:HOH311 4.8 10.9 1.0

Rubidium binding site 4 out of 6 in the Crystal Structure of Cng Mimicking Nak-Etpp Mutant in Complex with Rb+


Mono view


Stereo pair view

A full contact list of Rubidium with other atoms in the Rb binding site number 4 of Crystal Structure of Cng Mimicking Nak-Etpp Mutant in Complex with Rb+ within 5.0Å range: probe atom residue distance (Å) B Occ B:Rb201 b:58.1 occ:0.25 O B:GLY65 3.0 50.5 1.0 O B:VAL64 3.1 52.6 1.0 C B:GLY65 3.5 58.1 1.0 RB B:RB203 3.7 64.0 0.2 CA B:GLY65 3.9 50.1 1.0 C B:VAL64 4.1 50.7 1.0 N B:GLU66 4.4 56.9 1.0 N B:GLY65 4.5 50.1 1.0 O B:HOH308 4.6 37.4 1.0 CA B:GLU66 4.8 65.7 1.0

Rubidium binding site 5 out of 6 in the Crystal Structure of Cng Mimicking Nak-Etpp Mutant in Complex with Rb+


Mono view


Stereo pair view

A full contact list of Rubidium with other atoms in the Rb binding site number 5 of Crystal Structure of Cng Mimicking Nak-Etpp Mutant in Complex with Rb+ within 5.0Å range: probe atom residue distance (Å) B Occ B:Rb202 b:48.9 occ:0.25 OG1 B:THR63 2.9 39.7 1.0 O B:THR63 2.9 47.2 1.0 RB B:RB203 3.4 64.0 0.2 CB B:THR63 3.4 38.7 1.0 C B:THR63 3.7 44.6 1.0 CA B:THR63 4.2 42.2 1.0 CG2 B:THR63 4.7 40.6 1.0 N B:VAL64 4.7 43.6 1.0 O B:THR62 4.8 47.0 1.0

Rubidium binding site 6 out of 6 in the Crystal Structure of Cng Mimicking Nak-Etpp Mutant in Complex with Rb+


Mono view


Stereo pair view

A full contact list of Rubidium with other atoms in the Rb binding site number 6 of Crystal Structure of Cng Mimicking Nak-Etpp Mutant in Complex with Rb+ within 5.0Å range: probe atom residue distance (Å) B Occ B:Rb203 b:64.0 occ:0.25 O B:THR63 2.5 47.2 1.0 O B:VAL64 2.9 52.6 1.0 RB B:RB202 3.4 48.9 0.2 C B:VAL64 3.5 50.7 1.0 C B:THR63 3.7 44.6 1.0 RB B:RB201 3.7 58.1 0.2 CA B:VAL64 3.9 45.9 1.0 N B:VAL64 4.2 43.6 1.0 N B:GLY65 4.5 50.1 1.0 CA B:GLY65 4.8 50.1 1.0 CA B:THR63 4.9 42.2 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