Sodium in PDB 3tif: Dimeric Structure of A Post-Hydrolysis State of the Atp-Binding Cassette MJ0796 Bound to Adp and Pi

The structure of Dimeric Structure of A Post-Hydrolysis State of the Atp-Binding Cassette MJ0796 Bound to Adp and Pi, PDB code: 3tif was solved by R.B.Sutton, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	33.39 / 1.80
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	80.649, 106.347, 117.232, 90.00, 90.00, 90.00
R / Rfree (%)	20.3 / 23.6

The binding sites of Sodium atom in the Dimeric Structure of A Post-Hydrolysis State of the Atp-Binding Cassette MJ0796 Bound to Adp and Pi (pdb code 3tif). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 2 binding sites of Sodium where determined in the Dimeric Structure of A Post-Hydrolysis State of the Atp-Binding Cassette MJ0796 Bound to Adp and Pi, PDB code: 3tif:
Jump to Sodium binding site number: 1; 2;

Sodium binding site 1 out of 2 in the Dimeric Structure of A Post-Hydrolysis State of the Atp-Binding Cassette MJ0796 Bound to Adp and Pi


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Dimeric Structure of A Post-Hydrolysis State of the Atp-Binding Cassette MJ0796 Bound to Adp and Pi within 5.0Å range: probe atom residue distance (Å) B Occ A:Na238 b:55.1 occ:0.64 OG A:SER45 2.7 39.6 1.0 O3 A:PI237 2.7 38.8 0.6 OE1 A:GLN171 2.8 49.9 1.0 O1B A:ADP236 2.9 37.6 1.0 OE1 A:GLN90 3.1 38.4 0.7 OD1 A:ASP170 3.4 34.8 1.0 O B:HOH179 3.5 38.3 1.0 NE2 A:GLN90 3.6 39.8 0.3 CB A:SER45 3.7 40.8 1.0 CD A:GLN90 3.7 39.8 0.7 P A:PI237 3.8 34.7 0.5 O4 A:PI237 3.9 35.0 0.7 OD2 A:ASP170 4.0 36.6 1.0 CD A:GLN171 4.0 38.5 1.0 NE2 A:GLN90 4.0 36.8 0.7 PB A:ADP236 4.1 40.8 1.0 O3B A:ADP236 4.1 37.4 1.0 N A:SER45 4.1 32.1 1.0 CG A:ASP170 4.1 33.0 1.0 O1 A:PI237 4.1 38.7 0.6 CA A:SER45 4.3 31.2 1.0 CG1 A:VAL202 4.4 28.6 1.0 CD A:GLN90 4.6 37.2 0.3 CE A:LYS44 4.7 37.3 1.0 CB A:LYS44 4.8 33.2 1.0 CG A:GLN90 4.8 33.3 0.7 CG A:GLN171 4.9 30.8 1.0 NE2 A:GLN171 4.9 30.6 1.0 O2B A:ADP236 4.9 38.5 1.0 NZ A:LYS44 5.0 34.2 1.0 C A:LYS44 5.0 34.5 1.0

Sodium binding site 2 out of 2 in the Dimeric Structure of A Post-Hydrolysis State of the Atp-Binding Cassette MJ0796 Bound to Adp and Pi


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 2 of Dimeric Structure of A Post-Hydrolysis State of the Atp-Binding Cassette MJ0796 Bound to Adp and Pi within 5.0Å range: probe atom residue distance (Å) B Occ B:Na1237 b:29.7 occ:0.69 O B:HOH7 2.4 37.5 1.0 O3 B:PI1236 2.4 33.0 0.8 O B:HOH76 2.6 36.7 1.0 OG B:SER1045 2.6 34.9 1.0 OE1 B:GLN1090 2.6 41.4 1.0 O3B B:ADP1 2.7 33.0 1.0 CB B:SER1045 3.4 33.5 1.0 CD B:GLN1090 3.5 38.5 1.0 O1B B:ADP1 3.6 34.3 1.0 PB B:ADP1 3.7 35.4 1.0 P B:PI1236 3.8 30.6 0.8 NE2 B:GLN1171 3.8 35.1 1.0 NE2 B:GLN1090 3.8 33.6 1.0 O1A B:ADP1 4.1 36.1 1.0 OD2 B:ASP1170 4.1 32.4 1.0 O1 B:PI1236 4.2 28.6 0.8 OD1 B:ASP1170 4.3 30.9 1.0 N B:SER1045 4.3 31.6 1.0 CA B:SER1045 4.4 32.7 1.0 N A:GLY148 4.4 34.3 1.0 O2 B:PI1236 4.5 36.5 0.8 CG B:ASP1170 4.6 31.3 1.0 O3A B:ADP1 4.7 40.1 1.0 CG B:GLN1090 4.7 29.6 1.0 O4 B:PI1236 4.7 28.9 0.8 O2B B:ADP1 4.8 31.5 1.0 CB A:SER147 4.8 34.5 1.0 PA B:ADP1 4.9 39.1 1.0 CD B:GLN1171 5.0 35.9 1.0 CB B:GLN1090 5.0 28.6 1.0

M.E.Zoghbi, K.L.Fuson, R.B.Sutton, G.A.Altenberg. Kinetics of the Association/Dissociation Cycle of An Atp-Binding Cassette Nucleotide-Binding Domain. J.Biol.Chem. V. 287 4157 2012.
ISSN: ISSN 0021-9258
PubMed: 22158619
DOI: 10.1074/JBC.M111.318378