Sodium in PDB 6bau: Crystal Structure of Gltph R397C in Complex with L-Cysteine

The structure of Crystal Structure of Gltph R397C in Complex with L-Cysteine, PDB code: 6bau was solved by J.Font, A.J.Scopelliti, R.J.Vandenberg, O.Boudker, R.M.Ryan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.00 / 3.80
Space group	P 61
Cell size a, b, c (Å), α, β, γ (°)	115.313, 115.313, 322.274, 90.00, 90.00, 120.00
R / Rfree (%)	26.7 / 29

The binding sites of Sodium atom in the Crystal Structure of Gltph R397C in Complex with L-Cysteine (pdb code 6bau). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 6 binding sites of Sodium where determined in the Crystal Structure of Gltph R397C in Complex with L-Cysteine, PDB code: 6bau:
Jump to Sodium binding site number: 1; 2; 3; 4; 5; 6;

Sodium binding site 1 out of 6 in the Crystal Structure of Gltph R397C in Complex with L-Cysteine


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 Gltph R397C in Complex with L-Cysteine within 5.0Å range: probe atom residue distance (Å) B Occ A:Na501 b:88.9 occ:1.00 O A:ASN310 2.4 0.5 1.0 OD2 A:ASP405 2.6 0.4 1.0 O A:GLY306 3.2 94.8 1.0 O A:ASN401 3.2 0.7 1.0 OG A:SER278 3.3 92.2 1.0 CG A:ASP405 3.3 0.1 1.0 OD1 A:ASP405 3.3 0.5 1.0 C A:ASN401 3.5 0.3 1.0 CB A:ASN401 3.6 0.7 1.0 C A:ASN310 3.6 0.5 1.0 CA A:ALA307 3.7 95.7 1.0 C A:ALA307 3.9 96.4 1.0 CG A:MET311 3.9 0.1 1.0 O A:ALA307 3.9 96.0 1.0 C A:GLY306 4.0 95.1 1.0 CA A:ASN401 4.0 0.7 1.0 N A:VAL402 4.2 0.2 1.0 N A:ALA307 4.2 95.3 1.0 CB A:SER278 4.5 92.2 1.0 OD1 A:ASN310 4.5 0.5 1.0 CA A:VAL402 4.5 0.6 1.0 N A:MET311 4.6 0.9 1.0 CA A:ASN310 4.6 0.6 1.0 CA A:MET311 4.6 1.0 1.0 CG A:ASN401 4.6 0.4 1.0 CE A:MET311 4.6 1.0 1.0 N A:THR308 4.7 97.8 1.0 CB A:ASP405 4.7 0.5 1.0 CB A:ASN310 4.8 0.9 1.0 N A:ASN310 4.9 0.3 1.0 CB A:MET311 4.9 0.6 1.0 CB A:ALA307 4.9 95.5 1.0 ND2 A:ASN401 5.0 0.7 1.0

Sodium binding site 2 out of 6 in the Crystal Structure of Gltph R397C in Complex with L-Cysteine


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 Gltph R397C in Complex with L-Cysteine within 5.0Å range: probe atom residue distance (Å) B Occ A:Na502 b:91.1 occ:1.00 O A:THR352 2.1 99.5 1.0 O A:THR308 2.3 99.9 1.0 O A:SER349 2.6 1.0 1.0 SD A:MET311 2.8 0.8 1.0 O A:ILE350 2.9 0.2 1.0 C A:THR352 3.1 99.8 1.0 C A:ILE350 3.4 0.7 1.0 C A:THR308 3.4 100.0 1.0 N A:THR352 3.6 0.7 1.0 CE A:MET311 3.6 1.0 1.0 C A:SER349 3.7 0.6 1.0 CA A:THR352 3.7 0.0 1.0 CG A:MET311 3.8 0.1 1.0 CA A:ILE350 3.9 0.1 1.0 CB A:THR352 3.9 1.0 1.0 C A:GLY351 3.9 0.5 1.0 CA A:THR308 4.1 99.2 1.0 N A:GLY351 4.1 0.6 1.0 N A:ILE350 4.2 0.9 1.0 O A:GLY351 4.2 0.6 1.0 N A:ALA353 4.3 98.3 1.0 CB A:MET311 4.4 0.6 1.0 N A:ILE309 4.5 0.2 1.0 CG2 A:THR308 4.5 99.8 1.0 O A:ILE309 4.5 0.3 1.0 CA A:GLY351 4.6 0.1 1.0 C A:ILE309 4.7 0.2 1.0 CA A:ILE309 4.8 0.5 1.0 CG2 A:THR352 4.8 0.1 1.0 CA A:ALA353 4.8 97.2 1.0 C A:ALA353 4.9 96.2 1.0 CA A:SER349 4.9 0.2 1.0 OG1 A:THR352 5.0 0.8 1.0 CB A:THR308 5.0 99.6 1.0

Sodium binding site 3 out of 6 in the Crystal Structure of Gltph R397C in Complex with L-Cysteine


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 Gltph R397C in Complex with L-Cysteine within 5.0Å range: probe atom residue distance (Å) B Occ B:Na501 b:0.6 occ:1.00 O B:ASN310 2.4 0.5 1.0 OD2 B:ASP405 2.6 0.1 1.0 O B:GLY306 3.2 0.6 1.0 O B:ASN401 3.2 0.1 1.0 OG B:SER278 3.3 0.7 1.0 CG B:ASP405 3.3 0.3 1.0 OD1 B:ASP405 3.3 0.7 1.0 C B:ASN401 3.5 0.9 1.0 CB B:ASN401 3.6 0.5 1.0 C B:ASN310 3.6 0.5 1.0 CA B:ALA307 3.7 0.6 1.0 C B:ALA307 3.9 0.9 1.0 CG B:MET311 3.9 0.1 1.0 O B:ALA307 3.9 0.6 1.0 C B:GLY306 4.0 0.4 1.0 CA B:ASN401 4.0 0.4 1.0 N B:VAL402 4.2 1.0 1.0 N B:ALA307 4.2 0.1 1.0 CB B:SER278 4.5 0.9 1.0 OD1 B:ASN310 4.5 0.5 1.0 CA B:VAL402 4.5 0.2 1.0 N B:MET311 4.6 0.5 1.0 CA B:ASN310 4.6 0.8 1.0 CA B:MET311 4.6 0.4 1.0 CG B:ASN401 4.6 0.4 1.0 CE B:MET311 4.6 0.5 1.0 N B:THR308 4.7 0.7 1.0 CB B:ASP405 4.7 0.4 1.0 CB B:ASN310 4.8 0.6 1.0 N B:ASN310 4.9 0.3 1.0 CB B:MET311 4.9 0.4 1.0 CB B:ALA307 4.9 0.8 1.0 ND2 B:ASN401 5.0 0.9 1.0

Sodium binding site 4 out of 6 in the Crystal Structure of Gltph R397C in Complex with L-Cysteine


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 Gltph R397C in Complex with L-Cysteine within 5.0Å range: probe atom residue distance (Å) B Occ B:Na502 b:0.9 occ:1.00 O B:THR352 2.1 0.9 1.0 O B:THR308 2.3 0.0 1.0 O B:SER349 2.6 0.3 1.0 SD B:MET311 2.8 0.3 1.0 O B:ILE350 2.9 0.7 1.0 C B:THR352 3.1 0.6 1.0 C B:ILE350 3.4 0.8 1.0 C B:THR308 3.4 0.7 1.0 N B:THR352 3.6 0.7 1.0 CE B:MET311 3.7 0.5 1.0 C B:SER349 3.7 0.2 1.0 CA B:THR352 3.7 0.4 1.0 CG B:MET311 3.8 0.1 1.0 CA B:ILE350 3.9 0.0 1.0 CB B:THR352 3.9 0.6 1.0 C B:GLY351 3.9 0.3 1.0 CA B:THR308 4.1 0.6 1.0 N B:GLY351 4.1 0.6 1.0 N B:ILE350 4.2 0.9 1.0 O B:GLY351 4.2 0.9 1.0 N B:ALA353 4.3 0.8 1.0 CB B:MET311 4.4 0.4 1.0 N B:ILE309 4.5 0.7 1.0 CG2 B:THR308 4.5 0.5 1.0 O B:ILE309 4.5 0.0 1.0 CA B:GLY351 4.6 0.5 1.0 C B:ILE309 4.7 0.6 1.0 CA B:ILE309 4.8 0.5 1.0 CG2 B:THR352 4.8 0.9 1.0 CA B:ALA353 4.8 0.9 1.0 C B:ALA353 4.9 0.5 1.0 CA B:SER349 4.9 1.0 1.0 OG1 B:THR352 5.0 0.2 1.0 CB B:THR308 5.0 0.6 1.0

Sodium binding site 5 out of 6 in the Crystal Structure of Gltph R397C in Complex with L-Cysteine


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 Gltph R397C in Complex with L-Cysteine within 5.0Å range: probe atom residue distance (Å) B Occ C:Na501 b:0.8 occ:1.00 O C:ASN310 2.4 0.8 1.0 OD2 C:ASP405 2.6 0.3 1.0 O C:GLY306 3.2 0.5 1.0 O C:ASN401 3.2 0.1 1.0 OG C:SER278 3.3 0.1 1.0 CG C:ASP405 3.3 0.4 1.0 OD1 C:ASP405 3.3 0.3 1.0 C C:ASN401 3.5 0.5 1.0 CB C:ASN401 3.6 0.5 1.0 C C:ASN310 3.6 0.4 1.0 CA C:ALA307 3.7 0.0 1.0 C C:ALA307 3.9 0.8 1.0 O C:ALA307 3.9 0.3 1.0 CG C:MET311 3.9 0.6 1.0 C C:GLY306 4.0 0.3 1.0 CA C:ASN401 4.0 0.2 1.0 N C:VAL402 4.2 0.7 1.0 N C:ALA307 4.2 0.8 1.0 CB C:SER278 4.5 0.6 1.0 OD1 C:ASN310 4.5 0.8 1.0 CA C:VAL402 4.5 0.7 1.0 N C:MET311 4.6 0.4 1.0 CA C:ASN310 4.6 0.3 1.0 CA C:MET311 4.6 0.8 1.0 CG C:ASN401 4.6 0.8 1.0 CE C:MET311 4.6 0.9 1.0 N C:THR308 4.7 0.3 1.0 CB C:ASP405 4.7 0.0 1.0 CB C:ASN310 4.8 0.7 1.0 N C:ASN310 4.9 0.3 1.0 CB C:MET311 4.9 0.0 1.0 CB C:ALA307 4.9 0.9 1.0 ND2 C:ASN401 5.0 0.7 1.0

Sodium binding site 6 out of 6 in the Crystal Structure of Gltph R397C in Complex with L-Cysteine


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 Gltph R397C in Complex with L-Cysteine within 5.0Å range: probe atom residue distance (Å) B Occ C:Na502 b:0.7 occ:1.00 O C:THR352 2.1 0.6 1.0 O C:THR308 2.3 0.6 1.0 O C:SER349 2.6 0.2 1.0 SD C:MET311 2.8 0.3 1.0 O C:ILE350 2.9 0.6 1.0 C C:THR352 3.1 0.2 1.0 C C:ILE350 3.4 0.9 1.0 C C:THR308 3.4 0.2 1.0 N C:THR352 3.6 0.4 1.0 CE C:MET311 3.7 0.9 1.0 C C:SER349 3.7 0.4 1.0 CA C:THR352 3.7 0.4 1.0 CG C:MET311 3.8 0.6 1.0 CA C:ILE350 3.9 0.0 1.0 CB C:THR352 3.9 0.8 1.0 C C:GLY351 3.9 0.5 1.0 CA C:THR308 4.1 0.8 1.0 N C:GLY351 4.1 0.0 1.0 N C:ILE350 4.2 0.5 1.0 O C:GLY351 4.2 1.0 1.0 N C:ALA353 4.3 0.2 1.0 CB C:MET311 4.4 0.0 1.0 N C:ILE309 4.5 0.4 1.0 CG2 C:THR308 4.5 0.6 1.0 O C:ILE309 4.5 0.7 1.0 CA C:GLY351 4.6 0.2 1.0 C C:ILE309 4.7 0.2 1.0 CA C:ILE309 4.8 0.6 1.0 CG2 C:THR352 4.8 0.6 1.0 CA C:ALA353 4.8 1.0 1.0 C C:ALA353 4.9 0.9 1.0 CA C:SER349 4.9 0.0 1.0 OG1 C:THR352 5.0 0.6 1.0 CB C:THR308 5.0 0.3 1.0

A.J.Scopelliti, J.Font, R.J.Vandenberg, O.Boudker, R.M.Ryan. Structural Characterisation Reveals Insights Into Substrate Recognition By the Glutamine Transporter ASCT2/SLC1A5. Nat Commun V. 9 38 2018.
ISSN: ESSN 2041-1723
PubMed: 29295993
DOI: 10.1038/S41467-017-02444-W