Sodium in PDB 6yu2: Crystal Structure of Mhst in Complex with L-Isoleucine

The structure of Crystal Structure of Mhst in Complex with L-Isoleucine, PDB code: 6yu2 was solved by D.Focht, C.Neumann, J.Lyons, A.Eguskiza Bilbao, R.Blunck, L.Malinauskaite, I.O.Schwarz, J.A.Javitch, M.Quick, P.Nissen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.70 / 3.10
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	43.950, 97.290, 110.940, 90.00, 96.14, 90.00
R / Rfree (%)	27.7 / 30.5

The binding sites of Sodium atom in the Crystal Structure of Mhst in Complex with L-Isoleucine (pdb code 6yu2). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 4 binding sites of Sodium where determined in the Crystal Structure of Mhst in Complex with L-Isoleucine, PDB code: 6yu2:
Jump to Sodium binding site number: 1; 2; 3; 4;

Sodium binding site 1 out of 4 in the Crystal Structure of Mhst in Complex with L-Isoleucine


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 Mhst in Complex with L-Isoleucine within 5.0Å range: probe atom residue distance (Å) B Occ A:Na504 b:48.8 occ:1.00 O A:VAL27 2.2 50.2 1.0 O A:GLY24 2.2 49.8 1.0 OG A:SER323 2.4 48.7 1.0 O A:ALA320 2.4 47.9 1.0 OG A:SER324 2.4 49.5 1.0 C A:VAL27 3.2 50.7 1.0 C A:GLY24 3.4 50.1 1.0 C A:ALA320 3.4 48.1 1.0 N A:SER324 3.6 48.5 1.0 CB A:SER323 3.6 48.9 1.0 CB A:SER324 3.7 49.3 1.0 CA A:GLY28 3.7 50.3 1.0 CA A:ALA320 3.7 48.5 1.0 N A:GLY28 3.8 51.2 1.0 C A:SER323 3.9 48.7 1.0 CA A:GLY24 4.0 50.2 1.0 CA A:SER324 4.0 48.7 1.0 CA A:SER323 4.2 48.6 1.0 CB A:ALA320 4.2 48.9 1.0 CA A:VAL27 4.3 50.8 1.0 N A:VAL27 4.4 50.8 1.0 O A:SER323 4.4 48.6 1.0 N A:SER25 4.5 50.0 1.0 N A:SER323 4.5 48.5 1.0 O A:SER25 4.6 49.9 1.0 N A:ALA321 4.6 48.4 1.0 C A:SER25 4.6 49.5 1.0 CA A:SER25 4.7 49.1 1.0 O A:ALA319 4.8 47.3 1.0 CB A:VAL27 4.9 51.4 1.0 O A:MET23 4.9 51.8 1.0

Sodium binding site 2 out of 4 in the Crystal Structure of Mhst in Complex with L-Isoleucine


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 Mhst in Complex with L-Isoleucine within 5.0Å range: probe atom residue distance (Å) B Occ A:Na505 b:51.1 occ:1.00 O A:ALA26 2.4 51.2 1.0 OD1 A:ASP263 2.4 51.5 1.0 OG1 A:THR231 2.4 50.6 1.0 OXT A:ILE506 2.4 51.9 1.0 O A:THR231 2.4 52.4 1.0 OD1 A:ASN31 2.5 50.8 1.0 C A:THR231 3.2 52.4 1.0 CG A:ASN31 3.2 51.2 1.0 CA A:THR231 3.2 52.0 1.0 CB A:THR231 3.4 51.9 1.0 C A:ALA26 3.4 50.8 1.0 C A:ILE506 3.4 51.0 1.0 ND2 A:ASN31 3.5 50.9 1.0 CG A:ASP263 3.5 51.7 1.0 N A:ILE506 3.8 49.8 1.0 CA A:VAL27 4.0 50.8 1.0 N A:GLY28 4.0 51.2 1.0 N A:VAL27 4.1 50.8 1.0 CA A:ILE506 4.1 50.3 1.0 OD2 A:ASP263 4.2 51.7 1.0 N A:ASN31 4.2 51.5 1.0 O A:ILE506 4.3 50.4 1.0 CA A:ALA26 4.4 50.8 1.0 C A:GLY30 4.5 52.4 1.0 CG2 A:THR231 4.5 52.3 1.0 CB A:ASN31 4.5 51.8 1.0 C A:VAL27 4.5 50.7 1.0 N A:LEU232 4.5 52.7 1.0 CB A:ASP263 4.6 52.0 1.0 N A:THR231 4.6 52.2 1.0 CA A:ASN31 4.7 51.6 1.0 CA A:GLY30 4.8 51.7 1.0 O A:PHE230 4.9 50.0 1.0 CB A:ALA26 4.9 51.5 1.0 O A:GLY30 4.9 53.4 1.0 N A:GLY30 5.0 52.5 1.0

Sodium binding site 3 out of 4 in the Crystal Structure of Mhst in Complex with L-Isoleucine


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 Mhst in Complex with L-Isoleucine within 5.0Å range: probe atom residue distance (Å) B Occ B:Na504 b:56.1 occ:1.00 O B:GLY24 2.1 55.3 1.0 O B:VAL27 2.3 55.3 1.0 O B:ALA320 2.4 55.8 1.0 OG B:SER323 2.4 55.1 1.0 OG B:SER324 2.4 55.5 1.0 C B:GLY24 3.2 54.8 1.0 C B:ALA320 3.3 55.2 1.0 N B:SER324 3.3 53.8 1.0 CB B:SER323 3.5 55.4 1.0 CA B:ALA320 3.5 55.6 1.0 C B:VAL27 3.5 55.5 1.0 CB B:SER324 3.6 54.8 1.0 C B:SER323 3.8 54.0 1.0 CA B:GLY24 3.9 55.2 1.0 CA B:SER324 3.9 53.8 1.0 CA B:SER323 4.0 54.7 1.0 CB B:ALA320 4.1 55.7 1.0 CA B:GLY28 4.2 56.3 1.0 N B:SER323 4.3 55.3 1.0 N B:SER25 4.3 54.1 1.0 N B:GLY28 4.4 55.9 1.0 O B:ALA319 4.5 53.2 1.0 O B:SER323 4.5 53.9 1.0 N B:ALA321 4.5 55.1 1.0 CA B:VAL27 4.6 55.3 1.0 CA B:SER25 4.6 53.5 1.0 C B:SER25 4.6 54.1 1.0 O B:SER25 4.7 54.3 1.0 N B:VAL27 4.7 55.8 1.0 O B:MET23 4.7 55.7 1.0 N B:ALA320 4.8 55.0 1.0 CB B:VAL27 4.9 54.5 1.0

Sodium binding site 4 out of 4 in the Crystal Structure of Mhst in Complex with L-Isoleucine


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 Mhst in Complex with L-Isoleucine within 5.0Å range: probe atom residue distance (Å) B Occ B:Na505 b:55.2 occ:1.00 O B:THR231 2.4 56.2 1.0 OD1 B:ASN31 2.4 57.3 1.0 OD1 B:ASP263 2.4 56.5 1.0 OG1 B:THR231 2.4 55.4 1.0 O B:ALA26 2.5 56.9 1.0 O B:ILE506 2.6 56.5 1.0 C B:THR231 3.0 57.0 1.0 CA B:THR231 3.1 56.3 1.0 CG B:ASP263 3.2 56.6 1.0 CB B:THR231 3.3 56.1 1.0 CG B:ASN31 3.4 55.8 1.0 C B:ALA26 3.5 55.9 1.0 C B:ILE506 3.5 55.9 1.0 OD2 B:ASP263 3.6 57.1 1.0 N B:ILE506 3.7 54.9 1.0 ND2 B:ASN31 3.8 56.0 1.0 N B:GLY28 4.1 55.9 1.0 CA B:VAL27 4.2 55.3 1.0 N B:VAL27 4.2 55.8 1.0 N B:LEU232 4.2 57.8 1.0 CA B:ILE506 4.2 55.2 1.0 OXT B:ILE506 4.3 55.9 1.0 CB B:ASP263 4.3 55.8 1.0 CA B:ALA26 4.4 54.3 1.0 CG2 B:THR231 4.4 56.3 1.0 N B:THR231 4.5 55.7 1.0 C B:VAL27 4.5 55.5 1.0 N B:ASN31 4.6 57.3 1.0 C B:GLY30 4.6 57.7 1.0 O B:PHE230 4.7 55.3 1.0 CB B:ASN31 4.8 56.3 1.0 CA B:GLY30 4.9 57.0 1.0 CA B:LEU232 4.9 56.6 1.0 CB B:ALA26 4.9 54.4 1.0

D.Focht, C.Neumann, J.Lyons, A.Eguskiza Bilbao, R.Blunck, L.Malinauskaite, I.O.Schwarz, J.A.Javitch, M.Quick, P.Nissen. Role of A Non-Helical Region of Transmembrane Helix 6 in the Substrate Recognition Mechanism of the Hydrophobic Amino Acid Transporter Mhst. To Be Published.