Sodium in PDB 4us3: Crystal Structure of the Bacterial Nss Member Mhst in An Occluded Inward-Facing State

The structure of Crystal Structure of the Bacterial Nss Member Mhst in An Occluded Inward-Facing State, PDB code: 4us3 was solved by L.Malinauskaite, M.Quick, L.Reinhard, J.A.Lyons, H.Yano, J.A.Javitch, P.Nissen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.972 / 2.10
Space group	P 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	44.280, 49.890, 110.050, 90.00, 96.76, 90.00
R / Rfree (%)	19.06 / 23.42

The binding sites of Sodium atom in the Crystal Structure of the Bacterial Nss Member Mhst in An Occluded Inward-Facing State (pdb code 4us3). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 2 binding sites of Sodium where determined in the Crystal Structure of the Bacterial Nss Member Mhst in An Occluded Inward-Facing State, PDB code: 4us3:
Jump to Sodium binding site number: 1; 2;

Sodium binding site 1 out of 2 in the Crystal Structure of the Bacterial Nss Member Mhst in An Occluded Inward-Facing State


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 the Bacterial Nss Member Mhst in An Occluded Inward-Facing State within 5.0Å range: probe atom residue distance (Å) B Occ A:Na701 b:16.1 occ:1.00 O A:GLY24 2.1 17.7 1.0 O A:ALA320 2.3 15.2 1.0 O A:VAL27 2.4 11.7 1.0 OG A:SER323 2.4 21.3 1.0 OG A:SER324 2.5 13.2 1.0 O A:HOH2006 2.7 20.4 1.0 N A:SER324 3.1 12.0 1.0 C A:GLY24 3.3 13.3 1.0 C A:ALA320 3.3 10.7 1.0 CB A:SER323 3.4 16.2 1.0 C A:VAL27 3.5 12.8 1.0 CB A:SER324 3.5 12.2 1.0 C A:SER323 3.7 11.5 1.0 CA A:SER324 3.7 10.7 1.0 CA A:ALA320 3.8 13.2 1.0 CA A:SER323 3.9 10.8 1.0 CA A:GLY24 4.0 9.6 1.0 N A:SER323 4.2 13.5 1.0 CB A:ALA320 4.3 9.7 1.0 O A:SER25 4.3 10.1 1.0 CA A:GLY28 4.3 11.2 1.0 N A:GLY28 4.3 12.6 1.0 N A:SER25 4.4 10.7 1.0 N A:VAL27 4.4 11.8 1.0 C A:SER25 4.5 12.3 1.0 N A:ALA321 4.5 14.3 1.0 CA A:VAL27 4.5 10.8 1.0 O A:SER323 4.5 13.8 1.0 CA A:SER25 4.6 12.2 1.0 O A:MET23 4.9 18.3 1.0 O A:ALA319 4.9 13.5 1.0 CA A:ALA321 5.0 14.4 1.0

Sodium binding site 2 out of 2 in the Crystal Structure of the Bacterial Nss Member Mhst in An Occluded Inward-Facing State


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 the Bacterial Nss Member Mhst in An Occluded Inward-Facing State within 5.0Å range: probe atom residue distance (Å) B Occ A:Na702 b:13.7 occ:1.00 O A:ALA26 2.1 17.9 1.0 OD1 A:ASN31 2.3 13.4 1.0 OD1 A:ASP263 2.4 19.2 1.0 OXT A:TRP601 2.5 11.5 1.0 O A:THR231 2.5 15.7 1.0 OG1 A:THR231 2.6 14.8 1.0 CG A:ASN31 3.1 16.6 1.0 C A:ALA26 3.2 15.5 1.0 C A:THR231 3.2 15.6 1.0 CA A:THR231 3.3 13.4 1.0 CG A:ASP263 3.4 18.7 1.0 ND2 A:ASN31 3.5 10.7 1.0 C A:TRP601 3.5 15.2 1.0 CB A:THR231 3.5 10.7 1.0 OD2 A:ASP263 3.7 20.9 1.0 N A:TRP601 3.7 10.3 1.0 CA A:VAL27 3.9 10.8 1.0 N A:VAL27 4.0 11.8 1.0 CA A:TRP601 4.1 16.2 1.0 N A:GLY28 4.2 12.6 1.0 N A:ASN31 4.2 9.8 1.0 CA A:ALA26 4.2 12.9 1.0 O A:TRP601 4.4 12.3 1.0 CB A:ASN31 4.4 14.1 1.0 C A:GLY30 4.5 10.5 1.0 C A:VAL27 4.5 12.8 1.0 N A:LEU232 4.5 12.2 1.0 CG2 A:THR231 4.6 12.9 1.0 CA A:ASN31 4.6 15.3 1.0 CB A:ALA26 4.6 13.6 1.0 CA A:GLY30 4.7 13.8 1.0 N A:THR231 4.7 9.8 1.0 CB A:ASP263 4.7 16.2 1.0 O A:PHE230 4.9 14.5 1.0 N A:GLY30 4.9 11.9 1.0

L.Malinauskaite, M.Quick, L.Reinhard, J.A.Lyons, H.Yano, J.A.Javitch, P.Nissen. A Mechanism For Intracellular Release of Na+ By Neurotransmitter/Sodium Symporters Nat.Struct.Mol.Biol. V. 21 1006 2014.
ISSN: ISSN 1545-9993
PubMed: 25282149
DOI: 10.1038/NSMB.2894