Sodium in PDB 4us4: Crystal Structure of the Bacterial Nss Member Mhst in An Occluded Inward-Facing State (Lipidic Cubic Phase Form)

The structure of Crystal Structure of the Bacterial Nss Member Mhst in An Occluded Inward-Facing State (Lipidic Cubic Phase Form), PDB code: 4us4 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)	39.442 / 2.60
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	44.200, 92.660, 112.500, 90.00, 99.54, 90.00
R / Rfree (%)	20.1 / 25.45

The binding sites of Sodium atom in the Crystal Structure of the Bacterial Nss Member Mhst in An Occluded Inward-Facing State (Lipidic Cubic Phase Form) (pdb code 4us4). 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 (Lipidic Cubic Phase Form), PDB code: 4us4:
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 (Lipidic Cubic Phase Form)


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 (Lipidic Cubic Phase Form) within 5.0Å range: probe atom residue distance (Å) B Occ A:Na701 b:41.7 occ:1.00 O A:ALA320 2.1 32.1 1.0 O A:GLY24 2.3 28.8 1.0 OG A:SER323 2.4 41.4 1.0 OG A:SER324 2.4 24.5 1.0 O A:VAL27 2.4 36.4 1.0 O A:HOH2001 2.4 40.8 1.0 C A:ALA320 3.1 34.2 1.0 N A:SER324 3.2 32.5 1.0 CB A:SER324 3.4 30.1 1.0 C A:GLY24 3.5 39.7 1.0 CA A:ALA320 3.6 30.2 1.0 C A:VAL27 3.6 32.5 1.0 CB A:SER323 3.6 35.0 1.0 C A:SER323 3.6 34.9 1.0 CA A:SER324 3.7 31.1 1.0 CA A:SER323 4.0 34.4 1.0 CB A:ALA320 4.1 19.0 1.0 CA A:GLY28 4.1 29.1 1.0 O A:SER25 4.2 37.5 1.0 O A:SER323 4.3 45.2 1.0 N A:ALA321 4.3 29.7 1.0 N A:SER323 4.3 32.1 1.0 N A:GLY28 4.3 32.9 1.0 N A:SER25 4.4 34.3 1.0 CA A:GLY24 4.4 37.6 1.0 CA A:SER25 4.4 35.2 1.0 C A:SER25 4.5 39.5 1.0 CA A:VAL27 4.7 39.6 1.0 O A:ALA319 4.7 35.5 1.0 CA A:ALA321 4.7 27.3 1.0 N A:VAL27 4.7 33.7 1.0 C A:ALA321 4.9 32.0 1.0 N A:ALA320 4.9 36.1 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 (Lipidic Cubic Phase Form)


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 (Lipidic Cubic Phase Form) within 5.0Å range: probe atom residue distance (Å) B Occ A:Na702 b:28.6 occ:1.00 O A:ALA26 2.2 30.6 1.0 O A:THR231 2.4 29.4 1.0 OG1 A:THR231 2.4 33.2 1.0 OD1 A:ASN31 2.4 34.5 1.0 OXT A:TRP601 2.5 32.6 1.0 OD1 A:ASP263 2.5 32.5 1.0 CA A:THR231 3.0 30.9 1.0 CG A:ASN31 3.0 41.2 1.0 C A:THR231 3.0 32.5 1.0 ND2 A:ASN31 3.2 39.1 1.0 CB A:THR231 3.2 32.2 1.0 C A:TRP601 3.4 30.9 1.0 C A:ALA26 3.4 24.9 1.0 CG A:ASP263 3.4 40.2 1.0 OD2 A:ASP263 3.6 37.8 1.0 N A:TRP601 3.6 22.7 1.0 CA A:TRP601 4.0 32.4 1.0 CA A:VAL27 4.1 39.6 1.0 N A:ASN31 4.1 34.4 1.0 N A:GLY28 4.1 32.9 1.0 N A:VAL27 4.1 33.7 1.0 O A:TRP601 4.2 32.7 1.0 CB A:ASN31 4.3 36.0 1.0 N A:LEU232 4.3 36.4 1.0 N A:THR231 4.4 28.9 1.0 CA A:ALA26 4.4 26.1 1.0 C A:GLY30 4.4 39.8 1.0 CG2 A:THR231 4.4 29.2 1.0 C A:VAL27 4.5 32.5 1.0 CA A:ASN31 4.6 41.8 1.0 CA A:GLY30 4.6 39.1 1.0 O A:PHE230 4.6 32.3 1.0 CB A:ASP263 4.8 30.4 1.0 CB A:ALA26 4.9 33.2 1.0 N A:GLY30 4.9 38.4 1.0 C A:PHE230 4.9 35.9 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