Sodium in PDB 4hod: Crystal Structure of Leut-E290S with Bound Cl

The structure of Crystal Structure of Leut-E290S with Bound Cl, PDB code: 4hod was solved by A.K.Kantcheva, M.Quick, L.Shi, A.M.L.Winther, S.Stolzenberg, H.Weinstein, J.A.Javitch, P.Nissen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.62 / 3.30
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	87.580, 87.480, 80.860, 90.00, 95.00, 90.00
R / Rfree (%)	19 / 25.4

The structure of Crystal Structure of Leut-E290S with Bound Cl also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Sodium atom in the Crystal Structure of Leut-E290S with Bound Cl (pdb code 4hod). 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 Leut-E290S with Bound Cl, PDB code: 4hod:
Jump to Sodium binding site number: 1; 2;

Sodium binding site 1 out of 2 in the Crystal Structure of Leut-E290S with Bound Cl


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 Leut-E290S with Bound Cl within 5.0Å range: probe atom residue distance (Å) B Occ A:Na602 b:96.0 occ:1.00 O A:THR254 2.3 97.5 1.0 OD1 A:ASN27 2.3 81.4 1.0 O A:ALA22 2.4 90.7 1.0 OD1 A:ASN286 2.5 89.4 1.0 OG1 A:THR254 2.6 99.2 1.0 OXT A:LEU601 2.7 95.1 1.0 C A:THR254 3.0 98.3 1.0 CA A:THR254 3.1 97.0 1.0 CG A:ASN27 3.2 90.9 1.0 C A:ALA22 3.2 88.4 1.0 CG A:ASN286 3.4 94.2 1.0 CB A:THR254 3.4 93.4 1.0 ND2 A:ASN27 3.4 95.4 1.0 ND2 A:ASN286 3.6 94.9 1.0 C A:LEU601 3.7 95.8 1.0 N A:LEU601 3.7 91.4 1.0 CA A:VAL23 3.8 80.9 1.0 N A:VAL23 3.8 83.0 1.0 N A:GLY24 3.9 88.0 1.0 CA A:ALA22 4.2 90.9 1.0 CA A:LEU601 4.2 90.2 1.0 N A:LEU255 4.3 99.0 1.0 CB A:ALA22 4.4 91.8 1.0 C A:VAL23 4.4 85.3 1.0 CG2 A:THR254 4.4 86.9 1.0 N A:THR254 4.4 93.6 1.0 N A:ASN27 4.5 90.4 1.0 CB A:ASN27 4.5 96.2 1.0 O A:PHE253 4.6 0.5 1.0 O A:LEU601 4.6 87.8 1.0 CB A:ASN286 4.8 91.8 1.0 CA A:ASN27 4.9 95.0 1.0 C A:PHE253 4.9 97.6 1.0 CA A:GLY24 5.0 83.6 1.0

Sodium binding site 2 out of 2 in the Crystal Structure of Leut-E290S with Bound Cl


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 Leut-E290S with Bound Cl within 5.0Å range: probe atom residue distance (Å) B Occ A:Na603 b:84.9 occ:1.00 O A:VAL23 2.2 89.9 1.0 O A:ALA351 2.3 74.1 1.0 OG A:SER355 2.3 81.3 1.0 OG1 A:THR354 2.3 75.6 1.0 O A:GLY20 2.4 89.0 1.0 N A:SER355 3.1 82.7 1.0 C A:VAL23 3.2 85.3 1.0 CB A:SER355 3.2 77.2 1.0 CB A:THR354 3.3 77.3 1.0 C A:ALA351 3.3 78.8 1.0 C A:THR354 3.4 88.4 1.0 CA A:GLY24 3.5 83.6 1.0 C A:GLY20 3.5 91.1 1.0 CA A:SER355 3.5 79.7 1.0 N A:GLY24 3.7 88.0 1.0 CA A:THR354 3.8 79.9 1.0 CA A:ALA351 3.9 73.4 1.0 O A:THR354 4.0 93.7 1.0 N A:THR354 4.1 74.0 1.0 CA A:GLY20 4.2 86.7 1.0 O A:ASN21 4.2 97.9 1.0 CA A:VAL23 4.3 80.9 1.0 N A:GLY352 4.4 79.4 1.0 O A:PHE350 4.5 81.9 1.0 N A:VAL23 4.5 83.0 1.0 C A:ASN21 4.6 92.8 1.0 N A:ASN21 4.6 92.9 1.0 CG2 A:THR354 4.6 83.8 1.0 CB A:ALA351 4.7 69.7 1.0 CA A:GLY352 4.8 72.9 1.0 CB A:VAL23 4.8 80.0 1.0 C A:GLY24 4.9 83.8 1.0 C A:ALA22 4.9 88.4 1.0 CA A:ASN21 4.9 88.1 1.0 C A:GLY352 4.9 73.0 1.0

A.K.Kantcheva, M.Quick, L.Shi, A.M.L.Winther, S.Stolzenberg, H.Weinstein, J.A.Javitch, P.Nissen. The Chloride Binding Site of Neurotransmitter Sodium Symporters Proc.Natl.Acad.Sci.Usa 2013.
ISSN: ESSN 1091-6490