Sodium in the structure of Leucine Transporter Leut in Complex With Sertraline (pdb 3gwu)

The binding sites of Sodium atom in the structure of Leucine Transporter Leut in Complex With Sertraline (pdb code 3gwu). This binding sites where shown with 5.0 Angstroms radius around Sodium atom. The 3gwu structure was solved by Z.ZHOU, J.ZHEN, N.K.KARPOWICH, C.J.LAW, M.E.A.REITH, D.N.WANG, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 47.5-2.1 Space group C121 a (A) 88.338 b (A) 86.850 c (A) 81.308 alpha (°) 90.00 beta (°) 95.65 gamma (°) 90.00 Rfactor (%) 20.3 Rfree (%) 22.7 Sodium Binding Sites: Sodium binding site 1 out of 2 in 3gwu Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Sodium in the PDB 3gwu. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Sodium atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: A: Gly20, A: Asn21, A: Ala22, A: Val23, A: Gly24, A: Phe350, A: Ala351, A: Gly352, A: Thr354, A: Ser355, conact list: Atom Atom Distance (A) Na O A:Gly20 2.28 Na C A:Gly20 3.41 Na CA A:Gly20 3.99 Na O A:Asn21 4.41 Na N A:Asn21 4.54 Na C A:Asn21 4.64 Na CA A:Asn21 4.91 Na C A:Ala22 4.83 Na O A:Val23 2.10 Na N A:Val23 4.32 Na CB A:Val23 4.79 Na C A:Val23 3.12 Na CA A:Val23 4.21 Na N A:Gly24 3.78 Na CA A:Gly24 3.64 Na O A:Phe350 4.40 Na O A:Ala351 2.30 Na C A:Ala351 3.40 Na CB A:Ala351 4.80 Na CA A:Ala351 3.95 Na O A:Gly352 4.74 Na N A:Gly352 4.54 Na C A:Gly352 4.78 Na CA A:Gly352 4.91 Na O A:Thr354 4.21 Na N A:Thr354 4.08 Na CB A:Thr354 3.33 Na CG2 A:Thr354 4.59 Na OG1 A:Thr354 2.21 Na C A:Thr354 3.46 Na CA A:Thr354 3.77 Na N A:Ser355 3.04 Na CB A:Ser355 3.44 Na OG A:Ser355 2.51 Na CA A:Ser355 3.65 interactive model: Sodium binding site 2 out of 2 in 3gwu Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Sodium in the PDB 3gwu. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Sodium atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: A: Ala22, A: Val23, A: Gly24, A: Gly26, A: Asn27, A: Phe253, A: Thr254, A: Leu255, A: Asn286, A: Glu290, A: Leu601, conact list: Atom Atom Distance (A) Na O A:Ala22 2.20 Na C A:Ala22 3.14 Na CB A:Ala22 4.48 Na CA A:Ala22 4.13 Na N A:Val23 3.84 Na C A:Val23 4.29 Na CA A:Val23 3.78 Na N A:Gly24 3.78 Na CA A:Gly24 4.84 Na C A:Gly26 4.77 Na CA A:Gly26 4.87 Na N A:Asn27 4.26 Na CB A:Asn27 4.45 Na ND2 A:Asn27 3.49 Na OD1 A:Asn27 2.20 Na CG A:Asn27 3.13 Na CA A:Asn27 4.75 Na O A:Phe253 4.87 Na O A:Thr254 2.39 Na N A:Thr254 4.72 Na CB A:Thr254 3.54 Na CG2 A:Thr254 4.63 Na OG1 A:Thr254 2.57 Na C A:Thr254 3.21 Na CA A:Thr254 3.35 Na N A:Leu255 4.48 Na CB A:Asn286 4.84 Na ND2 A:Asn286 3.64 Na OD1 A:Asn286 2.54 Na CG A:Asn286 3.43 Na OE2 A:Glu290 4.21 Na O A:Leu601 4.50 Na N A:Leu601 3.70 Na C A:Leu601 3.63 Na CA A:Leu601 4.25 Na OXT A:Leu601 2.61 interactive model: