Sodium in the structure of 3D-Crystal Structure of Humanized-Rat Fatty Acid Amide Hydrolase (Faah) Conjugated With the Drug-Like Urea Inhibitor Pf-3845 (pdb 2wap)

The binding sites of Sodium atom in the structure of 3D-Crystal Structure of Humanized-Rat Fatty Acid Amide Hydrolase (Faah) Conjugated With the Drug-Like Urea Inhibitor Pf-3845 (pdb code 2wap). This binding sites where shown with 5.0 Angstroms radius around Sodium atom. The 2wap structure was solved by M.MILENI, S.KAMTEKAR, R.C.STEVENS, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 37.0-2.8 Space group P212121 a (A) 102.770 b (A) 105.200 c (A) 148.030 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 19.2 Rfree (%) 23.2 Sodium Binding Sites: Sodium binding site 1 out of 3 in 2wap Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Sodium in the PDB 2wap. 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: Glu373, A: Pro427, A: Arg428, A: Phe527, conact list: Atom Atom Distance (A) Na OE1 A:Glu373 3.18 Na OE2 A:Glu373 3.14 Na CD A:Glu373 3.57 Na O A:Pro427 4.40 Na CB A:Pro427 4.28 Na C A:Pro427 4.56 Na N A:Arg428 4.81 Na CE2 A:Phe527 4.75 interactive model: Sodium binding site 2 out of 3 in 2wap Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Sodium in the PDB 2wap. 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: B: Glu373, B: Pro427, B: Arg428, B: Phe527, conact list: Atom Atom Distance (A) Na OE1 B:Glu373 2.99 Na OE2 B:Glu373 3.41 Na CD B:Glu373 3.60 Na O B:Pro427 4.19 Na CB B:Pro427 3.94 Na C B:Pro427 4.17 Na CG B:Pro427 4.81 Na CA B:Pro427 4.72 Na N B:Arg428 4.30 Na CG B:Arg428 4.52 Na CA B:Arg428 4.51 Na CE2 B:Phe527 4.39 Na CZ B:Phe527 4.84 interactive model: Sodium binding site 3 out of 3 in 2wap Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Sodium in the PDB 2wap. 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: B: Ala431, B: Asn434, B: Asn435, B: Hoh2017, conact list: Atom Atom Distance (A) Na O B:Ala431 4.33 Na N B:Ala431 4.76 Na C B:Ala431 4.59 Na CB B:Ala431 4.03 Na CA B:Ala431 3.81 Na CB B:Asn434 4.19 Na ND2 B:Asn434 3.51 Na CG B:Asn434 4.33 Na ND2 B:Asn435 3.39 Na OD1 B:Asn435 4.70 Na CG B:Asn435 4.46 Na O B:Hoh2017 4.30 interactive model: