Sodium in PDB 3kn4: Agao 6-Phenyl-2,3-Hexadienylamine Complex

All present enzymatic activity of Agao 6-Phenyl-2,3-Hexadienylamine Complex:
1.4.3.21;

The structure of Agao 6-Phenyl-2,3-Hexadienylamine Complex, PDB code: 3kn4 was solved by Y.H.Nguyen, K.E.Ernberg, J.M.Guss, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	15.01 / 2.05
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	157.888, 63.335, 92.213, 90.00, 112.09, 90.00
R / Rfree (%)	17.6 / 22.1

The structure of Agao 6-Phenyl-2,3-Hexadienylamine Complex also contains other interesting chemical elements:

Copper

(Cu)

1 atom

The binding sites of Sodium atom in the Agao 6-Phenyl-2,3-Hexadienylamine Complex (pdb code 3kn4). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total only one binding site of Sodium was determined in the Agao 6-Phenyl-2,3-Hexadienylamine Complex, PDB code: 3kn4:

Sodium binding site 1 out of 1 in the Agao 6-Phenyl-2,3-Hexadienylamine Complex


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Agao 6-Phenyl-2,3-Hexadienylamine Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Na702 b:29.8 occ:1.00 OD1 A:ASP440 2.3 29.6 1.0 O A:ILE582 2.4 21.8 1.0 O A:MET441 2.4 29.7 1.0 OD1 A:ASP581 2.4 32.4 1.0 O A:HOH760 2.8 26.2 1.0 N A:ILE582 3.2 32.3 1.0 N A:MET441 3.3 24.2 1.0 C A:ILE582 3.4 24.5 1.0 C A:MET441 3.4 27.1 1.0 CG A:ASP440 3.6 28.0 1.0 CG A:ASP581 3.6 37.7 1.0 C A:ASP440 3.8 20.3 1.0 CA A:MET441 3.8 27.9 1.0 C A:ASP581 3.9 34.1 1.0 CA A:ILE582 3.9 28.3 1.0 CD1 A:PHE446 4.1 39.0 1.0 NH2 A:ARG49 4.1 20.7 0.6 CA A:ASP581 4.1 32.4 1.0 CA A:ASP440 4.2 20.8 1.0 CB A:MET441 4.3 26.0 1.0 OD2 A:ASP440 4.4 23.7 1.0 CB A:ASP440 4.5 20.7 1.0 CB A:ASP581 4.5 34.0 1.0 O A:ASP440 4.5 22.4 1.0 OD2 A:ASP581 4.5 39.0 1.0 N A:VAL583 4.5 25.7 1.0 CE1 A:PHE446 4.5 39.8 1.0 N A:ALA442 4.6 29.0 1.0 CG2 A:VAL583 4.7 24.7 1.0 O A:ASP581 4.7 33.7 1.0 CG1 A:ILE582 4.8 31.8 1.0 CA A:VAL583 5.0 23.3 1.0 CB A:TYR546 5.0 22.6 1.0

Y.H.Nguyen, K.E.Ernberg, J.M.Guss. Agao 6-Phenyl-2,3-Hexadienylamine Complex To Be Published.