Copper 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:

Sodium

(Na)

1 atom

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

Copper 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 Copper with other atoms in the Cu binding site number 1 of Agao 6-Phenyl-2,3-Hexadienylamine Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu701 b:33.4 occ:1.00 NE2 A:HIS431 2.1 24.2 1.0 NE2 A:HIS433 2.2 30.0 1.0 ND1 A:HIS592 2.2 29.6 1.0 O A:HOH759 2.9 28.7 1.0 CD2 A:HIS433 3.0 29.8 1.0 CD2 A:HIS431 3.0 21.5 1.0 CE1 A:HIS431 3.1 25.4 1.0 CG A:HIS592 3.2 32.2 1.0 CE1 A:HIS433 3.2 23.3 1.0 CE1 A:HIS592 3.2 31.4 1.0 CB A:HIS592 3.4 24.6 1.0 ND1 A:HIS431 4.1 20.1 1.0 CG A:HIS431 4.2 19.9 1.0 CG A:HIS433 4.2 25.9 1.0 ND1 A:HIS433 4.3 26.4 1.0 NE2 A:HIS592 4.3 29.5 1.0 CD2 A:HIS592 4.3 37.9 1.0 O A:HOH708 4.5 23.1 1.0 SD A:MET602 4.8 41.1 1.0 CE A:MET602 4.8 43.1 1.0 OAD A:P3Q382 4.8 39.1 1.0 O A:HOH915 4.8 37.0 1.0 CA A:HIS592 5.0 24.6 1.0

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