Copper in PDB 3kii: Agao 5-Phenoxy-2,3-Pentadienylamine Complex

All present enzymatic activity of Agao 5-Phenoxy-2,3-Pentadienylamine Complex:
1.4.3.21;

The structure of Agao 5-Phenoxy-2,3-Pentadienylamine Complex, PDB code: 3kii 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)	12.99 / 1.90
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	192.714, 62.984, 158.151, 90.00, 117.39, 90.00
R / Rfree (%)	17.4 / 21.8

The structure of Agao 5-Phenoxy-2,3-Pentadienylamine Complex also contains other interesting chemical elements:

Sodium

(Na)

2 atoms

The binding sites of Copper atom in the Agao 5-Phenoxy-2,3-Pentadienylamine Complex (pdb code 3kii). This binding sites where shown within 5.0 Angstroms radius around Copper atom.
In total 2 binding sites of Copper where determined in the Agao 5-Phenoxy-2,3-Pentadienylamine Complex, PDB code: 3kii:
Jump to Copper binding site number: 1; 2;

Copper binding site 1 out of 2 in the Agao 5-Phenoxy-2,3-Pentadienylamine Complex


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 1 of Agao 5-Phenoxy-2,3-Pentadienylamine Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu701 b:33.5 occ:1.00 NE2 A:HIS431 2.1 26.2 1.0 NE2 A:HIS433 2.2 29.2 1.0 ND1 A:HIS592 2.2 30.9 1.0 O A:HOH780 2.7 14.4 1.0 CD2 A:HIS431 3.1 24.9 1.0 CE1 A:HIS431 3.1 24.6 1.0 CD2 A:HIS433 3.1 27.3 1.0 CG A:HIS592 3.1 25.4 1.0 CE1 A:HIS433 3.1 28.3 1.0 CE1 A:HIS592 3.2 30.3 1.0 CB A:HIS592 3.4 26.0 1.0 ND1 A:HIS431 4.2 23.8 1.0 CG A:HIS431 4.2 23.7 1.0 ND1 A:HIS433 4.2 21.4 1.0 CG A:HIS433 4.3 26.7 1.0 NE2 A:HIS592 4.3 29.2 1.0 CD2 A:HIS592 4.3 30.1 1.0 O A:HOH716 4.4 18.8 1.0 O A:HOH905 4.4 28.3 1.0 SD A:MET602 4.8 45.8 1.0 OAD A:P2Q382 4.9 35.9 1.0 CA A:HIS592 4.9 25.5 1.0

Copper binding site 2 out of 2 in the Agao 5-Phenoxy-2,3-Pentadienylamine Complex


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 2 of Agao 5-Phenoxy-2,3-Pentadienylamine Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Cu701 b:29.7 occ:1.00 NE2 B:HIS431 2.0 23.1 1.0 NE2 B:HIS433 2.1 24.0 1.0 ND1 B:HIS592 2.1 30.5 1.0 O B:HOH659 2.7 17.5 1.0 CD2 B:HIS433 3.0 28.4 1.0 CD2 B:HIS431 3.0 22.2 1.0 CE1 B:HIS431 3.0 21.9 1.0 CG B:HIS592 3.1 31.8 1.0 CE1 B:HIS592 3.1 33.6 1.0 CE1 B:HIS433 3.2 23.2 1.0 CB B:HIS592 3.4 26.8 1.0 ND1 B:HIS431 4.1 22.5 1.0 CG B:HIS431 4.1 19.4 1.0 CG B:HIS433 4.2 25.5 1.0 ND1 B:HIS433 4.2 21.1 1.0 NE2 B:HIS592 4.2 29.4 1.0 CD2 B:HIS592 4.3 30.2 1.0 O B:HOH879 4.4 23.6 1.0 O B:HOH898 4.6 28.4 1.0 SD B:MET602 4.8 42.4 1.0 CA B:HIS592 4.9 27.6 1.0 OAD B:P2Q382 4.9 33.6 1.0 CE B:MET602 5.0 49.3 1.0

Y.H.Nguyen, K.E.Ernberg, J.M.Guss. Agao 5-Phenoxy-2,3-Pentadienylamine Complex To Be Published.