Copper in PDB 3hii: Crystal Structure of Human Diamine Oxidase in Complex with the Inhibitor Pentamidine

All present enzymatic activity of Crystal Structure of Human Diamine Oxidase in Complex with the Inhibitor Pentamidine:
1.4.3.22;

The structure of Crystal Structure of Human Diamine Oxidase in Complex with the Inhibitor Pentamidine, PDB code: 3hii was solved by A.P.Mcgrath, J.M.Guss, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25.84 / 2.15
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	92.455, 94.690, 196.279, 90.00, 90.00, 90.00
R / Rfree (%)	18.2 / 22.1

The structure of Crystal Structure of Human Diamine Oxidase in Complex with the Inhibitor Pentamidine also contains other interesting chemical elements:

Calcium

(Ca)

4 atoms

The binding sites of Copper atom in the Crystal Structure of Human Diamine Oxidase in Complex with the Inhibitor Pentamidine (pdb code 3hii). This binding sites where shown within 5.0 Angstroms radius around Copper atom.
In total 2 binding sites of Copper where determined in the Crystal Structure of Human Diamine Oxidase in Complex with the Inhibitor Pentamidine, PDB code: 3hii:
Jump to Copper binding site number: 1; 2;

Copper binding site 1 out of 2 in the Crystal Structure of Human Diamine Oxidase in Complex with the Inhibitor Pentamidine


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 1 of Crystal Structure of Human Diamine Oxidase in Complex with the Inhibitor Pentamidine within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu801 b:21.3 occ:1.00 ND1 A:HIS675 2.0 18.9 1.0 NE2 A:HIS512 2.0 22.3 1.0 NE2 A:HIS510 2.1 18.9 1.0 O4 A:TPQ461 2.2 24.9 1.0 CE1 A:HIS510 3.0 19.5 1.0 CG A:HIS675 3.0 19.4 1.0 CE1 A:HIS512 3.0 20.2 1.0 CD2 A:HIS512 3.0 21.4 1.0 CE1 A:HIS675 3.0 20.9 1.0 C4 A:TPQ461 3.1 26.6 1.0 CD2 A:HIS510 3.2 20.1 1.0 CB A:HIS675 3.3 19.9 1.0 C3 A:TPQ461 3.9 27.1 1.0 C5 A:TPQ461 3.9 27.4 1.0 O5 A:TPQ461 3.9 27.8 0.5 O A:HOH752 4.1 16.7 1.0 ND1 A:HIS512 4.1 20.8 1.0 ND1 A:HIS510 4.1 18.0 1.0 NE2 A:HIS675 4.1 20.2 1.0 CD2 A:HIS675 4.1 19.1 1.0 CG A:HIS512 4.1 20.8 1.0 CG A:HIS510 4.2 19.1 1.0 CE1 A:PHE673 4.8 20.4 1.0 CA A:HIS675 4.8 19.6 1.0

Copper binding site 2 out of 2 in the Crystal Structure of Human Diamine Oxidase in Complex with the Inhibitor Pentamidine


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 2 of Crystal Structure of Human Diamine Oxidase in Complex with the Inhibitor Pentamidine within 5.0Å range: probe atom residue distance (Å) B Occ B:Cu801 b:19.6 occ:1.00 NE2 B:HIS512 2.0 17.3 1.0 ND1 B:HIS675 2.0 16.0 1.0 NE2 B:HIS510 2.1 17.4 1.0 O4 B:TPQ461 2.2 21.0 1.0 CD2 B:HIS512 2.9 17.6 1.0 CE1 B:HIS675 3.0 16.9 1.0 CE1 B:HIS510 3.0 17.1 1.0 CE1 B:HIS512 3.0 18.0 1.0 CG B:HIS675 3.0 16.8 1.0 C4 B:TPQ461 3.0 25.3 1.0 CD2 B:HIS510 3.2 17.7 1.0 CB B:HIS675 3.3 17.9 1.0 C3 B:TPQ461 3.9 26.2 1.0 C5 B:TPQ461 3.9 27.3 1.0 O5 B:TPQ461 3.9 27.6 0.5 CG B:HIS512 4.1 18.2 1.0 ND1 B:HIS512 4.1 17.7 1.0 NE2 B:HIS675 4.1 16.7 1.0 CD2 B:HIS675 4.1 16.2 1.0 O B:HOH765 4.2 17.1 1.0 ND1 B:HIS510 4.2 17.5 1.0 CG B:HIS510 4.3 17.9 1.0 CE1 B:PHE673 4.7 18.0 1.0 CA B:HIS675 4.9 17.6 1.0 OG1 B:THR685 5.0 17.1 0.5

A.P.Mcgrath, K.M.Hilmer, C.A.Collyer, E.M.Shepard, B.O.Elmore, D.E.Brown, D.M.Dooley, J.M.Guss. Structure and Inhibition of Human Diamine Oxidase Biochemistry V. 48 9810 2009.
ISSN: ISSN 0006-2960
PubMed: 19764817
DOI: 10.1021/BI9014192