Copper in PDB 1rky: Pplo + Xe

All present enzymatic activity of Pplo + Xe:
1.4.3.13;

The structure of Pplo + Xe, PDB code: 1rky was solved by J.M.Guss, A.P.Duff, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	31.47 / 1.68
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	140.144, 66.702, 108.620, 90.00, 119.24, 90.00
R / Rfree (%)	15.1 / 18.2

The structure of Pplo + Xe also contains other interesting chemical elements:

Magnesium	(Mg)	3 atoms
Xenon	(Xe)	8 atoms
Calcium	(Ca)	2 atoms
Chlorine	(Cl)	6 atoms

The binding sites of Copper atom in the Pplo + Xe (pdb code 1rky). 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 Pplo + Xe, PDB code: 1rky:

Copper binding site 1 out of 1 in the Pplo + Xe


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 1 of Pplo + Xe within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu801 b:32.4 occ:1.00 ND1 A:HIS694 2.0 28.0 1.0 NE2 A:HIS528 2.0 26.6 1.0 NE2 A:HIS530 2.1 31.0 1.0 O4 A:TPQ478 2.4 36.7 0.7 CE1 A:HIS694 2.9 30.8 1.0 CE1 A:HIS528 3.0 28.6 1.0 CD2 A:HIS528 3.0 27.5 1.0 CD2 A:HIS530 3.0 31.8 1.0 CE1 A:HIS530 3.0 31.7 1.0 CG A:HIS694 3.1 25.2 1.0 C4 A:TPQ478 3.1 52.4 0.7 CB A:HIS694 3.4 22.8 1.0 O5 A:TPQ478 3.6 73.7 0.7 C5 A:TPQ478 3.7 70.9 0.7 NE2 A:HIS694 4.1 26.3 1.0 C3 A:TPQ478 4.1 49.2 0.7 ND1 A:HIS528 4.1 26.7 1.0 CG A:HIS528 4.1 23.8 1.0 CD2 A:HIS694 4.1 28.3 1.0 ND1 A:HIS530 4.1 29.6 1.0 O A:HOH2003 4.2 32.9 1.0 CG A:HIS530 4.2 27.9 1.0 CD2 A:LEU692 4.9 32.9 1.0 CA A:HIS694 4.9 23.4 1.0 C6 A:TPQ478 5.0 65.8 0.7

A.P.Duff, D.M.Trambaiolo, A.E.Cohen, P.J.Ellis, G.A.Juda, E.M.Shepard, D.B.Langley, D.M.Dooley, H.C.Freeman, J.M.Guss. Using Xenon As A Probe For Dioxygen-Binding Sites in Copper Amine Oxidases J.Mol.Biol. V. 344 599 2004.
ISSN: ISSN 0022-2836
PubMed: 15533431
DOI: 10.1016/J.JMB.2004.09.075