Copper in PDB 1rjo: Agao + Xe

All present enzymatic activity of Agao + Xe:
1.4.3.6;

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

Resolution Low / High (Å)	26.30 / 1.67
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	158.009, 63.189, 92.149, 90.00, 112.09, 90.00
R / Rfree (%)	15.7 / 17.8

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

Xenon	(Xe)	7 atoms
Sodium	(Na)	1 atom

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

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


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 1 of Agao + Xe within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu701 b:23.7 occ:1.00 NE2 A:HIS433 2.0 15.6 1.0 ND1 A:HIS592 2.0 19.4 1.0 NE2 A:HIS431 2.1 14.4 1.0 O A:HOH1745 2.8 29.1 1.0 CD2 A:HIS431 3.0 13.8 1.0 CG A:HIS592 3.0 14.7 1.0 CD2 A:HIS433 3.0 16.6 1.0 CE1 A:HIS433 3.0 17.4 1.0 CE1 A:HIS592 3.0 16.6 1.0 CE1 A:HIS431 3.0 14.4 1.0 CB A:HIS592 3.3 13.9 1.0 O A:HOH1550 3.5 40.0 1.0 ND1 A:HIS433 4.1 15.0 1.0 ND1 A:HIS431 4.1 12.3 1.0 CG A:HIS431 4.1 12.9 1.0 NE2 A:HIS592 4.1 15.9 1.0 CD2 A:HIS592 4.2 15.7 1.0 CG A:HIS433 4.2 13.7 1.0 O A:HOH1208 4.5 23.1 1.0 CA A:HIS592 4.8 14.4 1.0 SD A:MET602 4.9 31.3 1.0 O A:HOH1551 4.9 37.2 1.0 O2 A:TPQ382 4.9 28.5 1.0

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