Copper in PDB 1n68: Copper Bound to the Multicopper Oxidase Cueo

The structure of Copper Bound to the Multicopper Oxidase Cueo, PDB code: 1n68 was solved by S.A.Roberts, G.F.Wildner, G.Grass, A.Weichsel, A.Ambrus, C.Rensing, W.R.Montfort, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	26.30 / 1.70
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	50.000, 90.941, 53.809, 90.00, 102.35, 90.00
R / Rfree (%)	17.1 / 22.2

The structure of Copper Bound to the Multicopper Oxidase Cueo also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Copper atom in the Copper Bound to the Multicopper Oxidase Cueo (pdb code 1n68). This binding sites where shown within 5.0 Angstroms radius around Copper atom.
In total 6 binding sites of Copper where determined in the Copper Bound to the Multicopper Oxidase Cueo, PDB code: 1n68:
Jump to Copper binding site number: 1; 2; 3; 4; 5; 6;

Copper binding site 1 out of 6 in the Copper Bound to the Multicopper Oxidase Cueo


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 1 of Copper Bound to the Multicopper Oxidase Cueo within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu701 b:19.9 occ:1.00 ND1 A:HIS505 2.1 14.5 1.0 ND1 A:HIS443 2.1 13.3 1.0 SG A:CYS500 2.2 13.2 1.0 CE1 A:HIS443 3.0 15.7 1.0 CE1 A:HIS505 3.0 15.2 1.0 CG A:HIS505 3.1 9.5 1.0 CG A:HIS443 3.2 11.4 1.0 CB A:CYS500 3.2 20.3 1.0 SD A:MET510 3.3 16.5 1.0 CB A:HIS505 3.4 12.4 1.0 CB A:HIS443 3.4 16.9 1.0 O A:LEU442 3.6 16.6 1.0 CA A:HIS443 3.7 14.4 1.0 CB A:LEU502 4.0 14.4 1.0 CE A:MET510 4.1 17.4 1.0 NE2 A:HIS505 4.1 15.1 1.0 NE2 A:HIS443 4.2 13.6 1.0 CD2 A:HIS505 4.2 13.4 1.0 CD2 A:HIS443 4.2 12.5 1.0 C A:LEU442 4.4 13.4 1.0 N A:HIS443 4.4 13.5 1.0 CA A:CYS500 4.6 14.5 1.0 CD1 A:LEU502 4.6 15.7 1.0 CG A:MET510 4.7 13.8 1.0 CG A:LEU502 4.8 12.7 1.0 CA A:HIS505 4.9 13.4 1.0 C A:HIS443 4.9 11.6 1.0 O A:LEU502 5.0 14.2 1.0 N A:LEU502 5.0 11.9 1.0

Copper binding site 2 out of 6 in the Copper Bound to the Multicopper Oxidase Cueo


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 2 of Copper Bound to the Multicopper Oxidase Cueo within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu703 b:24.1 occ:1.00 NE2 A:HIS446 2.0 13.3 1.0 NE2 A:HIS101 2.0 12.6 1.0 CD2 A:HIS446 2.8 15.5 1.0 CE1 A:HIS101 2.9 16.5 1.0 O A:HOH2018 2.9 16.2 1.0 CD2 A:HIS101 3.0 13.6 1.0 CE1 A:HIS446 3.0 13.8 1.0 CL A:C2C702 3.1 21.4 1.0 CD2 A:HIS448 3.1 13.1 1.0 NE2 A:HIS448 3.2 13.6 1.0 CU2 A:C2C702 3.6 23.6 1.0 CG A:HIS103 3.6 12.0 1.0 ND1 A:HIS103 3.7 11.2 1.0 CA A:HIS103 3.7 15.8 1.0 CB A:HIS103 3.8 15.7 1.0 CG A:HIS448 3.8 14.4 1.0 CE1 A:HIS448 4.0 17.4 1.0 CG A:HIS446 4.0 10.8 1.0 ND1 A:HIS101 4.0 14.3 1.0 CU3 A:C2C702 4.1 21.1 1.0 ND1 A:HIS446 4.1 16.4 1.0 CG A:HIS101 4.1 13.1 1.0 CE1 A:HIS103 4.2 10.5 1.0 CD2 A:HIS103 4.2 12.8 1.0 ND1 A:HIS448 4.3 15.3 1.0 N A:HIS103 4.5 10.5 1.0 N A:GLY104 4.5 11.6 1.0 NE2 A:HIS103 4.5 12.0 1.0 CA A:HIS448 4.6 12.4 1.0 C A:HIS103 4.7 13.2 1.0 CB A:HIS448 4.7 16.3 1.0 O A:HOH2058 4.9 19.1 1.0 O A:TRP102 4.9 13.7 1.0 NE2 A:HIS499 4.9 15.1 1.0

Copper binding site 3 out of 6 in the Copper Bound to the Multicopper Oxidase Cueo


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 3 of Copper Bound to the Multicopper Oxidase Cueo within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu704 b:38.5 occ:1.00 OD1 A:ASP439 2.1 36.7 1.0 SD A:MET355 2.2 25.4 1.0 OD1 A:ASP360 2.4 31.1 1.0 SD A:MET441 2.5 31.4 1.0 CE A:MET355 2.9 19.8 1.0 CG A:ASP439 2.9 34.8 1.0 OD2 A:ASP360 2.9 42.3 1.0 CG A:ASP360 3.0 37.6 1.0 O A:HOH2301 3.1 32.9 1.0 CG A:MET355 3.1 24.8 1.0 OD2 A:ASP439 3.1 24.6 1.0 CE A:MET441 3.2 26.3 1.0 CG A:MET441 3.4 22.3 1.0 CB A:MET355 3.6 22.7 1.0 CB A:MET441 3.8 19.9 1.0 N A:MET441 4.2 16.8 1.0 CB A:ASP439 4.3 25.6 1.0 N A:MET440 4.3 19.5 1.0 CB A:ASP360 4.4 26.6 1.0 O A:HOH2330 4.6 48.3 1.0 CA A:MET441 4.7 16.3 1.0 CA A:ASP439 4.7 19.3 1.0 C A:ASP439 5.0 15.2 1.0 CA A:MET355 5.0 17.4 1.0

Copper binding site 4 out of 6 in the Copper Bound to the Multicopper Oxidase Cueo


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 4 of Copper Bound to the Multicopper Oxidase Cueo within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu705 b:30.2 occ:0.50 NE2 A:HIS488 1.9 30.6 1.0 OD2 A:ASP132 2.0 39.5 1.0 O A:HOH2001 2.4 18.9 1.0 CG A:ASP132 2.6 36.2 1.0 OD1 A:ASP132 2.7 43.0 1.0 CD2 A:HIS488 2.7 21.1 1.0 CE1 A:HIS488 3.0 23.2 1.0 O A:GLU106 3.8 20.9 1.0 O A:ASN130 3.9 22.8 1.0 CG A:HIS488 3.9 23.1 1.0 ND1 A:HIS488 4.0 23.9 1.0 O A:HOH2064 4.0 24.9 1.0 CB A:ASP132 4.1 32.6 1.0 O A:HOH2077 4.8 21.9 1.0 C A:GLU106 4.9 18.0 1.0 N A:ASP132 5.0 16.5 1.0

Copper binding site 5 out of 6 in the Copper Bound to the Multicopper Oxidase Cueo


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 5 of Copper Bound to the Multicopper Oxidase Cueo within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu702 b:23.6 occ:1.00 CU2 A:C2C702 0.0 23.6 1.0 NE2 A:HIS448 2.0 13.6 1.0 NE2 A:HIS143 2.0 16.7 1.0 NE2 A:HIS499 2.1 15.1 1.0 CL A:C2C702 2.3 21.4 1.0 CE1 A:HIS448 2.9 17.4 1.0 CD2 A:HIS448 3.0 13.1 1.0 CD2 A:HIS143 3.0 15.8 1.0 CE1 A:HIS143 3.0 18.4 1.0 CE1 A:HIS499 3.0 20.0 1.0 CD2 A:HIS499 3.1 17.1 1.0 CU A:CU703 3.6 24.1 1.0 CD2 A:HIS446 3.8 15.5 1.0 NE2 A:HIS101 4.0 12.6 1.0 ND1 A:HIS448 4.1 15.3 1.0 ND1 A:HIS143 4.1 16.7 1.0 CG A:HIS448 4.1 14.4 1.0 ND1 A:HIS499 4.1 14.9 1.0 CD2 A:HIS101 4.1 13.6 1.0 CG A:HIS143 4.2 12.7 1.0 CG A:HIS499 4.2 15.1 1.0 NE2 A:HIS446 4.3 13.3 1.0 CB A:MET497 4.5 14.3 1.0 CE1 A:HIS101 4.7 16.5 1.0 OE1 A:GLU506 4.8 26.3 1.0 CU3 A:C2C702 4.8 21.1 1.0 CG A:HIS101 4.9 13.1 1.0 CE1 A:HIS141 4.9 11.3 1.0 CG A:MET497 5.0 12.8 1.0 CG A:HIS446 5.0 10.8 1.0

Copper binding site 6 out of 6 in the Copper Bound to the Multicopper Oxidase Cueo


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 6 of Copper Bound to the Multicopper Oxidase Cueo within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu702 b:21.1 occ:1.00 CU3 A:C2C702 0.0 21.1 1.0 NE2 A:HIS141 2.0 13.2 1.0 ND1 A:HIS103 2.1 11.2 1.0 NE2 A:HIS501 2.2 10.6 1.0 CL A:C2C702 2.5 21.4 1.0 CD2 A:HIS141 2.9 12.5 1.0 CE1 A:HIS103 2.9 10.5 1.0 CE1 A:HIS141 3.0 11.3 1.0 CD2 A:HIS501 3.1 15.3 1.0 CE1 A:HIS501 3.2 16.0 1.0 CG A:HIS103 3.2 12.0 1.0 CB A:HIS103 3.5 15.7 1.0 CZ2 A:TRP139 3.7 11.3 1.0 CE2 A:TRP139 4.0 10.5 1.0 ND1 A:HIS141 4.1 14.6 1.0 CU A:CU703 4.1 24.1 1.0 CG A:HIS141 4.1 11.1 1.0 NE1 A:TRP139 4.1 12.7 1.0 NE2 A:HIS103 4.1 12.0 1.0 CD2 A:HIS103 4.2 12.8 1.0 ND1 A:HIS501 4.3 11.8 1.0 CG A:HIS501 4.3 10.2 1.0 CD2 A:HIS101 4.3 13.6 1.0 CH2 A:TRP139 4.5 16.4 1.0 CD2 A:HIS446 4.5 15.5 1.0 NE2 A:HIS446 4.5 13.3 1.0 NE2 A:HIS101 4.7 12.6 1.0 CA A:HIS103 4.8 15.8 1.0 CU2 A:C2C702 4.8 23.6 1.0

S.A.Roberts, G.F.Wildner, G.Grass, A.Weichsel, A.Ambrus, C.Rensing, W.R.Montfort. A Labile Regulatory Copper Ion Lies Near the T1 Copper Site in the Multicopper Oxidase Cueo. J.Biol.Chem. V. 278 31958 2003.
ISSN: ISSN 0021-9258
PubMed: 12794077
DOI: 10.1074/JBC.M302963200