Copper in PDB 3od3: Cueo at 1.1 A Resolution Including Residues in Previously Disordered Region

The structure of Cueo at 1.1 A Resolution Including Residues in Previously Disordered Region, PDB code: 3od3 was solved by W.R.Montfort, S.A.Roberts, S.K.Singh, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.00 / 1.10
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	50.162, 90.766, 53.639, 90.00, 102.99, 90.00
R / Rfree (%)	15.4 / 18.5

The binding sites of Copper atom in the Cueo at 1.1 A Resolution Including Residues in Previously Disordered Region (pdb code 3od3). This binding sites where shown within 5.0 Angstroms radius around Copper atom.
In total 4 binding sites of Copper where determined in the Cueo at 1.1 A Resolution Including Residues in Previously Disordered Region, PDB code: 3od3:
Jump to Copper binding site number: 1; 2; 3; 4;

Copper binding site 1 out of 4 in the Cueo at 1.1 A Resolution Including Residues in Previously Disordered Region


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 1 of Cueo at 1.1 A Resolution Including Residues in Previously Disordered Region within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu601 b:13.6 occ:1.00 ND1 A:HIS505 2.0 13.8 1.0 ND1 A:HIS443 2.1 13.0 1.0 SG A:CYS500 2.2 13.2 1.0 CE1 A:HIS505 3.0 14.6 1.0 CE1 A:HIS443 3.0 13.5 1.0 CG A:HIS505 3.0 13.1 1.0 CG A:HIS443 3.1 14.2 1.0 CB A:CYS500 3.2 13.2 1.0 SD A:MET510 3.3 14.7 1.0 CB A:HIS505 3.4 12.7 1.0 CB A:HIS443 3.5 12.8 1.0 CA A:HIS443 3.7 12.8 1.0 O A:LEU442 3.7 16.4 1.0 CE A:MET510 4.0 18.2 1.0 CB A:LEU502 4.1 12.1 1.0 NE2 A:HIS505 4.1 14.6 1.0 NE2 A:HIS443 4.2 14.5 1.0 CD2 A:HIS505 4.2 13.2 1.0 CD2 A:HIS443 4.2 14.2 1.0 C A:LEU442 4.4 13.9 1.0 N A:HIS443 4.4 12.7 1.0 CA A:CYS500 4.6 12.0 1.0 CD1 A:LEU502 4.7 14.9 1.0 CG A:MET510 4.8 15.1 1.0 CA A:HIS505 4.9 13.1 1.0 C A:HIS443 4.9 12.9 1.0 CG A:LEU502 4.9 13.0 1.0 O A:LEU502 4.9 12.5 1.0 N A:LEU502 5.0 11.7 1.0

Copper binding site 2 out of 4 in the Cueo at 1.1 A Resolution Including Residues in Previously Disordered Region


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 2 of Cueo at 1.1 A Resolution Including Residues in Previously Disordered Region within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu602 b:14.5 occ:0.75 NE2 A:HIS446 1.9 13.5 1.0 NE2 A:HIS101 1.9 14.8 1.0 O2 A:EDO1 2.5 15.4 0.5 O2 A:EDO1 2.7 19.0 0.5 CE1 A:HIS101 2.8 14.7 1.0 CE1 A:HIS446 2.9 13.5 1.0 CD2 A:HIS446 2.9 13.1 1.0 CD2 A:HIS101 3.0 14.3 1.0 CD2 A:HIS448 3.2 15.0 1.0 NE2 A:HIS448 3.3 14.9 1.0 C1 A:EDO1 3.5 15.7 0.5 CA A:HIS103 3.6 11.0 1.0 CG A:HIS103 3.6 10.9 1.0 O A:O702 3.7 33.7 1.0 C2 A:EDO1 3.7 19.7 0.5 ND1 A:HIS103 3.7 12.2 1.0 C2 A:EDO1 3.8 20.6 0.5 CG A:HIS448 3.8 13.9 1.0 CB A:HIS103 3.8 11.1 1.0 CE1 A:HIS448 3.9 15.1 1.0 CU A:CU603 3.9 18.7 1.0 ND1 A:HIS101 4.0 14.6 1.0 ND1 A:HIS446 4.0 13.8 1.0 CG A:HIS446 4.0 12.7 1.0 CG A:HIS101 4.1 12.9 1.0 CD2 A:HIS103 4.1 11.2 1.0 ND1 A:HIS448 4.1 15.1 1.0 CE1 A:HIS103 4.3 11.3 1.0 N A:GLY104 4.3 12.3 1.0 CU A:CU604 4.3 15.4 1.0 N A:HIS103 4.5 11.5 1.0 NE2 A:HIS103 4.5 11.9 1.0 C A:HIS103 4.5 10.9 1.0 CA A:HIS448 4.6 14.0 1.0 O1 A:EDO1 4.7 17.8 0.5 CB A:HIS448 4.7 14.2 1.0 O1 A:EDO1 4.7 18.2 0.5 O A:TRP102 4.7 14.5 1.0 C1 A:EDO1 4.8 18.2 0.5 C A:TRP102 5.0 12.5 1.0 N A:HIS448 5.0 15.1 1.0

Copper binding site 3 out of 4 in the Cueo at 1.1 A Resolution Including Residues in Previously Disordered Region


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 3 of Cueo at 1.1 A Resolution Including Residues in Previously Disordered Region within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu603 b:18.7 occ:1.00 NE2 A:HIS448 1.9 14.9 1.0 NE2 A:HIS499 2.0 14.2 1.0 NE2 A:HIS143 2.0 18.6 1.0 O A:O702 2.3 33.7 1.0 CE1 A:HIS448 2.8 15.1 1.0 CD2 A:HIS499 2.9 14.2 1.0 CE1 A:HIS143 2.9 18.5 1.0 CE1 A:HIS499 3.0 14.4 1.0 CD2 A:HIS448 3.0 15.0 1.0 CD2 A:HIS143 3.0 15.1 1.0 O A:HOH895 3.7 29.8 1.0 CD2 A:HIS446 3.7 13.1 1.0 CU A:CU602 3.9 14.5 0.8 ND1 A:HIS448 4.0 15.1 1.0 CG A:HIS499 4.0 13.8 1.0 ND1 A:HIS499 4.0 13.5 1.0 ND1 A:HIS143 4.1 17.5 1.0 CG A:HIS448 4.1 13.9 1.0 NE2 A:HIS101 4.1 14.8 1.0 CG A:HIS143 4.2 14.7 1.0 CD2 A:HIS101 4.2 14.3 1.0 NE2 A:HIS446 4.2 13.5 1.0 CB A:MET497 4.4 14.9 1.0 CE1 A:HIS101 4.8 14.7 1.0 CG A:HIS101 4.8 12.9 1.0 CG A:MET497 4.9 15.7 1.0 CU A:CU604 4.9 15.4 1.0 OE2 A:GLU506 4.9 31.2 1.0 CG A:HIS446 4.9 12.7 1.0

Copper binding site 4 out of 4 in the Cueo at 1.1 A Resolution Including Residues in Previously Disordered Region


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 4 of Cueo at 1.1 A Resolution Including Residues in Previously Disordered Region within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu604 b:15.4 occ:1.00 ND1 A:HIS103 2.0 12.2 1.0 NE2 A:HIS141 2.0 13.7 1.0 NE2 A:HIS501 2.1 13.2 1.0 O A:O702 2.6 33.7 1.0 CE1 A:HIS103 2.9 11.3 1.0 CE1 A:HIS141 2.9 13.0 1.0 CD2 A:HIS141 3.0 13.4 1.0 CE1 A:HIS501 3.0 13.6 1.0 CG A:HIS103 3.0 10.9 1.0 CD2 A:HIS501 3.1 12.7 1.0 CB A:HIS103 3.4 11.1 1.0 CZ2 A:TRP139 3.6 12.3 1.0 CE2 A:TRP139 4.0 11.7 1.0 NE2 A:HIS103 4.0 11.9 1.0 ND1 A:HIS141 4.0 13.1 1.0 O A:HOH895 4.1 29.8 1.0 CG A:HIS141 4.1 12.3 1.0 NE1 A:TRP139 4.1 12.1 1.0 CD2 A:HIS103 4.1 11.2 1.0 ND1 A:HIS501 4.2 13.7 1.0 CG A:HIS501 4.3 12.8 1.0 CD2 A:HIS101 4.3 14.3 1.0 CU A:CU602 4.3 14.5 0.8 CH2 A:TRP139 4.4 13.2 1.0 CD2 A:HIS446 4.4 13.1 1.0 NE2 A:HIS446 4.5 13.5 1.0 CA A:HIS103 4.7 11.0 1.0 NE2 A:HIS101 4.7 14.8 1.0 CU A:CU603 4.9 18.7 1.0 CD2 A:TRP139 5.0 11.1 1.0

S.K.Singh, S.A.Roberts, S.F.Mcdevitt, A.Weichsel, G.F.Wildner, G.B.Grass, C.Rensing, W.R.Montfort. Crystal Structures of Multicopper Oxidase Cueo Bound to Copper(I) and Silver(I): Functional Role of A Methionine-Rich Sequence. J. Biol. Chem. V. 286 37849 2011.
ISSN: ESSN 1083-351X
PubMed: 21903583
DOI: 10.1074/JBC.M111.293589