Copper in PDB 3pau: Cueo in the Resting Oxidized State

The structure of Cueo in the Resting Oxidized State, PDB code: 3pau was solved by S.A.Roberts, S.Singh, W.R.Montfort, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.60 / 2.00
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	69.216, 73.113, 183.784, 90.00, 90.00, 90.00
R / Rfree (%)	21.5 / 26.6

The binding sites of Copper atom in the Cueo in the Resting Oxidized State (pdb code 3pau). 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 in the Resting Oxidized State, PDB code: 3pau:
Jump to Copper binding site number: 1; 2; 3; 4;

Copper binding site 1 out of 4 in the Cueo in the Resting Oxidized State


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 1 of Cueo in the Resting Oxidized State within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu701 b:23.9 occ:1.00 CU2 A:C2O701 0.0 23.9 1.0 O1 A:C2O701 1.9 23.3 1.0 NE2 A:HIS448 2.1 16.4 1.0 NE2 A:HIS499 2.2 16.9 1.0 NE2 A:HIS143 2.4 18.2 1.0 CE1 A:HIS448 2.9 18.1 1.0 CE1 A:HIS499 3.0 17.0 1.0 CD2 A:HIS143 3.1 18.8 1.0 CD2 A:HIS448 3.1 16.3 1.0 CD2 A:HIS499 3.3 17.4 1.0 CU A:CU801 3.5 49.8 1.0 CU3 A:C2O701 3.5 25.0 1.0 CE1 A:HIS143 3.5 19.4 1.0 CD2 A:HIS446 3.7 18.5 1.0 CD2 A:HIS101 3.8 21.3 1.0 NE2 A:HIS101 3.9 23.1 1.0 O A:HOH692 3.9 7.6 0.5 ND1 A:HIS448 4.1 15.6 1.0 ND1 A:HIS499 4.2 16.3 1.0 CG A:HIS448 4.2 16.8 1.0 NE2 A:HIS446 4.2 20.1 1.0 CE1 A:HIS141 4.3 17.2 1.0 CG A:HIS143 4.3 19.8 1.0 CG A:HIS499 4.3 17.1 1.0 NE2 A:HIS141 4.5 18.0 1.0 ND1 A:HIS143 4.5 20.3 1.0 CD2 A:HIS501 4.7 17.3 1.0 CG A:HIS101 4.7 20.3 1.0 CE1 A:HIS101 4.8 22.5 1.0 ND1 A:HIS103 4.8 15.3 1.0 NE2 A:HIS501 4.9 18.2 1.0 CG A:HIS446 4.9 17.5 1.0 OE1 A:GLU506 4.9 21.5 1.0

Copper binding site 2 out of 4 in the Cueo in the Resting Oxidized State


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 2 of Cueo in the Resting Oxidized State within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu701 b:25.0 occ:1.00 CU3 A:C2O701 0.0 25.0 1.0 O1 A:C2O701 1.9 23.3 1.0 ND1 A:HIS103 1.9 15.3 1.0 NE2 A:HIS141 2.2 18.0 1.0 NE2 A:HIS501 2.4 18.2 1.0 CE1 A:HIS103 2.8 13.5 1.0 CD2 A:HIS501 3.0 17.3 1.0 CE1 A:HIS141 3.0 17.2 1.0 CG A:HIS103 3.0 14.7 1.0 CD2 A:HIS141 3.3 15.0 1.0 CU2 A:C2O701 3.5 23.9 1.0 CB A:HIS103 3.5 15.8 1.0 CE1 A:HIS501 3.6 20.1 1.0 CU A:CU801 3.7 49.8 1.0 CD2 A:HIS446 3.9 18.5 1.0 NE2 A:HIS103 4.0 13.7 1.0 CD2 A:HIS101 4.1 21.3 1.0 O A:HOH692 4.1 7.6 0.5 NE2 A:HIS446 4.1 20.1 1.0 CD2 A:HIS103 4.1 14.8 1.0 ND1 A:HIS141 4.2 17.0 1.0 CG A:HIS501 4.3 16.5 1.0 NE2 A:HIS101 4.3 23.1 1.0 CG A:HIS141 4.4 16.1 1.0 CZ2 A:TRP139 4.4 16.2 1.0 ND1 A:HIS501 4.5 20.8 1.0 CE1 A:HIS499 4.7 17.0 1.0 CA A:HIS103 4.7 15.0 1.0 NE2 A:HIS499 4.8 16.9 1.0 CE2 A:TRP139 4.8 16.4 1.0 CG A:HIS446 4.9 17.5 1.0 CH2 A:TRP139 4.9 17.4 1.0

Copper binding site 3 out of 4 in the Cueo in the Resting Oxidized State


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 3 of Cueo in the Resting Oxidized State within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu801 b:49.8 occ:1.00 NE2 A:HIS101 2.1 23.1 1.0 NE2 A:HIS446 2.3 20.1 1.0 O A:HOH691 2.7 2.0 0.5 CE1 A:HIS101 3.0 22.5 1.0 CD2 A:HIS446 3.0 18.5 1.0 CD2 A:HIS448 3.1 16.3 1.0 CD2 A:HIS101 3.2 21.3 1.0 NE2 A:HIS448 3.3 16.4 1.0 CE1 A:HIS446 3.3 20.1 1.0 CU2 A:C2O701 3.5 23.9 1.0 CG A:HIS103 3.5 14.7 1.0 CA A:HIS103 3.5 15.0 1.0 ND1 A:HIS103 3.6 15.3 1.0 CG A:HIS448 3.7 16.8 1.0 CB A:HIS103 3.7 15.8 1.0 CU3 A:C2O701 3.7 25.0 1.0 CE1 A:HIS448 3.9 18.1 1.0 O1 A:C2O701 3.9 23.3 1.0 CD2 A:HIS103 4.0 14.8 1.0 ND1 A:HIS448 4.1 15.6 1.0 CE1 A:HIS103 4.1 13.5 1.0 ND1 A:HIS101 4.1 22.3 1.0 N A:GLY104 4.2 15.1 1.0 CG A:HIS101 4.2 20.3 1.0 CG A:HIS446 4.3 17.5 1.0 ND1 A:HIS446 4.4 20.6 1.0 C A:HIS103 4.4 15.0 1.0 NE2 A:HIS103 4.4 13.7 1.0 CA A:HIS448 4.4 17.0 1.0 O A:HOH641 4.4 10.3 0.5 N A:HIS103 4.5 15.5 1.0 CB A:HIS448 4.5 17.2 1.0 O A:HOH537 4.7 21.4 1.0 O A:TRP102 4.8 14.8 1.0 N A:HIS448 4.9 16.7 1.0 C A:TRP102 5.0 16.0 1.0 NE2 A:HIS499 5.0 16.9 1.0

Copper binding site 4 out of 4 in the Cueo in the Resting Oxidized State


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 4 of Cueo in the Resting Oxidized State within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu802 b:19.0 occ:1.00 ND1 A:HIS443 1.9 17.2 1.0 ND1 A:HIS505 2.0 14.8 1.0 SG A:CYS500 2.2 18.2 1.0 CE1 A:HIS443 2.8 17.2 1.0 CE1 A:HIS505 3.0 17.4 1.0 CG A:HIS443 3.0 17.8 1.0 CG A:HIS505 3.0 18.0 1.0 CB A:CYS500 3.1 17.5 1.0 SD A:MET510 3.3 19.6 1.0 CB A:HIS505 3.4 20.0 1.0 CB A:HIS443 3.5 18.9 1.0 O A:LEU442 3.5 21.1 1.0 CA A:HIS443 3.7 19.0 1.0 CB A:LEU502 4.0 14.7 1.0 NE2 A:HIS443 4.0 17.7 1.0 CD2 A:HIS443 4.1 17.2 1.0 NE2 A:HIS505 4.1 17.4 1.0 CE A:MET510 4.1 22.6 1.0 CD2 A:HIS505 4.2 18.2 1.0 C A:LEU442 4.4 21.6 1.0 N A:HIS443 4.5 20.3 1.0 CA A:CYS500 4.6 17.3 1.0 CG A:MET510 4.7 19.5 1.0 CD1 A:LEU502 4.7 11.8 1.0 O A:LEU502 4.8 15.0 1.0 CG A:LEU502 4.8 13.3 1.0 C A:HIS443 4.8 18.4 1.0 CA A:HIS505 4.9 20.0 1.0 N A:LEU502 5.0 15.1 1.0 CA A:LEU502 5.0 14.8 1.0

S.A.Roberts, S.Singh, W.R.Montfort. Cueo in the Resting Oxidized State To Be Published.