Copper in PDB 3pav: The Reduced Form of Cueo

The structure of The Reduced Form of Cueo, PDB code: 3pav 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)	33.70 / 1.45
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	50.943, 90.200, 52.115, 90.00, 102.31, 90.00
R / Rfree (%)	17.4 / 20.2

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

Copper binding site 1 out of 4 in the The Reduced Form of Cueo


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 1 of The Reduced Form of Cueo within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu601 b:20.1 occ:1.00 NE2 A:HIS101 1.9 18.3 1.0 NE2 A:HIS446 1.9 19.2 1.0 O A:HOH15 2.7 19.1 1.0 CE1 A:HIS101 2.8 21.0 1.0 CD2 A:HIS446 2.9 17.6 1.0 CD2 A:HIS101 2.9 17.7 1.0 CE1 A:HIS446 3.0 20.2 1.0 CD2 A:HIS448 3.2 18.2 1.0 NE2 A:HIS448 3.2 17.3 1.0 CG A:HIS103 3.6 17.4 1.0 CA A:HIS103 3.6 18.0 1.0 ND1 A:HIS103 3.7 19.4 1.0 CB A:HIS103 3.8 16.6 1.0 CG A:HIS448 3.8 17.9 1.0 CE1 A:HIS448 3.9 19.2 1.0 CU A:CU602 4.0 21.7 1.0 ND1 A:HIS101 4.0 19.8 1.0 CG A:HIS446 4.0 16.8 1.0 ND1 A:HIS446 4.0 18.9 1.0 CG A:HIS101 4.1 19.8 1.0 CD2 A:HIS103 4.1 17.5 1.0 ND1 A:HIS448 4.1 19.7 1.0 CU A:CU603 4.2 18.7 1.0 CE1 A:HIS103 4.2 16.8 1.0 N A:GLY104 4.4 18.6 1.0 NE2 A:HIS103 4.5 16.9 1.0 N A:HIS103 4.5 17.8 1.0 CA A:HIS448 4.5 18.6 1.0 C A:HIS103 4.6 17.9 1.0 CB A:HIS448 4.6 18.6 1.0 O A:HOH6 4.8 18.4 1.0 O A:HOH584 4.8 17.9 1.0 O A:TRP102 4.8 18.6 1.0

Copper binding site 2 out of 4 in the The Reduced Form of Cueo


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 2 of The Reduced Form of Cueo within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu602 b:21.7 occ:1.00 NE2 A:HIS448 1.9 17.3 1.0 NE2 A:HIS499 2.1 17.9 1.0 NE2 A:HIS143 2.1 22.6 1.0 CE1 A:HIS448 2.7 19.2 1.0 CD2 A:HIS499 2.9 18.5 1.0 CE1 A:HIS143 3.0 20.6 1.0 CD2 A:HIS448 3.1 18.2 1.0 CE1 A:HIS499 3.1 21.0 1.0 CD2 A:HIS143 3.1 20.7 1.0 CD2 A:HIS446 3.8 17.6 1.0 ND1 A:HIS448 3.9 19.7 1.0 CU A:CU601 4.0 20.1 1.0 CG A:HIS499 4.0 18.8 1.0 ND1 A:HIS499 4.1 19.1 1.0 ND1 A:HIS143 4.1 21.9 1.0 CG A:HIS448 4.1 17.9 1.0 NE2 A:HIS101 4.1 18.3 1.0 CD2 A:HIS101 4.2 17.7 1.0 CG A:HIS143 4.2 20.9 1.0 CB A:MET497 4.3 19.9 1.0 NE2 A:HIS446 4.4 19.2 1.0 CG A:MET497 4.7 20.1 1.0 CE1 A:HIS101 4.9 21.0 1.0 CG A:HIS101 4.9 19.8 1.0 CU A:CU603 4.9 18.7 1.0 CE1 A:HIS141 5.0 18.3 1.0

Copper binding site 3 out of 4 in the The Reduced Form of Cueo


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 3 of The Reduced Form of Cueo within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu603 b:18.7 occ:1.00 NE2 A:HIS141 2.0 17.2 1.0 ND1 A:HIS103 2.0 19.4 1.0 NE2 A:HIS501 2.1 15.6 1.0 CE1 A:HIS103 2.9 16.8 1.0 CE1 A:HIS141 2.9 18.3 1.0 CD2 A:HIS141 3.0 17.6 1.0 CE1 A:HIS501 3.0 16.7 1.0 CG A:HIS103 3.1 17.4 1.0 CD2 A:HIS501 3.1 17.4 1.0 CB A:HIS103 3.5 16.6 1.0 CZ2 A:TRP139 3.6 16.5 1.0 CE2 A:TRP139 4.0 16.8 1.0 ND1 A:HIS141 4.1 17.1 1.0 CG A:HIS141 4.1 16.4 1.0 NE2 A:HIS103 4.1 16.9 1.0 NE1 A:TRP139 4.1 18.2 1.0 CU A:CU601 4.2 20.1 1.0 CD2 A:HIS101 4.2 17.7 1.0 ND1 A:HIS501 4.2 17.6 1.0 CD2 A:HIS103 4.2 17.5 1.0 CG A:HIS501 4.3 17.6 1.0 CH2 A:TRP139 4.4 17.9 1.0 CD2 A:HIS446 4.4 17.6 1.0 NE2 A:HIS446 4.4 19.2 1.0 NE2 A:HIS101 4.6 18.3 1.0 CA A:HIS103 4.8 18.0 1.0 CU A:CU602 4.9 21.7 1.0 CD2 A:TRP139 5.0 17.1 1.0

Copper binding site 4 out of 4 in the The Reduced Form of Cueo


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 4 of The Reduced Form of Cueo within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu604 b:20.9 occ:1.00 ND1 A:HIS505 2.0 19.3 1.0 ND1 A:HIS443 2.0 21.9 1.0 SG A:CYS500 2.2 20.0 1.0 CE1 A:HIS443 3.0 23.3 1.0 CG A:HIS505 3.0 19.0 1.0 CE1 A:HIS505 3.1 21.9 1.0 CG A:HIS443 3.1 22.1 1.0 CB A:CYS500 3.2 19.1 1.0 SD A:MET510 3.3 22.7 1.0 CB A:HIS505 3.3 22.0 1.0 CB A:HIS443 3.4 21.1 1.0 CA A:HIS443 3.8 21.1 1.0 O A:LEU442 3.9 24.2 1.0 CB A:LEU502 4.1 19.1 1.0 NE2 A:HIS443 4.1 22.7 1.0 NE2 A:HIS505 4.1 22.3 1.0 CE A:MET510 4.1 22.8 1.0 CD2 A:HIS505 4.2 21.3 1.0 CD2 A:HIS443 4.2 23.3 1.0 N A:HIS443 4.5 21.3 1.0 C A:LEU442 4.6 24.0 1.0 CA A:CYS500 4.7 18.9 1.0 CD1 A:LEU502 4.7 20.5 1.0 CG A:MET510 4.8 22.6 1.0 CA A:HIS505 4.9 20.4 1.0 CG A:LEU502 4.9 19.8 1.0 O A:LEU502 4.9 18.3 1.0 C A:HIS443 5.0 20.1 1.0

W.R.Montfort, S.A.Roberts, S.K.Singh. The Reduced Form of Cueo To Be Published.