Copper in PDB 4hal: Multicopper Oxidase Cueo Mutant E506I

The structure of Multicopper Oxidase Cueo Mutant E506I, PDB code: 4hal was solved by H.Komori, K.Kataoka, T.Sakurai, Y.Higuchi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.24 / 1.40
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	50.481, 90.907, 53.348, 90.00, 102.72, 90.00
R / Rfree (%)	16.1 / 18.3

The binding sites of Copper atom in the Multicopper Oxidase Cueo Mutant E506I (pdb code 4hal). This binding sites where shown within 5.0 Angstroms radius around Copper atom.
In total 4 binding sites of Copper where determined in the Multicopper Oxidase Cueo Mutant E506I, PDB code: 4hal:
Jump to Copper binding site number: 1; 2; 3; 4;

Copper binding site 1 out of 4 in the Multicopper Oxidase Cueo Mutant E506I


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 1 of Multicopper Oxidase Cueo Mutant E506I within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu1001 b:12.3 occ:1.00 ND1 A:HIS505 2.0 10.3 1.0 ND1 A:HIS443 2.0 10.7 1.0 SG A:CYS500 2.2 12.6 1.0 CE1 A:HIS505 3.0 11.3 1.0 CE1 A:HIS443 3.0 11.2 1.0 CG A:HIS505 3.1 10.1 1.0 CG A:HIS443 3.1 11.9 1.0 CB A:CYS500 3.1 11.7 1.0 SD A:MET510 3.3 13.5 1.0 CB A:HIS505 3.4 9.8 1.0 CB A:HIS443 3.5 11.7 1.0 CA A:HIS443 3.7 11.3 1.0 O A:LEU442 3.7 13.5 1.0 CE A:MET510 4.0 13.8 1.0 CB A:LEU502 4.1 8.8 1.0 NE2 A:HIS505 4.1 11.4 1.0 NE2 A:HIS443 4.1 12.4 1.0 CD2 A:HIS505 4.2 10.5 1.0 CD2 A:HIS443 4.2 12.4 1.0 C A:LEU442 4.4 11.9 1.0 N A:HIS443 4.5 10.8 1.0 CA A:CYS500 4.6 11.0 1.0 CD1 A:LEU502 4.7 11.1 1.0 CG A:MET510 4.8 13.4 1.0 CG A:LEU502 4.9 9.0 1.0 C A:HIS443 4.9 10.6 1.0 CA A:HIS505 4.9 9.8 1.0 O A:LEU502 5.0 9.4 1.0 N A:LEU502 5.0 8.8 1.0

Copper binding site 2 out of 4 in the Multicopper Oxidase Cueo Mutant E506I


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 2 of Multicopper Oxidase Cueo Mutant E506I within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu1002 b:13.5 occ:0.80 ND1 A:HIS103 2.0 10.0 1.0 NE2 A:HIS141 2.1 12.8 1.0 NE2 A:HIS501 2.1 10.8 1.0 O A:OH1005 2.6 16.3 0.8 CE1 A:HIS103 2.9 10.6 1.0 CG A:HIS103 3.0 10.2 1.0 CE1 A:HIS141 3.0 12.0 1.0 CE1 A:HIS501 3.1 11.6 1.0 CD2 A:HIS141 3.1 11.4 1.0 CD2 A:HIS501 3.1 10.7 1.0 CB A:HIS103 3.4 10.3 1.0 CZ2 A:TRP139 3.8 9.6 1.0 NE2 A:HIS103 4.1 10.2 1.0 CE2 A:TRP139 4.1 9.2 1.0 CU A:CU1004 4.1 17.0 0.6 CD2 A:HIS103 4.1 10.6 1.0 ND1 A:HIS141 4.1 11.4 1.0 ND1 A:HIS501 4.2 11.0 1.0 NE1 A:TRP139 4.2 9.9 1.0 CG A:HIS141 4.2 9.2 1.0 CG A:HIS501 4.2 10.6 1.0 CD2 A:HIS101 4.3 15.9 1.0 CD2 A:HIS446 4.4 11.4 1.0 NE2 A:HIS446 4.5 12.4 1.0 CH2 A:TRP139 4.6 10.9 1.0 CU A:CU1003 4.6 14.6 0.8 CA A:HIS103 4.6 10.6 1.0 NE2 A:HIS101 4.7 17.6 1.0

Copper binding site 3 out of 4 in the Multicopper Oxidase Cueo Mutant E506I


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 3 of Multicopper Oxidase Cueo Mutant E506I within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu1003 b:14.6 occ:0.80 NE2 A:HIS448 2.0 14.4 1.0 NE2 A:HIS499 2.0 11.8 1.0 O A:OH1005 2.1 16.3 0.8 NE2 A:HIS143 2.1 14.3 1.0 CE1 A:HIS448 2.9 16.7 1.0 CE1 A:HIS499 2.9 11.7 1.0 CD2 A:HIS143 3.0 12.4 1.0 CD2 A:HIS448 3.0 14.8 1.0 CD2 A:HIS499 3.1 11.5 1.0 CE1 A:HIS143 3.1 14.2 1.0 CU A:CU1004 3.6 17.0 0.6 CD2 A:HIS446 3.7 11.4 1.0 NE2 A:HIS101 3.9 17.6 1.0 CD2 A:HIS101 3.9 15.9 1.0 ND1 A:HIS448 4.1 16.4 1.0 ND1 A:HIS499 4.1 10.8 1.0 CG A:HIS448 4.1 14.8 1.0 CG A:HIS499 4.1 10.9 1.0 CG A:HIS143 4.2 12.2 1.0 ND1 A:HIS143 4.2 13.1 1.0 NE2 A:HIS446 4.2 12.4 1.0 CU A:CU1002 4.6 13.5 0.8 CE1 A:HIS101 4.6 17.5 1.0 CG A:HIS101 4.7 13.8 1.0 CB A:MET497 4.8 14.7 1.0 CE1 A:HIS141 4.8 12.0 1.0 CG A:HIS446 5.0 10.6 1.0

Copper binding site 4 out of 4 in the Multicopper Oxidase Cueo Mutant E506I


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 4 of Multicopper Oxidase Cueo Mutant E506I within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu1004 b:17.0 occ:0.60 NE2 A:HIS446 1.9 12.4 1.0 NE2 A:HIS101 2.0 17.6 1.0 OXT A:ACT1006 2.2 32.2 0.5 O A:HOH1102 2.5 17.3 0.5 CD2 A:HIS446 2.9 11.4 1.0 CE1 A:HIS446 3.0 11.7 1.0 CE1 A:HIS101 3.0 17.5 1.0 CD2 A:HIS101 3.0 15.9 1.0 CD2 A:HIS448 3.3 14.8 1.0 C A:ACT1006 3.4 32.3 0.5 NE2 A:HIS448 3.4 14.4 1.0 O A:OH1005 3.4 16.3 0.8 CA A:HIS103 3.5 10.6 1.0 CG A:HIS103 3.6 10.2 1.0 CU A:CU1003 3.6 14.6 0.8 ND1 A:HIS103 3.7 10.0 1.0 CB A:HIS103 3.7 10.3 1.0 CG A:HIS448 3.9 14.8 1.0 O A:ACT1006 4.0 32.2 0.5 CG A:HIS446 4.0 10.6 1.0 ND1 A:HIS446 4.0 11.1 1.0 ND1 A:HIS101 4.1 16.8 1.0 CU A:CU1002 4.1 13.5 0.8 CE1 A:HIS448 4.1 16.7 1.0 CG A:HIS101 4.1 13.8 1.0 CD2 A:HIS103 4.2 10.6 1.0 N A:GLY104 4.2 12.0 1.0 CE1 A:HIS103 4.3 10.6 1.0 ND1 A:HIS448 4.4 16.4 1.0 N A:HIS103 4.4 10.2 1.0 C A:HIS103 4.4 10.5 1.0 CH3 A:ACT1006 4.5 32.3 0.5 NE2 A:HIS103 4.5 10.2 1.0 CA A:HIS448 4.6 13.8 1.0 O A:HOH1104 4.7 10.2 0.5 CB A:HIS448 4.8 14.3 1.0 O A:TRP102 4.8 11.6 1.0 NE2 A:HIS499 4.9 11.8 1.0 O A:HOH1103 4.9 16.5 0.5 C A:TRP102 4.9 10.8 1.0 N A:HIS448 5.0 13.3 1.0

H.Komori, K.Kataoka, T.Sakurai, Y.Higuchi. Multicopper Oxidase Cueo Mutant E506I To Be Published.