Copper in PDB 6ttd: Crystal Structure of Mcoa Multicopper Oxidase 2F4 Variant From the Hyperthermophile Aquifex Aeolicus

The structure of Crystal Structure of Mcoa Multicopper Oxidase 2F4 Variant From the Hyperthermophile Aquifex Aeolicus, PDB code: 6ttd was solved by P.T.Borges, V.Brissos, T.N.Cordeiro, L.O.Martins, C.Frazao, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.22 / 1.80
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	63.2, 89.58, 86.85, 90, 106.07, 90
R / Rfree (%)	16 / 16

The binding sites of Copper atom in the Crystal Structure of Mcoa Multicopper Oxidase 2F4 Variant From the Hyperthermophile Aquifex Aeolicus (pdb code 6ttd). This binding sites where shown within 5.0 Angstroms radius around Copper atom.
In total 8 binding sites of Copper where determined in the Crystal Structure of Mcoa Multicopper Oxidase 2F4 Variant From the Hyperthermophile Aquifex Aeolicus, PDB code: 6ttd:
Jump to Copper binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Copper binding site 1 out of 8 in the Crystal Structure of Mcoa Multicopper Oxidase 2F4 Variant From the Hyperthermophile Aquifex Aeolicus


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 1 of Crystal Structure of Mcoa Multicopper Oxidase 2F4 Variant From the Hyperthermophile Aquifex Aeolicus within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu701 b:14.7 occ:1.00 ND1 A:HIS514 2.0 18.9 1.0 ND1 A:HIS451 2.0 14.2 1.0 SG A:CYS509 2.2 13.2 1.0 CE1 A:HIS514 2.9 18.0 1.0 CE1 A:HIS451 3.0 15.6 1.0 CG A:HIS514 3.0 19.2 1.0 CG A:HIS451 3.1 13.0 1.0 CB A:CYS509 3.2 10.3 1.0 SD A:MET519 3.3 15.4 1.0 CB A:HIS514 3.4 12.4 1.0 CB A:HIS451 3.4 10.7 1.0 CD1 A:ILE511 3.9 7.4 1.0 CA A:HIS451 3.9 12.0 1.0 NE2 A:HIS514 4.1 17.5 1.0 CB A:ILE511 4.1 14.6 1.0 NE2 A:HIS451 4.1 16.6 1.0 CE A:MET519 4.1 12.9 1.0 CD2 A:HIS514 4.1 17.6 1.0 CD2 A:HIS451 4.2 13.9 1.0 O A:TYR450 4.2 13.1 1.0 CG1 A:ILE511 4.4 9.9 1.0 CA A:CYS509 4.6 11.3 1.0 CD A:PRO452 4.6 10.9 1.0 CG A:MET519 4.8 17.8 1.0 N A:ILE511 4.8 10.1 1.0 CA A:HIS514 4.9 11.8 1.0 N A:HIS451 4.9 13.2 1.0 C A:HIS451 4.9 13.9 1.0 O A:HOH812 4.9 36.2 1.0 CG2 A:ILE511 5.0 14.7 1.0 CD2 A:PHE407 5.0 16.8 1.0

Copper binding site 2 out of 8 in the Crystal Structure of Mcoa Multicopper Oxidase 2F4 Variant From the Hyperthermophile Aquifex Aeolicus


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 2 of Crystal Structure of Mcoa Multicopper Oxidase 2F4 Variant From the Hyperthermophile Aquifex Aeolicus within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu702 b:15.3 occ:1.00 NE2 A:HIS456 2.0 16.5 1.0 NE2 A:HIS161 2.0 19.7 1.0 NE2 A:HIS508 2.1 12.8 1.0 O1 A:OXY705 2.3 13.4 1.0 O2 A:OXY705 2.6 14.3 1.0 CE1 A:HIS456 2.8 16.9 1.0 CE1 A:HIS161 3.0 20.8 1.0 CD2 A:HIS161 3.0 21.0 1.0 CE1 A:HIS508 3.1 11.5 1.0 CD2 A:HIS508 3.1 13.6 1.0 CD2 A:HIS456 3.1 11.9 1.0 CU A:CU703 3.5 16.8 1.0 CD2 A:HIS454 3.8 9.4 1.0 NE2 A:HIS118 4.0 12.7 1.0 CD2 A:HIS118 4.0 9.7 1.0 ND1 A:HIS456 4.0 15.5 1.0 ND1 A:HIS161 4.1 21.5 1.0 CG A:HIS161 4.1 19.1 1.0 ND1 A:HIS508 4.2 11.5 1.0 NE2 A:HIS454 4.2 13.1 1.0 CG A:HIS456 4.2 15.7 1.0 CG A:HIS508 4.2 12.7 1.0 CD1 A:LEU506 4.3 16.4 1.0 CE1 A:HIS118 4.7 9.8 1.0 CG A:HIS118 4.7 12.4 1.0 CB A:LEU506 4.9 10.9 1.0 CU A:CU704 5.0 14.6 1.0

Copper binding site 3 out of 8 in the Crystal Structure of Mcoa Multicopper Oxidase 2F4 Variant From the Hyperthermophile Aquifex Aeolicus


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 3 of Crystal Structure of Mcoa Multicopper Oxidase 2F4 Variant From the Hyperthermophile Aquifex Aeolicus within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu703 b:16.8 occ:1.00 NE2 A:HIS454 1.9 13.1 1.0 NE2 A:HIS118 2.0 12.7 1.0 O2 A:OXY705 2.4 14.3 1.0 CD2 A:HIS454 2.9 9.4 1.0 CE1 A:HIS118 2.9 9.8 1.0 CE1 A:HIS454 3.0 10.8 1.0 CD2 A:HIS118 3.0 9.7 1.0 O A:HOH1041 3.1 11.8 1.0 NE2 A:HIS456 3.2 16.5 1.0 CD2 A:HIS456 3.3 11.9 1.0 O1 A:OXY705 3.4 13.4 1.0 CG A:HIS120 3.5 14.3 1.0 CU A:CU702 3.5 15.3 1.0 ND1 A:HIS120 3.6 13.9 1.0 CB A:HIS120 3.8 10.7 1.0 CA A:HIS120 3.8 11.3 1.0 CE1 A:HIS456 3.8 16.9 1.0 CG A:HIS456 3.9 15.7 1.0 CD2 A:HIS120 3.9 13.1 1.0 ND1 A:HIS118 4.0 10.2 1.0 CG A:HIS454 4.0 10.2 1.0 ND1 A:HIS454 4.0 12.9 1.0 CG A:HIS118 4.1 12.4 1.0 CE1 A:HIS120 4.1 9.9 1.0 ND1 A:HIS456 4.2 15.5 1.0 CU A:CU704 4.2 14.6 1.0 NE2 A:HIS120 4.3 10.2 1.0 N A:GLY121 4.5 13.4 1.0 C A:HIS120 4.6 13.8 1.0 CA A:HIS456 4.7 13.3 1.0 NE2 A:HIS508 4.8 12.8 1.0 CB A:HIS456 4.8 11.0 1.0 N A:HIS120 4.9 11.7 1.0 O A:ILE455 4.9 15.4 1.0 O A:HOH946 4.9 15.1 1.0 O A:HOH923 5.0 14.7 1.0 NE2 A:HIS161 5.0 19.7 1.0 N A:HIS456 5.0 12.5 1.0

Copper binding site 4 out of 8 in the Crystal Structure of Mcoa Multicopper Oxidase 2F4 Variant From the Hyperthermophile Aquifex Aeolicus


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 4 of Crystal Structure of Mcoa Multicopper Oxidase 2F4 Variant From the Hyperthermophile Aquifex Aeolicus within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu704 b:14.6 occ:1.00 ND1 A:HIS120 2.0 13.9 1.0 NE2 A:HIS159 2.0 14.8 1.0 NE2 A:HIS510 2.2 11.3 1.0 O2 A:OXY705 2.5 14.3 1.0 O1 A:OXY705 2.7 13.4 1.0 CD2 A:HIS159 2.9 11.7 1.0 CE1 A:HIS120 3.0 9.9 1.0 CG A:HIS120 3.1 14.3 1.0 CE1 A:HIS159 3.1 11.2 1.0 CD2 A:HIS510 3.1 11.6 1.0 CE1 A:HIS510 3.2 12.4 1.0 CB A:HIS120 3.4 10.7 1.0 CE2 A:PHE157 4.0 16.3 1.0 CD2 A:PHE157 4.0 12.6 1.0 CG A:HIS159 4.1 9.4 1.0 NE2 A:HIS120 4.1 10.2 1.0 ND1 A:HIS159 4.2 12.4 1.0 CD2 A:HIS120 4.2 13.1 1.0 CU A:CU703 4.2 16.8 1.0 CD2 A:HIS118 4.3 9.7 1.0 CG A:HIS510 4.3 10.8 1.0 ND1 A:HIS510 4.3 10.7 1.0 NE2 A:HIS118 4.7 12.7 1.0 NE2 A:HIS454 4.7 13.1 1.0 CD2 A:HIS454 4.8 9.4 1.0 CA A:HIS120 4.8 11.3 1.0 CG A:PHE157 4.9 10.8 1.0 CZ A:PHE157 4.9 12.7 1.0 CU A:CU702 5.0 15.3 1.0

Copper binding site 5 out of 8 in the Crystal Structure of Mcoa Multicopper Oxidase 2F4 Variant From the Hyperthermophile Aquifex Aeolicus


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 5 of Crystal Structure of Mcoa Multicopper Oxidase 2F4 Variant From the Hyperthermophile Aquifex Aeolicus within 5.0Å range: probe atom residue distance (Å) B Occ B:Cu701 b:21.6 occ:1.00 ND1 B:HIS514 2.0 28.3 1.0 ND1 B:HIS451 2.1 22.1 1.0 SG B:CYS509 2.3 24.4 1.0 CE1 B:HIS514 2.9 25.8 1.0 CE1 B:HIS451 3.0 23.0 1.0 CG B:HIS514 3.0 24.2 1.0 CG B:HIS451 3.1 21.9 1.0 SD B:MET519 3.2 27.5 1.0 CB B:CYS509 3.2 18.6 1.0 CB B:HIS514 3.4 23.1 1.0 CB B:HIS451 3.5 20.3 1.0 CD1 B:ILE511 3.8 17.6 1.0 CA B:HIS451 3.9 22.0 1.0 CE B:MET519 3.9 23.9 1.0 NE2 B:HIS514 4.1 25.4 1.0 O B:TYR450 4.1 22.0 1.0 CB B:ILE511 4.1 20.3 1.0 CD2 B:HIS514 4.1 25.3 1.0 NE2 B:HIS451 4.2 24.9 1.0 CD2 B:HIS451 4.2 21.9 1.0 CG1 B:ILE511 4.3 18.0 1.0 CD B:PRO452 4.6 18.7 1.0 CA B:CYS509 4.6 21.7 1.0 CG B:MET519 4.8 19.8 1.0 N B:HIS451 4.8 19.9 1.0 C B:TYR450 4.9 21.9 1.0 CG2 B:ILE511 4.9 19.4 1.0 N B:ILE511 4.9 19.5 1.0 C B:HIS451 4.9 22.7 1.0 CA B:HIS514 5.0 21.3 1.0 CD2 B:PHE407 5.0 25.8 1.0

Copper binding site 6 out of 8 in the Crystal Structure of Mcoa Multicopper Oxidase 2F4 Variant From the Hyperthermophile Aquifex Aeolicus


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 6 of Crystal Structure of Mcoa Multicopper Oxidase 2F4 Variant From the Hyperthermophile Aquifex Aeolicus within 5.0Å range: probe atom residue distance (Å) B Occ B:Cu702 b:21.2 occ:1.00 O1 B:OXY705 1.7 14.0 1.0 NE2 B:HIS456 1.9 23.4 1.0 NE2 B:HIS161 2.1 24.9 1.0 NE2 B:HIS508 2.1 20.6 1.0 CE1 B:HIS456 2.8 25.2 1.0 O2 B:OXY705 2.8 11.4 1.0 CD2 B:HIS456 3.0 22.2 1.0 CE1 B:HIS508 3.0 20.7 1.0 CE1 B:HIS161 3.0 25.1 1.0 CD2 B:HIS508 3.1 18.9 1.0 CD2 B:HIS161 3.1 21.3 1.0 CU B:CU703 3.5 22.4 1.0 CD2 B:HIS454 3.8 15.0 1.0 CD2 B:HIS118 3.9 18.6 1.0 NE2 B:HIS118 3.9 23.1 1.0 ND1 B:HIS456 3.9 21.2 1.0 CG B:HIS456 4.1 20.6 1.0 ND1 B:HIS508 4.1 20.2 1.0 ND1 B:HIS161 4.2 22.7 1.0 NE2 B:HIS454 4.2 21.1 1.0 CG B:HIS508 4.2 20.2 1.0 CG B:HIS161 4.3 22.3 1.0 CD1 B:LEU506 4.3 20.3 1.0 CB B:LEU506 4.8 21.7 1.0 CE1 B:HIS118 4.8 19.3 1.0 CG B:HIS118 4.8 20.2 1.0

Copper binding site 7 out of 8 in the Crystal Structure of Mcoa Multicopper Oxidase 2F4 Variant From the Hyperthermophile Aquifex Aeolicus


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 7 of Crystal Structure of Mcoa Multicopper Oxidase 2F4 Variant From the Hyperthermophile Aquifex Aeolicus within 5.0Å range: probe atom residue distance (Å) B Occ B:Cu703 b:22.4 occ:1.00 NE2 B:HIS454 2.0 21.1 1.0 NE2 B:HIS118 2.0 23.1 1.0 CD2 B:HIS454 2.9 15.0 1.0 CD2 B:HIS118 2.9 18.6 1.0 CE1 B:HIS454 3.0 16.4 1.0 O2 B:OXY705 3.0 11.4 1.0 CE1 B:HIS118 3.1 19.3 1.0 O B:HOH939 3.1 23.8 1.0 O1 B:OXY705 3.2 14.0 1.0 NE2 B:HIS456 3.2 23.4 1.0 CD2 B:HIS456 3.3 22.2 1.0 ND1 B:HIS120 3.4 21.1 1.0 CG B:HIS120 3.5 18.6 1.0 CU B:CU702 3.5 21.2 1.0 CA B:HIS120 3.8 18.0 1.0 CB B:HIS120 3.8 17.5 1.0 CE1 B:HIS456 3.8 25.2 1.0 CG B:HIS456 3.9 20.6 1.0 CE1 B:HIS120 4.0 19.8 1.0 CG B:HIS454 4.0 19.3 1.0 ND1 B:HIS454 4.0 19.1 1.0 CG B:HIS118 4.1 20.2 1.0 CD2 B:HIS120 4.1 17.9 1.0 ND1 B:HIS118 4.1 20.5 1.0 CU B:CU704 4.2 20.1 1.0 ND1 B:HIS456 4.2 21.2 1.0 NE2 B:HIS120 4.3 18.9 1.0 N B:GLY121 4.4 18.2 1.0 C B:HIS120 4.6 21.1 1.0 CA B:HIS456 4.8 22.4 1.0 N B:HIS120 4.8 15.5 1.0 NE2 B:HIS508 4.8 20.6 1.0 CB B:HIS456 4.9 18.4 1.0 O B:HOH904 4.9 23.1 1.0 O B:ILE455 5.0 21.6 1.0

Copper binding site 8 out of 8 in the Crystal Structure of Mcoa Multicopper Oxidase 2F4 Variant From the Hyperthermophile Aquifex Aeolicus


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 8 of Crystal Structure of Mcoa Multicopper Oxidase 2F4 Variant From the Hyperthermophile Aquifex Aeolicus within 5.0Å range: probe atom residue distance (Å) B Occ B:Cu704 b:20.1 occ:1.00 NE2 B:HIS159 2.1 21.8 1.0 ND1 B:HIS120 2.1 21.1 1.0 NE2 B:HIS510 2.2 19.6 1.0 O2 B:OXY705 2.2 11.4 1.0 CD2 B:HIS159 3.0 19.0 1.0 CE1 B:HIS120 3.0 19.8 1.0 CD2 B:HIS510 3.1 18.6 1.0 CE1 B:HIS159 3.1 19.6 1.0 CG B:HIS120 3.1 18.6 1.0 CE1 B:HIS510 3.2 16.8 1.0 O1 B:OXY705 3.4 14.0 1.0 CB B:HIS120 3.5 17.5 1.0 CD2 B:PHE157 4.0 23.0 1.0 CE2 B:PHE157 4.0 23.4 1.0 CU B:CU703 4.2 22.4 1.0 NE2 B:HIS120 4.2 18.9 1.0 CG B:HIS159 4.2 19.3 1.0 ND1 B:HIS159 4.2 17.6 1.0 CD2 B:HIS120 4.2 17.9 1.0 CG B:HIS510 4.3 18.7 1.0 ND1 B:HIS510 4.3 18.9 1.0 CD2 B:HIS118 4.4 18.6 1.0 NE2 B:HIS454 4.8 21.1 1.0 CD2 B:HIS454 4.8 15.0 1.0 CA B:HIS120 4.8 18.0 1.0 NE2 B:HIS118 4.9 23.1 1.0 CG B:PHE157 4.9 21.5 1.0 CZ B:PHE157 5.0 22.6 1.0

P.T.Borges, V.Brissos, T.N.Cordeiro, L.O.Martins, C.Frazao. Crystal Structure of Mcoa Multicopper Oxidase 2F4 Variant From the Hyperthermophile Aquifex Aeolicus To Be Published.