Copper in PDB 1bt2: Catechol Oxidase From Ipomoea Batatas (Sweet Potatoes) in the Reduced Cu(I)-Cu(I) State

All present enzymatic activity of Catechol Oxidase From Ipomoea Batatas (Sweet Potatoes) in the Reduced Cu(I)-Cu(I) State:
1.10.3.1;

The structure of Catechol Oxidase From Ipomoea Batatas (Sweet Potatoes) in the Reduced Cu(I)-Cu(I) State, PDB code: 1bt2 was solved by T.Klabunde, C.Eicken, J.C.Sacchettini, B.Krebs, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	8.00 / 2.70
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	45.250, 162.600, 51.490, 90.00, 95.30, 90.00
R / Rfree (%)	18.4 / 27.8

The binding sites of Copper atom in the Catechol Oxidase From Ipomoea Batatas (Sweet Potatoes) in the Reduced Cu(I)-Cu(I) State (pdb code 1bt2). This binding sites where shown within 5.0 Angstroms radius around Copper atom.
In total 4 binding sites of Copper where determined in the Catechol Oxidase From Ipomoea Batatas (Sweet Potatoes) in the Reduced Cu(I)-Cu(I) State, PDB code: 1bt2:
Jump to Copper binding site number: 1; 2; 3; 4;

Copper binding site 1 out of 4 in the Catechol Oxidase From Ipomoea Batatas (Sweet Potatoes) in the Reduced Cu(I)-Cu(I) State


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 1 of Catechol Oxidase From Ipomoea Batatas (Sweet Potatoes) in the Reduced Cu(I)-Cu(I) State within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu500 b:19.8 occ:1.00 CU2 A:C2O500 0.0 19.8 1.0 NE2 A:HIS88 2.1 9.6 1.0 NE2 A:HIS118 2.1 18.7 1.0 NE2 A:HIS109 2.2 18.5 1.0 O1 A:C2O500 2.2 22.8 1.0 CD2 A:HIS88 2.9 13.7 1.0 CE1 A:HIS118 3.1 21.5 1.0 CE1 A:HIS109 3.1 15.1 1.0 CD2 A:HIS118 3.1 19.2 1.0 CD2 A:HIS109 3.2 18.6 1.0 CE1 A:HIS88 3.2 10.5 1.0 SG A:CYS92 3.5 17.6 1.0 CG A:HIS88 4.1 13.7 1.0 ND1 A:HIS118 4.2 20.2 1.0 ND1 A:HIS109 4.2 17.9 1.0 ND1 A:HIS88 4.2 11.1 1.0 CG A:HIS118 4.2 17.3 1.0 CG A:HIS109 4.3 19.5 1.0 NE2 A:HIS274 4.3 8.9 1.0 CZ A:PHE270 4.3 8.0 1.0 CE1 A:PHE270 4.4 14.6 1.0 CU3 A:C2O500 4.4 18.0 1.0 CE1 A:HIS274 4.5 16.0 1.0 CE2 A:PHE117 4.6 11.4 1.0 CD1 A:PHE261 4.7 11.3 1.0 CE1 A:PHE261 4.7 16.8 1.0 CD2 A:PHE117 4.8 9.6 1.0 CG A:PHE261 4.9 13.7 1.0

Copper binding site 2 out of 4 in the Catechol Oxidase From Ipomoea Batatas (Sweet Potatoes) in the Reduced Cu(I)-Cu(I) State


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 2 of Catechol Oxidase From Ipomoea Batatas (Sweet Potatoes) in the Reduced Cu(I)-Cu(I) State within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu500 b:18.0 occ:1.00 CU3 A:C2O500 0.0 18.0 1.0 NE2 A:HIS274 2.0 8.9 1.0 NE2 A:HIS244 2.0 7.1 1.0 NE2 A:HIS240 2.2 18.4 1.0 O1 A:C2O500 2.7 22.8 1.0 CD2 A:HIS244 2.9 3.9 1.0 CE1 A:HIS240 2.9 18.2 1.0 CE1 A:HIS274 3.0 16.0 1.0 CD2 A:HIS274 3.0 10.7 1.0 CE1 A:HIS244 3.1 5.0 1.0 CD2 A:HIS240 3.1 17.1 1.0 CE1 A:PHE270 3.7 14.6 1.0 ND1 A:HIS240 4.0 19.9 1.0 CG A:HIS244 4.1 2.6 1.0 ND1 A:HIS274 4.1 12.5 1.0 CG A:HIS274 4.1 9.5 1.0 ND1 A:HIS244 4.1 7.8 1.0 CG A:HIS240 4.1 13.9 1.0 CD1 A:PHE270 4.2 16.4 1.0 ND1 A:HIS273 4.2 10.8 1.0 CE1 A:PHE261 4.3 16.8 1.0 CU2 A:C2O500 4.4 19.8 1.0 CE1 A:HIS273 4.5 8.3 1.0 CZ A:PHE270 4.6 8.0 1.0 NE2 A:HIS118 4.8 18.7 1.0 CD1 A:PHE261 4.9 11.3 1.0 NE2 A:HIS88 4.9 9.6 1.0 CD2 A:HIS118 5.0 19.2 1.0

Copper binding site 3 out of 4 in the Catechol Oxidase From Ipomoea Batatas (Sweet Potatoes) in the Reduced Cu(I)-Cu(I) State


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 3 of Catechol Oxidase From Ipomoea Batatas (Sweet Potatoes) in the Reduced Cu(I)-Cu(I) State within 5.0Å range: probe atom residue distance (Å) B Occ B:Cu500 b:19.9 occ:1.00 CU2 B:C2O500 0.0 19.9 1.0 NE2 B:HIS118 2.1 18.3 1.0 NE2 B:HIS88 2.1 11.2 1.0 NE2 B:HIS109 2.2 18.9 1.0 O1 B:C2O500 2.3 25.8 1.0 CD2 B:HIS88 2.9 12.4 1.0 CE1 B:HIS118 3.0 20.4 1.0 CE1 B:HIS109 3.1 16.5 1.0 CD2 B:HIS109 3.1 22.1 1.0 CD2 B:HIS118 3.1 17.4 1.0 CE1 B:HIS88 3.2 11.2 1.0 SG B:CYS92 3.5 13.5 1.0 ND1 B:HIS118 4.1 19.2 1.0 ND1 B:HIS109 4.1 19.3 1.0 CG B:HIS88 4.2 12.7 1.0 CG B:HIS109 4.2 22.6 1.0 CG B:HIS118 4.2 14.8 1.0 ND1 B:HIS88 4.3 13.0 1.0 NE2 B:HIS274 4.4 7.9 1.0 CU3 B:C2O500 4.4 18.4 1.0 CZ B:PHE270 4.5 8.7 1.0 CE1 B:PHE270 4.5 15.9 1.0 CE2 B:PHE117 4.5 6.1 1.0 CE1 B:HIS274 4.5 13.3 1.0 CD2 B:PHE117 4.7 8.0 1.0 CD1 B:PHE261 4.7 12.3 1.0 CE1 B:PHE261 4.8 19.1 1.0 CG B:PHE261 5.0 13.8 1.0 CE1 B:PHE114 5.0 14.3 1.0

Copper binding site 4 out of 4 in the Catechol Oxidase From Ipomoea Batatas (Sweet Potatoes) in the Reduced Cu(I)-Cu(I) State


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 4 of Catechol Oxidase From Ipomoea Batatas (Sweet Potatoes) in the Reduced Cu(I)-Cu(I) State within 5.0Å range: probe atom residue distance (Å) B Occ B:Cu500 b:18.4 occ:1.00 CU3 B:C2O500 0.0 18.4 1.0 NE2 B:HIS244 2.0 6.9 1.0 NE2 B:HIS274 2.1 7.9 1.0 NE2 B:HIS240 2.2 18.0 1.0 O1 B:C2O500 2.6 25.8 1.0 CE1 B:HIS240 2.9 18.5 1.0 CD2 B:HIS244 2.9 2.0 1.0 CD2 B:HIS274 3.1 10.9 1.0 CE1 B:HIS274 3.1 13.3 1.0 CE1 B:HIS244 3.1 7.3 1.0 CD2 B:HIS240 3.2 17.0 1.0 CE1 B:PHE270 3.7 15.9 1.0 ND1 B:HIS240 4.0 18.9 1.0 CG B:HIS244 4.1 2.0 1.0 CG B:HIS240 4.1 15.2 1.0 CE1 B:PHE261 4.1 19.1 1.0 ND1 B:HIS244 4.1 4.7 1.0 CD1 B:PHE270 4.2 15.7 1.0 ND1 B:HIS274 4.2 9.2 1.0 CG B:HIS274 4.2 10.2 1.0 ND1 B:HIS273 4.3 15.8 1.0 CU2 B:C2O500 4.4 19.9 1.0 CE1 B:HIS273 4.6 10.6 1.0 CZ B:PHE270 4.7 8.7 1.0 CD1 B:PHE261 4.7 12.3 1.0 NE2 B:HIS88 4.8 11.2 1.0 NE2 B:HIS118 4.8 18.3 1.0

T.Klabunde, C.Eicken, J.C.Sacchettini, B.Krebs. Crystal Structure of A Plant Catechol Oxidase Containing A Dicopper Center. Nat.Struct.Biol. V. 5 1084 1998.
ISSN: ISSN 1072-8368
PubMed: 9846879
DOI: 10.1038/4193