Atomistry » Copper » PDB 1bex-1eqw » 1bug
Atomistry »
  Copper »
    PDB 1bex-1eqw »
      1bug »

Copper in PDB 1bug: Catechol Oxidase From Ipomoea Batatas (Sweet Potatoes)- Inhibitor Complex with Phenylthiourea (Ptu)

Enzymatic activity of Catechol Oxidase From Ipomoea Batatas (Sweet Potatoes)- Inhibitor Complex with Phenylthiourea (Ptu)

All present enzymatic activity of Catechol Oxidase From Ipomoea Batatas (Sweet Potatoes)- Inhibitor Complex with Phenylthiourea (Ptu):
1.10.3.1;

Protein crystallography data

The structure of Catechol Oxidase From Ipomoea Batatas (Sweet Potatoes)- Inhibitor Complex with Phenylthiourea (Ptu), PDB code: 1bug 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 (°) 45.820, 164.750, 52.160, 90.00, 97.50, 90.00
R / Rfree (%) 18.1 / 27.3

Copper Binding Sites:

The binding sites of Copper atom in the Catechol Oxidase From Ipomoea Batatas (Sweet Potatoes)- Inhibitor Complex with Phenylthiourea (Ptu) (pdb code 1bug). 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)- Inhibitor Complex with Phenylthiourea (Ptu), PDB code: 1bug:
Jump to Copper binding site number: 1; 2; 3; 4;

Copper binding site 1 out of 4 in 1bug

Go back to Copper Binding Sites List in 1bug
Copper binding site 1 out of 4 in the Catechol Oxidase From Ipomoea Batatas (Sweet Potatoes)- Inhibitor Complex with Phenylthiourea (Ptu)


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)- Inhibitor Complex with Phenylthiourea (Ptu) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cu500

b:15.7
occ:1.00
 NE2 A:HIS88 2.0 2.1 1.0
NE2 A:HIS118 2.2 18.6 1.0
NE2 A:HIS109 2.2 13.2 1.0
S1 A:URS1002 2.3 14.3 1.0
CD2 A:HIS88 2.9 2.0 1.0
CE1 A:HIS88 3.1 2.0 1.0
CD2 A:HIS109 3.1 10.2 1.0
CD2 A:HIS118 3.1 13.0 1.0
CE1 A:HIS118 3.1 15.2 1.0
C7 A:URS1002 3.2 8.8 1.0
N2 A:URS1002 3.2 6.7 1.0
CE1 A:HIS109 3.3 12.5 1.0
SG A:CYS92 4.0 15.8 1.0
CG A:HIS88 4.1 4.6 1.0
ND1 A:HIS88 4.1 2.0 1.0
ND1 A:HIS118 4.2 9.9 1.0
CG A:HIS118 4.2 6.1 1.0
CU A:CU501 4.2 15.7 1.0
CG A:HIS109 4.3 13.9 1.0
CE1 A:HIS274 4.3 6.0 1.0
CZ A:PHE270 4.4 5.7 1.0
ND1 A:HIS109 4.4 9.4 1.0
CE2 A:PHE270 4.5 6.0 1.0
NE2 A:HIS274 4.6 2.0 1.0
N1 A:URS1002 4.6 11.0 1.0
CD2 A:PHE117 4.7 9.6 1.0
CE2 A:PHE117 4.7 4.7 1.0
CE1 A:PHE114 4.9 7.5 1.0

Copper binding site 2 out of 4 in 1bug

Go back to Copper Binding Sites List in 1bug
Copper binding site 2 out of 4 in the Catechol Oxidase From Ipomoea Batatas (Sweet Potatoes)- Inhibitor Complex with Phenylthiourea (Ptu)


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)- Inhibitor Complex with Phenylthiourea (Ptu) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cu501

b:15.7
occ:1.00
 NE2 A:HIS244 2.0 8.0 1.0
NE2 A:HIS240 2.1 10.2 1.0
NE2 A:HIS274 2.1 2.0 1.0
S1 A:URS1002 2.3 14.3 1.0
N1 A:URS1002 2.6 11.0 1.0
C7 A:URS1002 2.7 8.8 1.0
CE1 A:HIS244 2.8 4.5 1.0
CD2 A:HIS244 3.0 5.8 1.0
CE1 A:HIS240 3.0 10.3 1.0
CE1 A:HIS274 3.1 6.0 1.0
CD2 A:HIS274 3.1 6.4 1.0
CD2 A:HIS240 3.2 2.0 1.0
C3 A:URS1002 3.5 9.3 1.0
CE2 A:PHE270 3.8 6.0 1.0
ND1 A:HIS244 3.9 4.2 1.0
N2 A:URS1002 4.0 6.7 1.0
CG A:HIS244 4.0 6.5 1.0
C4 A:URS1002 4.0 7.2 1.0
ND1 A:HIS240 4.1 8.5 1.0
ND1 A:HIS274 4.2 8.6 1.0
CG A:HIS274 4.2 4.5 1.0
CU A:CU500 4.2 15.7 1.0
CG A:HIS240 4.2 2.8 1.0
CD2 A:PHE270 4.4 7.2 1.0
C2 A:URS1002 4.5 4.2 1.0
CZ A:PHE270 4.7 5.7 1.0
NE2 A:HIS88 4.8 2.1 1.0
ND1 A:HIS273 4.9 4.0 1.0
O A:HIS240 4.9 15.3 1.0
CE1 A:HIS88 5.0 2.0 1.0

Copper binding site 3 out of 4 in 1bug

Go back to Copper Binding Sites List in 1bug
Copper binding site 3 out of 4 in the Catechol Oxidase From Ipomoea Batatas (Sweet Potatoes)- Inhibitor Complex with Phenylthiourea (Ptu)


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)- Inhibitor Complex with Phenylthiourea (Ptu) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cu500

b:13.2
occ:1.00
 NE2 B:HIS118 2.1 16.7 1.0
NE2 B:HIS88 2.2 3.0 1.0
NE2 B:HIS109 2.2 14.9 1.0
S1 B:URS1002 2.2 11.7 1.0
CE1 B:HIS118 3.0 15.0 1.0
CD2 B:HIS88 3.0 4.0 1.0
CD2 B:HIS118 3.0 14.1 1.0
CD2 B:HIS109 3.0 15.2 1.0
C7 B:URS1002 3.3 11.3 1.0
CE1 B:HIS88 3.3 2.0 1.0
CE1 B:HIS109 3.3 13.6 1.0
N2 B:URS1002 3.4 11.1 1.0
SG B:CYS92 3.9 8.6 1.0
ND1 B:HIS118 4.1 12.7 1.0
CG B:HIS118 4.1 10.7 1.0
CU B:CU501 4.2 15.6 1.0
CG B:HIS88 4.2 2.0 1.0
CG B:HIS109 4.2 13.7 1.0
CE1 B:HIS274 4.3 9.6 1.0
ND1 B:HIS88 4.3 2.0 1.0
ND1 B:HIS109 4.3 11.6 1.0
CZ B:PHE270 4.4 2.0 1.0
NE2 B:HIS274 4.5 2.0 1.0
CE2 B:PHE270 4.6 2.0 1.0
N1 B:URS1002 4.7 11.4 1.0
CD2 B:PHE117 4.7 10.0 1.0
CE2 B:PHE117 4.7 2.0 1.0
CE1 B:PHE114 4.8 9.0 1.0

Copper binding site 4 out of 4 in 1bug

Go back to Copper Binding Sites List in 1bug
Copper binding site 4 out of 4 in the Catechol Oxidase From Ipomoea Batatas (Sweet Potatoes)- Inhibitor Complex with Phenylthiourea (Ptu)


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)- Inhibitor Complex with Phenylthiourea (Ptu) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cu501

b:15.6
occ:1.00
 NE2 B:HIS240 2.0 5.8 1.0
NE2 B:HIS244 2.1 2.0 1.0
NE2 B:HIS274 2.1 2.0 1.0
S1 B:URS1002 2.3 11.7 1.0
N1 B:URS1002 2.7 11.4 1.0
C7 B:URS1002 2.8 11.3 1.0
CE1 B:HIS240 2.9 10.9 1.0
CE1 B:HIS244 3.0 2.0 1.0
CD2 B:HIS244 3.0 3.8 1.0
CE1 B:HIS274 3.0 9.6 1.0
CD2 B:HIS240 3.1 2.5 1.0
CD2 B:HIS274 3.2 6.2 1.0
C3 B:URS1002 3.6 7.6 1.0
ND1 B:HIS244 4.0 6.5 1.0
CE2 B:PHE270 4.0 2.0 1.0
N2 B:URS1002 4.0 11.1 1.0
C4 B:URS1002 4.1 7.9 1.0
ND1 B:HIS240 4.1 10.7 1.0
CG B:HIS244 4.1 5.0 1.0
ND1 B:HIS274 4.2 13.1 1.0
CG B:HIS240 4.2 8.2 1.0
CU B:CU500 4.2 13.2 1.0
CG B:HIS274 4.3 4.7 1.0
CD2 B:PHE270 4.6 3.8 1.0
C2 B:URS1002 4.6 9.5 1.0
NE2 B:HIS88 4.8 3.0 1.0
CE1 B:PHE114 4.8 9.0 1.0
CZ B:PHE270 4.8 2.0 1.0
O B:HIS240 4.8 13.4 1.0
ND1 B:HIS273 5.0 3.0 1.0
CE1 B:HIS88 5.0 2.0 1.0

Reference:

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
Page generated: Sun Jul 13 23:33:19 2025

Last articles

Fe in 2YXO
Fe in 2YRS
Fe in 2YXC
Fe in 2YNM
Fe in 2YVJ
Fe in 2YP1
Fe in 2YU2
Fe in 2YU1
Fe in 2YQB
Fe in 2YOO
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy