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Copper in PDB 1aoz: Refined Crystal Structure of Ascorbate Oxidase at 1.9 Angstroms Resolution

Enzymatic activity of Refined Crystal Structure of Ascorbate Oxidase at 1.9 Angstroms Resolution

All present enzymatic activity of Refined Crystal Structure of Ascorbate Oxidase at 1.9 Angstroms Resolution:
1.10.3.3;

Protein crystallography data

The structure of Refined Crystal Structure of Ascorbate Oxidase at 1.9 Angstroms Resolution, PDB code: 1aoz was solved by A.Messerschmidt, R.Ladenstein, R.Huber, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) N/A / 1.90
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 106.700, 105.100, 113.500, 90.00, 90.00, 90.00
R / Rfree (%) n/a / n/a

Copper Binding Sites:

The binding sites of Copper atom in the Refined Crystal Structure of Ascorbate Oxidase at 1.9 Angstroms Resolution (pdb code 1aoz). This binding sites where shown within 5.0 Angstroms radius around Copper atom.
In total 9 binding sites of Copper where determined in the Refined Crystal Structure of Ascorbate Oxidase at 1.9 Angstroms Resolution, PDB code: 1aoz:
Jump to Copper binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9;

Copper binding site 1 out of 9 in 1aoz

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Copper binding site 1 out of 9 in the Refined Crystal Structure of Ascorbate Oxidase at 1.9 Angstroms Resolution


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 1 of Refined Crystal Structure of Ascorbate Oxidase at 1.9 Angstroms Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cu701

b:19.7
occ:1.00
 ND1 A:HIS512 2.1 4.1 1.0
ND1 A:HIS445 2.1 10.4 1.0
SG A:CYS507 2.1 9.3 1.0
SD A:MET517 2.9 12.6 1.0
CE1 A:HIS445 3.0 17.9 1.0
CG A:HIS512 3.0 4.1 1.0
CE1 A:HIS512 3.0 4.2 1.0
CG A:HIS445 3.1 12.6 1.0
CB A:CYS507 3.3 5.7 1.0
CB A:HIS512 3.4 4.5 1.0
CB A:HIS445 3.5 10.8 1.0
CE A:MET517 3.5 5.3 1.0
NE2 A:HIS445 4.1 13.4 1.0
CA A:HIS445 4.1 10.9 1.0
NE2 A:HIS512 4.2 8.5 1.0
CB A:ILE509 4.2 5.4 1.0
CD2 A:HIS445 4.2 21.4 1.0
CD2 A:HIS512 4.2 5.7 1.0
CG A:MET517 4.4 9.0 1.0
CD1 A:ILE509 4.4 12.0 1.0
CG1 A:ILE509 4.6 4.0 1.0
CA A:CYS507 4.7 9.7 1.0
O A:HOH893 4.8 9.2 1.0
CG2 A:ILE509 4.8 4.0 1.0
O A:THR444 4.9 24.1 1.0
CA A:HIS512 4.9 12.0 1.0
N A:ILE509 4.9 7.8 1.0
CB A:MET517 4.9 4.0 1.0

Copper binding site 2 out of 9 in 1aoz

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Copper binding site 2 out of 9 in the Refined Crystal Structure of Ascorbate Oxidase at 1.9 Angstroms Resolution


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 2 of Refined Crystal Structure of Ascorbate Oxidase at 1.9 Angstroms Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cu812

b:62.8
occ:1.00
 NE2 B:HIS286 2.0 56.2 1.0
NE2 A:HIS286 2.1 45.0 1.0
CE1 B:HIS286 2.9 57.1 1.0
CE1 A:HIS286 2.9 44.4 1.0
CD2 A:HIS286 3.0 35.3 1.0
CD2 B:HIS286 3.0 51.1 1.0
O A:HOH1139 3.1 33.2 1.0
O A:HOH873 4.0 47.1 1.0
ND1 A:HIS286 4.0 40.4 1.0
CG A:HIS286 4.0 30.2 1.0
ND1 B:HIS286 4.0 53.2 1.0
CG B:HIS286 4.0 47.7 1.0
O A:PRO287 4.3 21.4 1.0
O B:PRO287 4.3 21.6 1.0
CD A:PRO287 4.7 21.9 1.0
O B:HOH789 4.8 52.1 1.0

Copper binding site 3 out of 9 in 1aoz

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Copper binding site 3 out of 9 in the Refined Crystal Structure of Ascorbate Oxidase at 1.9 Angstroms Resolution


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 3 of Refined Crystal Structure of Ascorbate Oxidase at 1.9 Angstroms Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cu702

b:25.7
occ:1.00
 CU2 A:C2O702 0.0 25.7 1.0
O1 A:C2O702 2.0 16.1 1.0
NE2 A:HIS450 2.1 17.1 1.0
NE2 A:HIS506 2.1 22.3 1.0
NE2 A:HIS106 2.2 14.9 1.0
CE1 A:HIS450 2.9 14.1 1.0
CE1 A:HIS506 2.9 22.6 1.0
CD2 A:HIS506 3.0 14.2 1.0
CD2 A:HIS450 3.1 17.6 1.0
CE1 A:HIS106 3.1 21.6 1.0
CD2 A:HIS106 3.1 23.3 1.0
CD2 A:HIS448 3.6 10.7 1.0
CU3 A:C2O702 3.7 26.6 1.0
CU4 A:C1O703 3.8 28.3 1.0
O A:HOH953 3.9 21.2 1.0
ND1 A:HIS506 4.1 24.1 1.0
ND1 A:HIS450 4.1 11.5 1.0
NE2 A:HIS448 4.1 16.9 1.0
CG A:HIS506 4.1 15.6 1.0
CG A:HIS450 4.1 4.0 1.0
ND1 A:HIS106 4.2 23.8 1.0
CG A:HIS106 4.3 18.8 1.0
CE1 A:HIS104 4.3 14.4 1.0
NE2 A:HIS60 4.3 14.7 1.0
CD2 A:HIS60 4.3 11.3 1.0
NE2 A:HIS104 4.6 10.9 1.0
NE2 A:HIS508 4.7 15.2 1.0
CD2 A:HIS508 4.7 18.0 1.0
CE1 A:HIS60 4.8 5.4 1.0
CG A:HIS448 4.8 11.2 1.0
CG A:HIS60 4.9 10.5 1.0

Copper binding site 4 out of 9 in 1aoz

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Copper binding site 4 out of 9 in the Refined Crystal Structure of Ascorbate Oxidase at 1.9 Angstroms Resolution


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 4 of Refined Crystal Structure of Ascorbate Oxidase at 1.9 Angstroms Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cu702

b:26.6
occ:1.00
 CU3 A:C2O702 0.0 26.6 1.0
ND1 A:HIS62 2.0 16.9 1.0
O1 A:C2O702 2.1 16.1 1.0
NE2 A:HIS508 2.1 15.2 1.0
NE2 A:HIS104 2.2 10.9 1.0
CE1 A:HIS62 2.8 8.4 1.0
CG A:HIS62 3.0 13.7 1.0
CE1 A:HIS104 3.1 14.4 1.0
CE1 A:HIS508 3.1 16.3 1.0
CD2 A:HIS508 3.1 18.0 1.0
CD2 A:HIS104 3.2 11.2 1.0
CD2 A:HIS448 3.7 10.7 1.0
CU4 A:C1O703 3.7 28.3 1.0
CB A:HIS62 3.7 14.3 1.0
CU2 A:C2O702 3.7 25.7 1.0
NE2 A:HIS448 3.8 16.9 1.0
NE2 A:HIS62 3.9 11.9 1.0
CD2 A:HIS62 4.0 17.2 1.0
CD2 A:HIS60 4.1 11.3 1.0
ND1 A:HIS508 4.2 15.5 1.0
ND1 A:HIS104 4.2 4.6 1.0
CG A:HIS508 4.2 4.8 1.0
CG A:HIS104 4.3 13.4 1.0
O A:HOH953 4.4 21.2 1.0
CG A:HIS448 4.4 11.2 1.0
NE2 A:HIS60 4.4 14.7 1.0
CE1 A:HIS448 4.6 10.7 1.0
CA A:HIS62 4.7 9.5 1.0
CE2 A:PHE102 4.8 15.0 1.0
CE1 A:HIS506 4.9 22.6 1.0
NE2 A:HIS506 4.9 22.3 1.0
NE2 A:HIS106 4.9 14.9 1.0
ND1 A:HIS448 4.9 10.3 1.0
CZ A:PHE102 5.0 8.0 1.0

Copper binding site 5 out of 9 in 1aoz

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Copper binding site 5 out of 9 in the Refined Crystal Structure of Ascorbate Oxidase at 1.9 Angstroms Resolution


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 5 of Refined Crystal Structure of Ascorbate Oxidase at 1.9 Angstroms Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cu703

b:28.3
occ:1.00
 CU4 A:C1O703 0.0 28.3 1.0
NE2 A:HIS60 2.0 14.7 1.0
O3 A:C1O703 2.0 13.0 1.0
NE2 A:HIS448 2.1 16.9 1.0
CE1 A:HIS60 2.9 5.4 1.0
CD2 A:HIS60 2.9 11.3 1.0
CE1 A:HIS448 3.0 10.7 1.0
CD2 A:HIS448 3.0 10.7 1.0
CD2 A:HIS450 3.4 17.6 1.0
NE2 A:HIS450 3.5 17.1 1.0
CA A:HIS62 3.6 9.5 1.0
CG A:HIS62 3.6 13.7 1.0
CU3 A:C2O702 3.7 26.6 1.0
CU2 A:C2O702 3.8 25.7 1.0
ND1 A:HIS62 3.9 16.9 1.0
CG A:HIS450 3.9 4.0 1.0
CB A:HIS62 3.9 14.3 1.0
CE1 A:HIS450 3.9 14.1 1.0
ND1 A:HIS60 3.9 13.5 1.0
CG A:HIS60 4.0 10.5 1.0
O1 A:C2O702 4.1 16.1 1.0
ND1 A:HIS448 4.1 10.3 1.0
CD2 A:HIS62 4.1 17.2 1.0
CG A:HIS448 4.1 11.2 1.0
N A:GLY63 4.1 14.1 1.0
ND1 A:HIS450 4.1 11.5 1.0
O A:HOH1026 4.4 16.4 1.0
CE1 A:HIS62 4.4 8.4 1.0
C A:HIS62 4.4 10.1 1.0
NE2 A:HIS62 4.5 11.9 1.0
N A:HIS62 4.5 19.4 1.0
O A:TRP61 4.5 18.2 1.0
CA A:HIS450 4.6 7.3 1.0
CB A:HIS450 4.7 11.7 1.0
O A:HOH894 4.7 21.8 1.0
NE2 A:HIS104 4.7 10.9 1.0
C A:TRP61 4.9 18.5 1.0
O A:LEU449 5.0 17.8 1.0

Copper binding site 6 out of 9 in 1aoz

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Copper binding site 6 out of 9 in the Refined Crystal Structure of Ascorbate Oxidase at 1.9 Angstroms Resolution


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 6 of Refined Crystal Structure of Ascorbate Oxidase at 1.9 Angstroms Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cu701

b:22.8
occ:1.00
 SG B:CYS507 2.0 19.0 1.0
ND1 B:HIS512 2.1 16.1 1.0
ND1 B:HIS445 2.1 19.1 1.0
SD B:MET517 2.8 19.9 1.0
CE1 B:HIS445 3.0 20.6 1.0
CE1 B:HIS512 3.1 15.4 1.0
CG B:HIS512 3.1 15.2 1.0
CG B:HIS445 3.1 20.9 1.0
CB B:CYS507 3.3 5.0 1.0
CB B:HIS512 3.4 22.3 1.0
CB B:HIS445 3.6 14.9 1.0
CE B:MET517 3.6 18.7 1.0
NE2 B:HIS445 4.2 8.9 1.0
CA B:HIS445 4.2 15.2 1.0
NE2 B:HIS512 4.2 23.7 1.0
CD2 B:HIS512 4.3 23.5 1.0
CD2 B:HIS445 4.3 20.4 1.0
CB B:ILE509 4.3 20.5 1.0
CD1 B:ILE509 4.3 4.1 1.0
CG B:MET517 4.4 5.9 1.0
O B:HOH810 4.5 30.0 1.0
CG1 B:ILE509 4.5 8.7 1.0
CA B:CYS507 4.6 17.0 1.0
O B:THR444 4.9 22.1 1.0
CB B:MET517 5.0 19.7 1.0
CA B:HIS512 5.0 19.5 1.0

Copper binding site 7 out of 9 in 1aoz

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Copper binding site 7 out of 9 in the Refined Crystal Structure of Ascorbate Oxidase at 1.9 Angstroms Resolution


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 7 of Refined Crystal Structure of Ascorbate Oxidase at 1.9 Angstroms Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cu702

b:32.4
occ:1.00
 CU2 B:C2O702 0.0 32.4 1.0
O1 B:C2O702 2.0 27.1 1.0
NE2 B:HIS450 2.1 23.8 1.0
NE2 B:HIS506 2.1 18.5 1.0
NE2 B:HIS106 2.2 28.1 1.0
CE1 B:HIS450 2.9 24.7 1.0
CE1 B:HIS506 3.0 22.4 1.0
CD2 B:HIS506 3.0 19.4 1.0
CD2 B:HIS106 3.1 14.0 1.0
CD2 B:HIS450 3.1 20.9 1.0
CE1 B:HIS106 3.1 25.3 1.0
CD2 B:HIS448 3.6 11.7 1.0
O B:HOH870 3.7 23.2 1.0
CU3 B:C2O702 3.7 28.9 1.0
CU4 B:C1O703 3.9 33.1 1.0
ND1 B:HIS450 4.0 19.7 1.0
ND1 B:HIS506 4.1 21.8 1.0
CG B:HIS506 4.1 15.7 1.0
CG B:HIS450 4.1 11.9 1.0
NE2 B:HIS448 4.2 21.8 1.0
ND1 B:HIS106 4.2 24.3 1.0
CG B:HIS106 4.2 23.0 1.0
CD2 B:HIS60 4.4 7.5 1.0
NE2 B:HIS60 4.4 18.2 1.0
CE1 B:HIS104 4.4 21.5 1.0
CD2 B:HIS508 4.7 5.2 1.0
NE2 B:HIS104 4.7 11.7 1.0
NE2 B:HIS508 4.7 13.8 1.0
CG B:HIS448 4.8 19.1 1.0
CG B:HIS60 5.0 11.2 1.0
CE1 B:HIS60 5.0 20.5 1.0

Copper binding site 8 out of 9 in 1aoz

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Copper binding site 8 out of 9 in the Refined Crystal Structure of Ascorbate Oxidase at 1.9 Angstroms Resolution


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 8 of Refined Crystal Structure of Ascorbate Oxidase at 1.9 Angstroms Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cu702

b:28.9
occ:1.00
 CU3 B:C2O702 0.0 28.9 1.0
O1 B:C2O702 2.0 27.1 1.0
NE2 B:HIS508 2.1 13.8 1.0
ND1 B:HIS62 2.1 20.6 1.0
NE2 B:HIS104 2.1 11.7 1.0
CE1 B:HIS62 3.0 24.7 1.0
CD2 B:HIS508 3.0 5.2 1.0
CE1 B:HIS104 3.0 21.5 1.0
CE1 B:HIS508 3.0 4.0 1.0
CD2 B:HIS104 3.1 4.1 1.0
CG B:HIS62 3.2 21.1 1.0
CU4 B:C1O703 3.7 33.1 1.0
CU2 B:C2O702 3.7 32.4 1.0
CD2 B:HIS448 3.8 11.7 1.0
CB B:HIS62 3.8 22.9 1.0
NE2 B:HIS448 4.0 21.8 1.0
O B:HOH870 4.1 23.2 1.0
ND1 B:HIS508 4.1 12.2 1.0
ND1 B:HIS104 4.1 9.7 1.0
CG B:HIS508 4.1 7.5 1.0
NE2 B:HIS62 4.1 14.0 1.0
CG B:HIS104 4.2 15.4 1.0
CD2 B:HIS60 4.3 7.5 1.0
CD2 B:HIS62 4.3 22.7 1.0
CG B:HIS448 4.5 19.1 1.0
NE2 B:HIS60 4.5 18.2 1.0
CE1 B:HIS448 4.7 16.7 1.0
CE2 B:PHE102 4.7 13.8 1.0
CE1 B:HIS506 4.8 22.4 1.0
NE2 B:HIS506 4.8 18.5 1.0
NE2 B:HIS106 4.8 28.1 1.0
CD2 B:HIS106 4.9 14.0 1.0
CA B:HIS62 4.9 19.8 1.0
ND1 B:HIS448 4.9 26.4 1.0

Copper binding site 9 out of 9 in 1aoz

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Copper binding site 9 out of 9 in the Refined Crystal Structure of Ascorbate Oxidase at 1.9 Angstroms Resolution


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 9 of Refined Crystal Structure of Ascorbate Oxidase at 1.9 Angstroms Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cu703

b:33.1
occ:1.00
 CU4 B:C1O703 0.0 33.1 1.0
NE2 B:HIS60 2.0 18.2 1.0
O3 B:C1O703 2.0 25.0 1.0
NE2 B:HIS448 2.1 21.8 1.0
CE1 B:HIS60 2.9 20.5 1.0
CD2 B:HIS60 2.9 7.5 1.0
CE1 B:HIS448 3.0 16.7 1.0
CD2 B:HIS448 3.0 11.7 1.0
CA B:HIS62 3.6 19.8 1.0
ND1 B:HIS62 3.6 20.6 1.0
NE2 B:HIS450 3.6 23.8 1.0
CG B:HIS62 3.6 21.1 1.0
CD2 B:HIS450 3.7 20.9 1.0
CU3 B:C2O702 3.7 28.9 1.0
CE1 B:HIS450 3.8 24.7 1.0
CB B:HIS62 3.8 22.9 1.0
CG B:HIS450 3.9 11.9 1.0
CU2 B:C2O702 3.9 32.4 1.0
ND1 B:HIS450 3.9 19.7 1.0
ND1 B:HIS60 4.0 4.0 1.0
O1 B:C2O702 4.0 27.1 1.0
CG B:HIS60 4.0 11.2 1.0
ND1 B:HIS448 4.0 26.4 1.0
CG B:HIS448 4.1 19.1 1.0
N B:GLY63 4.1 24.9 1.0
CE1 B:HIS62 4.2 24.7 1.0
CD2 B:HIS62 4.4 22.7 1.0
C B:HIS62 4.4 22.4 1.0
O B:HOH811 4.5 33.8 1.0
N B:HIS62 4.5 20.9 1.0
NE2 B:HIS62 4.7 14.0 1.0
O B:TRP61 4.7 18.1 1.0
NE2 B:HIS104 4.8 11.7 1.0
CA B:HIS450 4.8 12.9 1.0
CB B:HIS450 4.8 17.5 1.0
C B:TRP61 4.9 18.0 1.0

Reference:

A.Messerschmidt, R.Ladenstein, R.Huber, M.Bolognesi, L.Avigliano, R.Petruzzelli, A.Rossi, A.Finazzi-Agro. Refined Crystal Structure of Ascorbate Oxidase at 1.9 A Resolution. J.Mol.Biol. V. 224 179 1992.
ISSN: ISSN 0022-2836
PubMed: 1548698
DOI: 10.1016/0022-2836(92)90583-6
Page generated: Tue Jul 30 21:29:13 2024

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