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Copper in PDB 4z10: Inactive Aurone Synthase (Polyphenol Oxidase) Co-Crystallized with 1, 4-Resorcinol

Protein crystallography data

The structure of Inactive Aurone Synthase (Polyphenol Oxidase) Co-Crystallized with 1, 4-Resorcinol, PDB code: 4z10 was solved by C.Molitor, S.G.Mauracher, A.Rompel, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 48.92 / 1.93
Space group P 31 2 1
Cell size a, b, c (Å), α, β, γ (°) 137.100, 137.100, 209.520, 90.00, 90.00, 120.00
R / Rfree (%) 14.4 / 17.9

Copper Binding Sites:

The binding sites of Copper atom in the Inactive Aurone Synthase (Polyphenol Oxidase) Co-Crystallized with 1, 4-Resorcinol (pdb code 4z10). This binding sites where shown within 5.0 Angstroms radius around Copper atom.
In total 6 binding sites of Copper where determined in the Inactive Aurone Synthase (Polyphenol Oxidase) Co-Crystallized with 1, 4-Resorcinol, PDB code: 4z10:
Jump to Copper binding site number: 1; 2; 3; 4; 5; 6;

Copper binding site 1 out of 6 in 4z10

Go back to Copper Binding Sites List in 4z10
Copper binding site 1 out of 6 in the Inactive Aurone Synthase (Polyphenol Oxidase) Co-Crystallized with 1, 4-Resorcinol


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 1 of Inactive Aurone Synthase (Polyphenol Oxidase) Co-Crystallized with 1, 4-Resorcinol within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cu601

b:27.4
occ:1.00
NE2 A:HIS116 2.0 20.5 1.0
NE2 A:HIS93 2.0 22.6 1.0
NE2 A:HIS125 2.0 20.8 1.0
CE1 A:HIS125 2.8 24.3 1.0
HE1 A:HIS125 2.8 29.1 1.0
CD2 A:HIS93 2.9 19.8 1.0
CE1 A:HIS116 2.9 19.5 1.0
O2 A:HS8252 3.0 36.1 0.9
HD2 A:HIS93 3.0 23.8 1.0
CE1 A:HIS93 3.0 23.9 1.0
CD2 A:HIS116 3.0 20.3 1.0
CD2 A:HIS125 3.2 24.1 1.0
HE1 A:HIS93 3.3 28.7 1.0
HD2 A:HIS116 3.3 24.4 1.0
HD11 A:ILE115 3.4 31.8 1.0
SG A:CYS97 3.4 23.0 1.0
HD2 A:HIS125 3.5 28.9 1.0
HE2 A:HIS286 3.6 40.6 1.0
O1 A:HS8252 3.8 41.1 0.9
S A:HS8252 3.9 40.6 0.9
HZ A:PHE282 3.9 31.8 1.0
ND1 A:HIS125 4.0 22.1 1.0
CG A:HIS93 4.0 20.9 1.0
ND1 A:HIS116 4.0 20.6 1.0
ND1 A:HIS93 4.1 23.2 1.0
NE2 A:HIS286 4.1 33.8 1.0
CG A:HIS116 4.1 20.0 1.0
CD1 A:ILE115 4.2 26.5 1.0
HE1 A:PHE121 4.2 25.1 1.0
CG A:HIS125 4.2 19.9 1.0
HE1 A:PHE282 4.2 29.3 1.0
HD12 A:ILE115 4.3 31.8 1.0
HD13 A:ILE115 4.4 31.8 1.0
HE2 A:PHE124 4.4 30.4 1.0
HD1 A:PHE273 4.5 34.5 1.0
HD2 A:PHE124 4.6 26.4 1.0
HE1 A:HIS286 4.6 40.5 1.0
CZ A:PHE282 4.7 26.5 1.0
CE1 A:HIS286 4.7 33.8 1.0
HD1 A:HIS125 4.7 26.5 1.0
HD1 A:PHE121 4.8 23.1 1.0
CD1 A:PHE273 4.8 28.8 1.0
HD1 A:HIS116 4.8 24.8 1.0
O3 A:HS8252 4.8 47.4 0.9
CE1 A:PHE282 4.8 24.4 1.0
HD1 A:HIS93 4.8 27.8 1.0
CE1 A:PHE121 4.9 20.9 1.0

Copper binding site 2 out of 6 in 4z10

Go back to Copper Binding Sites List in 4z10
Copper binding site 2 out of 6 in the Inactive Aurone Synthase (Polyphenol Oxidase) Co-Crystallized with 1, 4-Resorcinol


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 2 of Inactive Aurone Synthase (Polyphenol Oxidase) Co-Crystallized with 1, 4-Resorcinol within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cu601

b:28.0
occ:1.00
NE2 B:HIS116 2.0 23.9 1.0
NE2 B:HIS125 2.0 22.2 1.0
NE2 B:HIS93 2.0 23.2 1.0
CE1 B:HIS125 2.8 22.4 1.0
CD2 B:HIS93 2.9 23.3 1.0
CE1 B:HIS116 2.9 25.9 1.0
HE1 B:HIS125 2.9 26.9 1.0
HD2 B:HIS93 3.0 28.0 1.0
O2 B:HS8252 3.0 36.4 0.9
CD2 B:HIS116 3.1 21.9 1.0
CE1 B:HIS93 3.1 23.9 1.0
CD2 B:HIS125 3.2 21.9 1.0
HD2 B:HIS116 3.3 26.3 1.0
HD11 B:ILE115 3.3 35.1 1.0
HE1 B:HIS93 3.4 28.7 1.0
HD2 B:HIS125 3.5 26.3 1.0
SG B:CYS97 3.5 25.3 1.0
HE2 B:HIS286 3.6 43.5 1.0
O1 B:HS8252 3.7 47.1 0.9
S B:HS8252 3.9 41.7 0.9
HZ B:PHE282 3.9 36.6 1.0
ND1 B:HIS125 4.0 22.0 1.0
ND1 B:HIS116 4.0 25.4 1.0
CG B:HIS93 4.0 22.7 1.0
ND1 B:HIS93 4.1 24.1 1.0
CG B:HIS116 4.1 21.8 1.0
CD1 B:ILE115 4.1 29.3 1.0
NE2 B:HIS286 4.2 36.3 1.0
CG B:HIS125 4.2 21.4 1.0
HE1 B:PHE282 4.2 32.2 1.0
HD12 B:ILE115 4.3 35.1 1.0
HE1 B:PHE121 4.3 28.7 1.0
HE2 B:PHE124 4.3 26.0 1.0
HD13 B:ILE115 4.4 35.1 1.0
HD1 B:PHE273 4.5 41.9 1.0
HE1 B:HIS286 4.6 39.8 1.0
HD2 B:PHE124 4.6 27.0 1.0
CE1 B:HIS286 4.7 33.2 1.0
CZ B:PHE282 4.7 30.5 1.0
O3 B:HS8252 4.7 41.1 0.9
HD1 B:HIS125 4.8 26.4 1.0
HD1 B:HIS116 4.8 30.5 1.0
CD1 B:PHE273 4.8 34.9 1.0
HD1 B:PHE121 4.8 27.9 1.0
CE1 B:PHE282 4.8 26.8 1.0
HD1 B:HIS93 4.9 28.9 1.0
HB3 B:PHE273 5.0 36.0 1.0

Copper binding site 3 out of 6 in 4z10

Go back to Copper Binding Sites List in 4z10
Copper binding site 3 out of 6 in the Inactive Aurone Synthase (Polyphenol Oxidase) Co-Crystallized with 1, 4-Resorcinol


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 3 of Inactive Aurone Synthase (Polyphenol Oxidase) Co-Crystallized with 1, 4-Resorcinol within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cu601

b:27.6
occ:1.00
NE2 C:HIS93 2.0 23.3 1.0
NE2 C:HIS125 2.0 24.7 1.0
NE2 C:HIS116 2.0 22.6 1.0
CE1 C:HIS125 2.8 25.1 1.0
O1 C:HS8252 2.8 40.0 0.9
CD2 C:HIS93 2.9 24.0 1.0
HE1 C:HIS125 2.9 30.1 1.0
CE1 C:HIS116 3.0 24.4 1.0
HD2 C:HIS93 3.0 28.8 1.0
CE1 C:HIS93 3.0 22.5 1.0
CD2 C:HIS116 3.0 24.0 1.0
CD2 C:HIS125 3.2 26.2 1.0
HD2 C:HIS116 3.2 28.8 1.0
HE1 C:HIS93 3.3 27.1 1.0
HD11 C:ILE115 3.3 29.9 1.0
HD2 C:HIS125 3.5 31.4 1.0
SG C:CYS97 3.5 24.0 1.0
HE2 C:HIS286 3.5 43.6 1.0
S C:HS8252 3.9 41.9 0.9
O2 C:HS8252 3.9 41.6 0.9
HZ C:PHE282 4.0 30.5 1.0
ND1 C:HIS125 4.0 24.8 1.0
CG C:HIS93 4.0 24.4 1.0
ND1 C:HIS93 4.1 24.1 1.0
ND1 C:HIS116 4.1 24.6 1.0
CD1 C:ILE115 4.1 24.9 1.0
NE2 C:HIS286 4.2 36.4 1.0
CG C:HIS116 4.2 20.6 1.0
CG C:HIS125 4.2 24.2 1.0
HE1 C:PHE282 4.2 29.4 1.0
HD12 C:ILE115 4.3 29.9 1.0
HE1 C:PHE121 4.3 25.9 1.0
HD13 C:ILE115 4.4 29.9 1.0
HE2 C:PHE124 4.4 27.9 1.0
HD1 C:PHE273 4.6 40.1 1.0
HD2 C:PHE124 4.6 25.8 1.0
O3 C:HS8252 4.7 43.8 0.9
CZ C:PHE282 4.7 25.4 1.0
HD1 C:HIS125 4.8 29.8 1.0
HE1 C:HIS286 4.8 43.3 1.0
HD1 C:PHE121 4.8 23.0 1.0
CE1 C:HIS286 4.8 36.1 1.0
CD1 C:PHE273 4.8 33.4 1.0
CE1 C:PHE282 4.9 24.5 1.0
HD1 C:HIS93 4.9 28.9 1.0
HD1 C:HIS116 4.9 29.5 1.0

Copper binding site 4 out of 6 in 4z10

Go back to Copper Binding Sites List in 4z10
Copper binding site 4 out of 6 in the Inactive Aurone Synthase (Polyphenol Oxidase) Co-Crystallized with 1, 4-Resorcinol


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 4 of Inactive Aurone Synthase (Polyphenol Oxidase) Co-Crystallized with 1, 4-Resorcinol within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cu601

b:29.0
occ:1.00
NE2 D:HIS125 2.0 23.2 1.0
NE2 D:HIS93 2.0 22.4 1.0
NE2 D:HIS116 2.1 23.2 1.0
CE1 D:HIS125 2.8 23.0 1.0
CD2 D:HIS93 2.9 21.9 1.0
HE1 D:HIS125 2.9 27.6 1.0
O1 D:HS8252 2.9 43.3 0.9
HD2 D:HIS93 3.0 26.3 1.0
CE1 D:HIS116 3.0 24.1 1.0
CD2 D:HIS116 3.1 24.2 1.0
CE1 D:HIS93 3.1 25.1 1.0
CD2 D:HIS125 3.2 24.6 1.0
HD11 D:ILE115 3.3 29.6 1.0
HD2 D:HIS116 3.3 29.1 1.0
HE1 D:HIS93 3.4 30.1 1.0
SG D:CYS97 3.4 25.8 1.0
HD2 D:HIS125 3.5 29.5 1.0
HE2 D:HIS286 3.7 41.3 1.0
HZ D:PHE282 3.8 34.3 1.0
S D:HS8252 4.0 47.3 0.9
ND1 D:HIS125 4.0 23.7 1.0
O2 D:HS8252 4.0 46.5 0.9
CG D:HIS93 4.0 23.7 1.0
CD1 D:ILE115 4.1 24.7 1.0
ND1 D:HIS93 4.1 26.5 1.0
ND1 D:HIS116 4.1 23.2 1.0
CG D:HIS116 4.2 24.3 1.0
CG D:HIS125 4.2 22.1 1.0
NE2 D:HIS286 4.2 34.4 1.0
HD12 D:ILE115 4.3 29.6 1.0
HD13 D:ILE115 4.3 29.6 1.0
HE2 D:PHE124 4.3 29.1 1.0
HE1 D:PHE282 4.4 33.6 1.0
HE1 D:PHE121 4.4 27.9 1.0
HE1 D:HIS286 4.5 38.8 1.0
HD1 D:PHE273 4.5 42.0 1.0
HD2 D:PHE124 4.6 26.5 1.0
CZ D:PHE282 4.6 28.6 1.0
CE1 D:HIS286 4.7 32.3 1.0
HD1 D:HIS125 4.7 28.4 1.0
CD1 D:PHE273 4.8 35.0 1.0
O3 D:HS8252 4.8 48.9 0.9
HD1 D:PHE121 4.9 26.8 1.0
CE1 D:PHE282 4.9 28.0 1.0
HD1 D:HIS116 4.9 27.8 1.0
HD1 D:HIS93 4.9 31.8 1.0
HE1 D:PHE273 5.0 45.3 1.0

Copper binding site 5 out of 6 in 4z10

Go back to Copper Binding Sites List in 4z10
Copper binding site 5 out of 6 in the Inactive Aurone Synthase (Polyphenol Oxidase) Co-Crystallized with 1, 4-Resorcinol


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 5 of Inactive Aurone Synthase (Polyphenol Oxidase) Co-Crystallized with 1, 4-Resorcinol within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cu601

b:27.0
occ:1.00
NE2 E:HIS93 2.0 21.1 1.0
NE2 E:HIS116 2.0 20.9 1.0
NE2 E:HIS125 2.0 21.0 1.0
CE1 E:HIS125 2.8 19.2 1.0
CD2 E:HIS93 2.8 20.9 1.0
HE1 E:HIS125 2.8 23.1 1.0
CE1 E:HIS116 2.8 22.2 1.0
HD2 E:HIS93 3.0 25.0 1.0
O2 E:HS8252 3.0 37.5 0.9
CE1 E:HIS93 3.0 23.8 1.0
CD2 E:HIS116 3.1 21.4 1.0
CD2 E:HIS125 3.2 22.1 1.0
HE1 E:HIS93 3.3 28.6 1.0
HD11 E:ILE115 3.3 29.4 1.0
HD2 E:HIS116 3.4 25.7 1.0
SG E:CYS97 3.5 23.5 1.0
HD2 E:HIS125 3.5 26.6 1.0
HE2 E:HIS286 3.7 43.4 1.0
HZ E:PHE282 3.8 33.5 1.0
O1 E:HS8252 3.8 44.1 0.9
S E:HS8252 3.9 42.6 0.9
ND1 E:HIS125 4.0 21.1 1.0
CG E:HIS93 4.0 22.1 1.0
ND1 E:HIS116 4.0 24.8 1.0
ND1 E:HIS93 4.1 25.3 1.0
CD1 E:ILE115 4.1 24.5 1.0
CG E:HIS116 4.2 22.8 1.0
NE2 E:HIS286 4.2 36.1 1.0
CG E:HIS125 4.2 20.7 1.0
HD12 E:ILE115 4.3 29.4 1.0
HE1 E:PHE282 4.3 30.4 1.0
HD13 E:ILE115 4.3 29.4 1.0
HE1 E:PHE121 4.4 26.8 1.0
HE2 E:PHE124 4.4 24.3 1.0
HD1 E:PHE273 4.5 36.4 1.0
HE1 E:HIS286 4.6 42.1 1.0
HD2 E:PHE124 4.6 24.5 1.0
CZ E:PHE282 4.6 27.9 1.0
CE1 E:HIS286 4.7 35.1 1.0
HD1 E:HIS125 4.7 25.3 1.0
HD1 E:HIS116 4.8 29.8 1.0
HD1 E:PHE121 4.8 26.4 1.0
CD1 E:PHE273 4.8 30.3 1.0
O3 E:HS8252 4.8 46.1 0.9
CE1 E:PHE282 4.8 25.3 1.0
HD1 E:HIS93 4.9 30.3 1.0

Copper binding site 6 out of 6 in 4z10

Go back to Copper Binding Sites List in 4z10
Copper binding site 6 out of 6 in the Inactive Aurone Synthase (Polyphenol Oxidase) Co-Crystallized with 1, 4-Resorcinol


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 6 of Inactive Aurone Synthase (Polyphenol Oxidase) Co-Crystallized with 1, 4-Resorcinol within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Cu700

b:31.0
occ:1.00
NE2 F:HIS125 2.1 26.2 1.0
NE2 F:HIS93 2.1 26.9 1.0
NE2 F:HIS116 2.1 25.6 1.0
CE1 F:HIS125 2.8 23.3 1.0
CD2 F:HIS93 2.9 28.6 1.0
O1 F:HS8252 2.9 42.6 0.9
HE1 F:HIS125 2.9 28.0 1.0
HD2 F:HIS93 2.9 34.4 1.0
CD2 F:HIS116 3.1 25.7 1.0
CE1 F:HIS116 3.1 29.0 1.0
CE1 F:HIS93 3.2 26.7 1.0
CD2 F:HIS125 3.2 26.5 1.0
HD2 F:HIS116 3.3 30.9 1.0
HD11 F:ILE115 3.3 36.8 1.0
SG F:CYS97 3.4 27.3 1.0
HE1 F:HIS93 3.5 32.1 1.0
HD2 F:HIS125 3.5 31.8 1.0
HE2 F:HIS286 3.6 48.9 1.0
HZ F:PHE282 3.9 33.6 1.0
S F:HS8252 3.9 46.1 0.9
O2 F:HS8252 4.0 39.3 0.9
ND1 F:HIS125 4.0 23.6 1.0
CG F:HIS93 4.1 28.8 1.0
CD1 F:ILE115 4.1 30.7 1.0
NE2 F:HIS286 4.2 40.8 1.0
HE1 F:PHE282 4.2 32.4 1.0
ND1 F:HIS93 4.2 28.7 1.0
ND1 F:HIS116 4.2 27.2 1.0
CG F:HIS116 4.2 25.6 1.0
CG F:HIS125 4.2 25.1 1.0
HE1 F:PHE121 4.3 27.7 1.0
HD12 F:ILE115 4.3 36.8 1.0
HD13 F:ILE115 4.4 36.8 1.0
HE2 F:PHE124 4.4 33.5 1.0
HD1 F:PHE273 4.5 38.0 1.0
HD2 F:PHE124 4.6 33.3 1.0
HE1 F:HIS286 4.6 46.1 1.0
CZ F:PHE282 4.6 28.0 1.0
CE1 F:HIS286 4.7 38.4 1.0
HD1 F:HIS125 4.8 28.3 1.0
CE1 F:PHE282 4.8 27.0 1.0
O3 F:HS8252 4.8 49.7 0.9
CD1 F:PHE273 4.8 31.6 1.0
HD1 F:PHE121 4.8 26.8 1.0
HD1 F:HIS116 5.0 32.6 1.0
CE1 F:PHE121 5.0 23.1 1.0
HD1 F:HIS93 5.0 34.5 1.0

Reference:

C.Molitor, S.G.Mauracher, A.Rompel. Inactive Aurone Synthase (Polyphenol Oxidase) Co-Crystallized with 1,4-Resorcinol To Be Published.
Page generated: Mon Jul 14 04:16:04 2025

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