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Copper in PDB 4z12: Recombinantly Expressed Latent Aurone Synthase (Polyphenol Oxidase) Co-Crystallized with Hexatungstotellurate(VI)

Protein crystallography data

The structure of Recombinantly Expressed Latent Aurone Synthase (Polyphenol Oxidase) Co-Crystallized with Hexatungstotellurate(VI), PDB code: 4z12 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) 48.14 / 1.85
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 52.990, 110.410, 94.990, 90.00, 95.76, 90.00
R / Rfree (%) 17.2 / 20.5

Other elements in 4z12:

The structure of Recombinantly Expressed Latent Aurone Synthase (Polyphenol Oxidase) Co-Crystallized with Hexatungstotellurate(VI) also contains other interesting chemical elements:

Tungsten (W) 19 atoms
Tellurium (Te) 3 atoms

Copper Binding Sites:

The binding sites of Copper atom in the Recombinantly Expressed Latent Aurone Synthase (Polyphenol Oxidase) Co-Crystallized with Hexatungstotellurate(VI) (pdb code 4z12). This binding sites where shown within 5.0 Angstroms radius around Copper atom.
In total 4 binding sites of Copper where determined in the Recombinantly Expressed Latent Aurone Synthase (Polyphenol Oxidase) Co-Crystallized with Hexatungstotellurate(VI), PDB code: 4z12:
Jump to Copper binding site number: 1; 2; 3; 4;

Copper binding site 1 out of 4 in 4z12

Go back to Copper Binding Sites List in 4z12
Copper binding site 1 out of 4 in the Recombinantly Expressed Latent Aurone Synthase (Polyphenol Oxidase) Co-Crystallized with Hexatungstotellurate(VI)


Mono view


Stereo pair view

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

b:48.5
occ:1.00
NE2 A:HIS96 2.0 40.3 1.0
NE2 A:HIS119 2.1 43.3 1.0
NE2 A:HIS128 2.1 35.2 1.0
O A:HOH863 2.3 50.4 1.0
CE1 A:HIS128 2.9 36.0 1.0
HE1 A:HIS128 2.9 43.2 1.0
CE1 A:HIS119 2.9 47.6 1.0
CD2 A:HIS96 3.0 36.6 1.0
CE1 A:HIS96 3.0 40.6 1.0
CD2 A:HIS119 3.2 44.6 1.0
HD2 A:HIS96 3.2 43.9 1.0
HE1 A:HIS96 3.2 48.7 1.0
CD2 A:HIS128 3.3 33.5 1.0
HD2 A:HIS119 3.4 53.6 1.0
SG A:CYS100 3.6 40.7 1.0
HD2 A:HIS128 3.6 40.2 1.0
HD11 A:ILE118 3.7 48.1 1.0
CU A:CU602 3.9 47.4 1.0
HZ A:PHE285 4.0 41.2 1.0
HE1 A:PHE285 4.0 39.5 1.0
HE1 A:HIS289 4.0 44.1 1.0
ND1 A:HIS128 4.1 31.9 1.0
ND1 A:HIS96 4.1 42.5 1.0
ND1 A:HIS119 4.1 46.3 1.0
CG A:HIS96 4.1 37.1 1.0
HE1 A:PHE124 4.1 39.4 1.0
NE2 A:HIS289 4.2 38.5 1.0
CG A:HIS119 4.2 45.1 1.0
CG A:HIS128 4.3 30.4 1.0
CE1 A:HIS289 4.3 36.8 1.0
HD1 A:PHE276 4.4 62.9 1.0
HE1 A:PHE276 4.5 66.0 1.0
CD1 A:PHE276 4.5 52.4 1.0
CE1 A:PHE276 4.5 55.0 1.0
CD1 A:ILE118 4.5 40.0 1.0
HE2 A:PHE127 4.6 41.3 1.0
CZ A:PHE285 4.7 34.4 1.0
CE1 A:PHE285 4.7 32.9 1.0
HD12 A:ILE118 4.7 48.1 1.0
HD1 A:PHE124 4.8 38.9 1.0
HD1 A:HIS128 4.8 38.3 1.0
HD13 A:ILE118 4.8 48.1 1.0
HD2 A:PHE127 4.8 39.6 1.0
CE1 A:PHE124 4.8 32.9 1.0
HD1 A:HIS119 4.9 55.6 1.0
HD1 A:HIS96 4.9 50.9 1.0
HE1 A:HIS255 4.9 46.2 1.0
NE2 A:HIS255 5.0 41.0 1.0

Copper binding site 2 out of 4 in 4z12

Go back to Copper Binding Sites List in 4z12
Copper binding site 2 out of 4 in the Recombinantly Expressed Latent Aurone Synthase (Polyphenol Oxidase) Co-Crystallized with Hexatungstotellurate(VI)


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 2 of Recombinantly Expressed Latent Aurone Synthase (Polyphenol Oxidase) Co-Crystallized with Hexatungstotellurate(VI) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cu602

b:47.4
occ:1.00
O A:HOH863 1.9 50.4 1.0
NE2 A:HIS255 2.0 41.0 1.0
NE2 A:HIS289 2.1 38.5 1.0
NE2 A:HIS259 2.1 50.9 1.0
CE1 A:HIS289 2.9 36.8 1.0
CD2 A:HIS255 2.9 33.8 1.0
HE1 A:HIS289 2.9 44.1 1.0
CE1 A:HIS255 3.0 38.5 1.0
CD2 A:HIS259 3.0 47.9 1.0
CE1 A:HIS259 3.1 50.9 1.0
HD2 A:HIS255 3.1 40.5 1.0
HD2 A:HIS259 3.2 57.5 1.0
HE1 A:HIS255 3.2 46.2 1.0
HE1 A:PHE285 3.2 39.5 1.0
CD2 A:HIS289 3.2 37.4 1.0
HE1 A:HIS259 3.3 61.1 1.0
HD2 A:HIS289 3.5 44.9 1.0
HE1 A:PHE276 3.8 66.0 1.0
CU A:CU601 3.9 48.5 1.0
HE1 A:PHE124 4.0 39.4 1.0
ND1 A:HIS255 4.0 38.5 1.0
CE1 A:PHE285 4.0 32.9 1.0
CG A:HIS255 4.1 37.0 1.0
ND1 A:HIS289 4.1 31.1 1.0
CG A:HIS259 4.1 45.2 1.0
ND1 A:HIS259 4.1 50.6 1.0
HD2 A:HIS288 4.2 44.2 1.0
CG A:HIS289 4.3 33.1 1.0
HD1 A:PHE285 4.4 40.8 1.0
CE1 A:PHE276 4.5 55.0 1.0
HZ A:PHE124 4.5 37.0 1.0
NE2 A:HIS96 4.6 40.3 1.0
HE1 A:HIS96 4.7 48.7 1.0
HE2 A:HIS288 4.7 44.2 1.0
HD1 A:PHE276 4.7 62.9 1.0
NE2 A:HIS128 4.7 35.2 1.0
CD1 A:PHE285 4.7 34.0 1.0
CE1 A:PHE124 4.8 32.9 1.0
HD1 A:HIS289 4.8 37.3 1.0
CD2 A:HIS288 4.8 36.8 1.0
HD1 A:HIS255 4.8 46.2 1.0
HD1 A:HIS259 4.9 60.7 1.0
HZ A:PHE285 4.9 41.2 1.0
CE1 A:HIS96 5.0 40.6 1.0
CZ A:PHE285 5.0 34.4 1.0

Copper binding site 3 out of 4 in 4z12

Go back to Copper Binding Sites List in 4z12
Copper binding site 3 out of 4 in the Recombinantly Expressed Latent Aurone Synthase (Polyphenol Oxidase) Co-Crystallized with Hexatungstotellurate(VI)


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 3 of Recombinantly Expressed Latent Aurone Synthase (Polyphenol Oxidase) Co-Crystallized with Hexatungstotellurate(VI) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cu601

b:45.3
occ:1.00
NE2 B:HIS96 1.9 37.9 1.0
NE2 B:HIS128 2.2 29.4 1.0
NE2 B:HIS119 2.2 38.7 1.0
O B:HOH733 2.6 49.5 1.0
CD2 B:HIS96 2.9 39.4 1.0
CE1 B:HIS96 2.9 37.8 1.0
CE1 B:HIS128 2.9 26.8 1.0
HE1 B:HIS128 3.0 32.2 1.0
CE1 B:HIS119 3.0 39.3 1.0
HD2 B:HIS96 3.1 47.3 1.0
HE1 B:HIS96 3.2 45.4 1.0
CD2 B:HIS128 3.3 27.1 1.0
CD2 B:HIS119 3.3 34.5 1.0
HD2 B:HIS119 3.5 41.4 1.0
SG B:CYS100 3.6 36.3 1.0
HD2 B:HIS128 3.6 32.5 1.0
HD11 B:ILE118 3.7 45.4 1.0
CU B:CU602 3.9 44.9 1.0
HZ B:PHE285 3.9 39.4 1.0
HE1 B:PHE285 4.0 37.8 1.0
ND1 B:HIS96 4.0 39.4 1.0
CG B:HIS96 4.1 38.5 1.0
HD1 B:PHE276 4.1 63.6 1.0
HE1 B:PHE276 4.1 61.7 1.0
ND1 B:HIS128 4.1 27.7 1.0
NE2 B:HIS289 4.2 35.0 1.0
HE1 B:HIS289 4.2 34.2 1.0
ND1 B:HIS119 4.2 38.8 1.0
CD1 B:PHE276 4.3 53.0 1.0
CE1 B:PHE276 4.3 51.4 1.0
HE1 B:PHE124 4.3 32.9 1.0
CG B:HIS128 4.3 23.5 1.0
CG B:HIS119 4.4 37.9 1.0
CE1 B:HIS289 4.4 28.5 1.0
CD1 B:ILE118 4.5 37.8 1.0
HE2 B:PHE127 4.5 30.0 1.0
CZ B:PHE285 4.6 32.8 1.0
CE1 B:PHE285 4.6 31.5 1.0
HD12 B:ILE118 4.6 45.4 1.0
HD13 B:ILE118 4.7 45.4 1.0
HD2 B:PHE127 4.8 33.0 1.0
HD1 B:HIS96 4.8 47.3 1.0
HD1 B:HIS128 4.9 33.2 1.0
HD1 B:HIS119 5.0 46.6 1.0
NE2 B:HIS255 5.0 30.8 1.0
HD1 B:PHE124 5.0 33.6 1.0

Copper binding site 4 out of 4 in 4z12

Go back to Copper Binding Sites List in 4z12
Copper binding site 4 out of 4 in the Recombinantly Expressed Latent Aurone Synthase (Polyphenol Oxidase) Co-Crystallized with Hexatungstotellurate(VI)


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 4 of Recombinantly Expressed Latent Aurone Synthase (Polyphenol Oxidase) Co-Crystallized with Hexatungstotellurate(VI) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cu602

b:44.9
occ:1.00
O B:HOH733 1.8 49.5 1.0
NE2 B:HIS289 2.1 35.0 1.0
NE2 B:HIS255 2.1 30.8 1.0
NE2 B:HIS259 2.1 52.0 1.0
CD2 B:HIS255 2.9 26.0 1.0
CE1 B:HIS289 3.0 28.5 1.0
HD2 B:HIS255 3.0 31.2 1.0
CD2 B:HIS259 3.0 50.3 1.0
CE1 B:HIS259 3.1 54.2 1.0
HE1 B:HIS289 3.1 34.2 1.0
CD2 B:HIS289 3.1 33.5 1.0
CE1 B:HIS255 3.1 33.9 1.0
HD2 B:HIS259 3.2 60.4 1.0
HE1 B:PHE285 3.2 37.8 1.0
HE1 B:HIS259 3.3 65.0 1.0
HD2 B:HIS289 3.3 40.1 1.0
HE1 B:HIS255 3.4 40.7 1.0
HE1 B:PHE276 3.8 61.7 1.0
CU B:CU601 3.9 45.3 1.0
HE1 B:PHE124 4.0 32.9 1.0
CE1 B:PHE285 4.0 31.5 1.0
HD2 B:HIS288 4.0 36.9 1.0
ND1 B:HIS289 4.1 27.6 1.0
CG B:HIS255 4.1 28.3 1.0
ND1 B:HIS259 4.1 53.3 1.0
CG B:HIS259 4.2 47.1 1.0
ND1 B:HIS255 4.2 33.0 1.0
CG B:HIS289 4.2 26.3 1.0
HD1 B:PHE285 4.5 38.8 1.0
HE2 B:HIS288 4.5 36.1 1.0
NE2 B:HIS128 4.6 29.4 1.0
HZ B:PHE124 4.6 30.4 1.0
CE1 B:PHE276 4.6 51.4 1.0
CD2 B:HIS288 4.7 30.8 1.0
CD1 B:PHE285 4.7 32.4 1.0
NE2 B:HIS96 4.7 37.9 1.0
HD1 B:PHE276 4.7 63.6 1.0
HE1 B:HIS96 4.7 45.4 1.0
CE1 B:PHE124 4.8 27.4 1.0
HD1 B:HIS289 4.9 33.2 1.0
HZ B:PHE285 4.9 39.4 1.0
NE2 B:HIS288 4.9 30.1 1.0
CZ B:PHE285 4.9 32.8 1.0
HD1 B:HIS259 4.9 64.0 1.0
HD1 B:HIS255 5.0 39.6 1.0
CD2 B:HIS128 5.0 27.1 1.0
CE1 B:HIS96 5.0 37.8 1.0

Reference:

C.Molitor, S.G.Mauracher, A.Rompel. Aurone Synthase Is A Catechol Oxidase with Hydroxylase Activity and Provides Insights Into the Mechanism of Plant Polyphenol Oxidases. Proc.Natl.Acad.Sci.Usa V. 113 E1806 2016.
ISSN: ESSN 1091-6490
PubMed: 26976571
DOI: 10.1073/PNAS.1523575113
Page generated: Sun Dec 13 11:16:44 2020

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