Tellurium in PDB 4z13: Recombinantly Expressed Latent Aurone Synthase (Polyphenol Oxidase) Co-Crystallized with Hexatungstotellurate(VI) and Soaked in H2O2

The structure of Recombinantly Expressed Latent Aurone Synthase (Polyphenol Oxidase) Co-Crystallized with Hexatungstotellurate(VI) and Soaked in H2O2, PDB code: 4z13 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)	47.42 / 1.78
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	52.880, 109.750, 94.760, 90.00, 96.30, 90.00
R / Rfree (%)	15.7 / 19.6

The structure of Recombinantly Expressed Latent Aurone Synthase (Polyphenol Oxidase) Co-Crystallized with Hexatungstotellurate(VI) and Soaked in H2O2 also contains other interesting chemical elements:

Tungsten	(W)	19 atoms
Copper	(Cu)	4 atoms

The binding sites of Tellurium atom in the Recombinantly Expressed Latent Aurone Synthase (Polyphenol Oxidase) Co-Crystallized with Hexatungstotellurate(VI) and Soaked in H2O2 (pdb code 4z13). This binding sites where shown within 5.0 Angstroms radius around Tellurium atom.
In total 3 binding sites of Tellurium where determined in the Recombinantly Expressed Latent Aurone Synthase (Polyphenol Oxidase) Co-Crystallized with Hexatungstotellurate(VI) and Soaked in H2O2, PDB code: 4z13:
Jump to Tellurium binding site number: 1; 2; 3;

Tellurium binding site 1 out of 3 in the Recombinantly Expressed Latent Aurone Synthase (Polyphenol Oxidase) Co-Crystallized with Hexatungstotellurate(VI) and Soaked in H2O2


Mono view


Stereo pair view

A full contact list of Tellurium with other atoms in the Te binding site number 1 of Recombinantly Expressed Latent Aurone Synthase (Polyphenol Oxidase) Co-Crystallized with Hexatungstotellurate(VI) and Soaked in H2O2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Te607 b:30.9 occ:0.93 TE1 A:TEW607 0.0 30.9 0.9 O12 A:TEW607 1.8 33.2 0.9 O11 A:TEW607 1.9 28.7 0.9 O7 A:TEW607 1.9 34.1 0.9 O1 A:TEW607 1.9 29.1 0.9 O13 A:TEW607 1.9 30.8 0.9 O2 A:TEW607 2.0 29.7 0.9 HZ3 A:LYS352 3.2 38.5 1.0 W2 A:TEW607 3.2 36.1 0.9 W6 A:TEW607 3.2 35.2 0.9 W3 A:TEW607 3.3 34.5 0.9 W1 A:TEW607 3.3 33.6 0.9 O20 A:TEW607 3.3 35.0 0.9 HZ2 A:LYS62 3.4 60.0 1.0 O10 A:TEW607 3.4 38.0 0.9 O3 A:TEW607 3.4 31.0 0.9 O14 A:TEW607 3.4 36.5 0.9 HZ3 A:LYS62 3.5 60.0 1.0 O4 A:TEW607 3.5 31.5 0.9 O A:HOH776 3.6 32.4 1.0 HZ1 A:LYS352 3.6 38.5 1.0 W5 A:TEW607 3.7 27.5 0.9 W4 A:TEW607 3.8 27.0 0.9 NZ A:LYS352 3.8 32.1 1.0 NZ A:LYS62 3.9 50.0 1.0 OE1 A:GLU157 4.0 27.4 1.0 OE2 A:GLU157 4.1 23.7 1.0 CD A:GLU157 4.2 28.6 1.0 O18 A:TEW607 4.3 36.5 0.9 O21 A:TEW607 4.4 32.8 0.9 HZ2 A:LYS352 4.4 38.5 1.0 HZ1 A:LYS62 4.4 60.0 1.0 O9 A:TEW607 4.5 49.3 0.9 O23 A:TEW607 4.5 28.3 0.9 HE2 A:LYS62 4.5 58.5 1.0 O31 A:TEW607 4.5 45.1 0.9 O8 A:TEW607 4.5 47.6 0.9 O16 A:TEW607 4.5 55.5 0.9 HE3 A:LYS352 4.6 43.3 1.0 O15 A:TEW607 4.6 33.2 0.9 O5 A:TEW607 4.6 34.5 0.9 O6 A:TEW607 4.6 38.8 0.9 O A:HOH857 4.7 31.0 1.0 CE A:LYS62 4.8 48.8 1.0 CE A:LYS352 4.8 36.1 1.0 O17 A:TEW607 4.9 27.4 0.9 O A:HOH733 4.9 23.1 1.0

Tellurium binding site 2 out of 3 in the Recombinantly Expressed Latent Aurone Synthase (Polyphenol Oxidase) Co-Crystallized with Hexatungstotellurate(VI) and Soaked in H2O2


Mono view


Stereo pair view

A full contact list of Tellurium with other atoms in the Te binding site number 2 of Recombinantly Expressed Latent Aurone Synthase (Polyphenol Oxidase) Co-Crystallized with Hexatungstotellurate(VI) and Soaked in H2O2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Te608 b:0.8 occ:1.00 TE1 A:TEW608 0.0 0.8 1.0 O11 A:TEW608 1.9 0.6 1.0 O1 A:TEW608 1.9 1.0 1.0 O12 A:TEW608 1.9 0.9 1.0 O2 A:TEW608 1.9 0.8 1.0 O13 A:TEW608 1.9 0.6 1.0 O7 A:TEW608 1.9 0.9 1.0 W6 A:TEW608 3.3 0.8 1.0 W2 A:TEW608 3.3 1.0 1.0 W5 A:TEW608 3.3 0.0 1.0 W1 A:TEW608 3.3 0.8 1.0 W4 A:TEW608 3.3 0.9 1.0 W3 A:TEW608 3.3 0.8 1.0 O3 A:TEW608 3.4 0.2 1.0 O20 A:TEW608 3.4 0.4 1.0 O14 A:TEW608 3.4 0.8 1.0 O10 A:TEW608 3.4 0.5 1.0 O17 A:TEW608 3.4 0.8 1.0 O4 A:TEW608 3.4 0.8 1.0 HZ3 A:LYS52 4.4 0.9 1.0 O23 A:TEW608 4.5 0.5 1.0 O8 A:TEW608 4.5 0.6 1.0 O6 A:TEW608 4.5 0.7 1.0 O22 A:TEW608 4.5 0.3 1.0 O21 A:TEW608 4.5 0.5 1.0 O5 A:TEW608 4.5 0.6 1.0 O19 A:TEW608 4.5 0.6 1.0 O16 A:TEW608 4.5 0.8 1.0 O31 A:TEW608 4.5 0.2 1.0 O9 A:TEW608 4.5 1.0 1.0 O18 A:TEW608 4.6 0.1 1.0 O15 A:TEW608 4.6 0.4 1.0 HZ2 A:LYS52 5.0 0.9 1.0

Tellurium binding site 3 out of 3 in the Recombinantly Expressed Latent Aurone Synthase (Polyphenol Oxidase) Co-Crystallized with Hexatungstotellurate(VI) and Soaked in H2O2


Mono view


Stereo pair view

A full contact list of Tellurium with other atoms in the Te binding site number 3 of Recombinantly Expressed Latent Aurone Synthase (Polyphenol Oxidase) Co-Crystallized with Hexatungstotellurate(VI) and Soaked in H2O2 within 5.0Å range: probe atom residue distance (Å) B Occ B:Te611 b:61.2 occ:0.58 W A:W609 3.0 65.2 0.6 W B:W612 3.0 0.4 0.6 HZ3 B:LYS352 3.3 0.2 1.0 W B:W607 3.4 95.5 0.6 HZ1 B:LYS352 3.4 0.2 1.0 W B:W608 3.6 0.8 0.6 W B:W606 3.7 65.0 0.6 W B:W609 3.8 0.6 0.6 NZ B:LYS352 3.8 86.0 1.0 HE2 B:LYS352 3.9 0.2 1.0 W B:W610 4.0 0.7 0.6 CE B:LYS352 4.4 90.2 1.0 HZ2 B:LYS352 4.5 0.2 1.0 HD3 B:LYS159 4.7 59.4 1.0 O A:HOH1107 4.7 70.8 1.0

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