Manganese in PDB 8bqt: Hen Egg-White Lysozyme (Hewl) Complexed with Two Methyl-Functionalised Anderson-Evans Polyoxometalates

All present enzymatic activity of Hen Egg-White Lysozyme (Hewl) Complexed with Two Methyl-Functionalised Anderson-Evans Polyoxometalates:
3.2.1.17;

The structure of Hen Egg-White Lysozyme (Hewl) Complexed with Two Methyl-Functionalised Anderson-Evans Polyoxometalates, PDB code: 8bqt was solved by S.Lentink, D.E.Salazar Marcano, M.A.Moussawi, L.Vandebroek, L.Vanmeervelt, T.N.Parac-Vogt, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.97 / 1.47
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	75.94, 75.94, 36.756, 90, 90, 90
R / Rfree (%)	17.1 / 20.2

The structure of Hen Egg-White Lysozyme (Hewl) Complexed with Two Methyl-Functionalised Anderson-Evans Polyoxometalates also contains other interesting chemical elements:

Molybdenum	(Mo)	12 atoms
Chlorine	(Cl)	4 atoms

The binding sites of Manganese atom in the Hen Egg-White Lysozyme (Hewl) Complexed with Two Methyl-Functionalised Anderson-Evans Polyoxometalates (pdb code 8bqt). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the Hen Egg-White Lysozyme (Hewl) Complexed with Two Methyl-Functionalised Anderson-Evans Polyoxometalates, PDB code: 8bqt:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the Hen Egg-White Lysozyme (Hewl) Complexed with Two Methyl-Functionalised Anderson-Evans Polyoxometalates


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Hen Egg-White Lysozyme (Hewl) Complexed with Two Methyl-Functionalised Anderson-Evans Polyoxometalates within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn201 b:13.3 occ:0.69 MN1 A:U7U201 0.0 13.3 0.7 O1 A:U7U201 1.9 15.2 0.7 O16 A:U7U201 2.0 13.6 0.7 O15 A:U7U201 2.0 16.3 0.7 O3 A:U7U201 2.0 13.0 0.7 O4 A:U7U201 2.0 16.4 0.7 O2 A:U7U201 2.0 15.4 0.7 C2 A:U7U201 2.9 13.6 0.7 C4 A:U7U201 2.9 14.9 0.7 C7 A:U7U201 2.9 15.4 0.7 C8 A:U7U201 3.0 16.6 0.7 C5 A:U7U201 3.0 14.0 0.7 C3 A:U7U201 3.0 10.6 0.7 C1 A:U7U201 3.0 15.2 0.7 C6 A:U7U201 3.0 15.1 0.7 O20 A:U7U201 3.3 17.9 0.7 O6 A:U7U201 3.3 14.3 0.7 O18 A:U7U201 3.3 14.0 0.7 O8 A:U7U201 3.3 15.0 0.7 MO3 A:U7U201 3.3 15.2 0.7 MO2 A:U7U201 3.3 16.1 0.7 MO4 A:U7U201 3.3 15.2 0.7 MO6 A:U7U201 3.3 16.5 0.7 MO1 A:U7U201 3.3 14.6 0.7 MO5 A:U7U201 3.3 16.2 0.7 O10 A:U7U201 3.4 19.5 0.7 O9 A:U7U201 3.4 13.8 0.7 C02 A:U7U201 4.5 15.9 0.7 C01 A:U7U201 4.5 16.3 0.7 O22 A:U7U201 4.5 17.1 0.7 O14 A:U7U201 4.5 16.3 0.7 O23 A:U7U201 4.5 16.7 0.7 O13 A:U7U201 4.5 18.1 0.7 O11 A:U7U201 4.6 15.3 0.7 O7 A:U7U201 4.6 16.9 0.7 O21 A:U7U201 4.6 17.2 0.7 O24 A:U7U201 4.6 19.2 0.7 O12 A:U7U201 4.6 13.0 0.7 O5 A:U7U201 4.6 16.3 0.7 O19 A:U7U201 4.6 15.3 0.7 O17 A:U7U201 4.6 17.5 0.7

Manganese binding site 2 out of 2 in the Hen Egg-White Lysozyme (Hewl) Complexed with Two Methyl-Functionalised Anderson-Evans Polyoxometalates


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Hen Egg-White Lysozyme (Hewl) Complexed with Two Methyl-Functionalised Anderson-Evans Polyoxometalates within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn202 b:29.6 occ:0.54 MN1 A:U7U202 0.0 29.6 0.5 O3 A:U7U202 1.9 33.6 0.5 O1 A:U7U202 1.9 34.0 0.5 O15 A:U7U202 1.9 30.5 0.5 O16 A:U7U202 2.0 25.8 0.5 O2 A:U7U202 2.0 25.4 0.5 O4 A:U7U202 2.0 36.2 0.5 C2 A:U7U202 2.9 32.7 0.5 C7 A:U7U202 2.9 33.3 0.5 C4 A:U7U202 2.9 28.5 0.5 C1 A:U7U202 3.0 36.4 0.5 C5 A:U7U202 3.0 23.9 0.5 C6 A:U7U202 3.0 29.4 0.5 C8 A:U7U202 3.0 29.5 0.5 C3 A:U7U202 3.0 34.6 0.5 O6 A:U7U202 3.2 23.8 0.5 MO5 A:U7U202 3.3 49.2 0.5 O20 A:U7U202 3.3 39.5 0.5 MO1 A:U7U202 3.3 33.6 0.5 O9 A:U7U202 3.3 30.4 0.5 MO4 A:U7U202 3.3 30.3 0.5 O10 A:U7U202 3.3 16.0 0.5 MO6 A:U7U202 3.3 30.6 0.5 O18 A:U7U202 3.4 32.5 0.5 MO2 A:U7U202 3.4 39.7 0.5 MO3 A:U7U202 3.4 38.0 0.5 O8 A:U7U202 3.4 34.0 0.5 O23 A:U7U202 4.5 38.3 0.5 O5 A:U7U202 4.5 31.3 0.5 O22 A:U7U202 4.5 31.5 0.5 C01 A:U7U202 4.5 32.9 0.5 C02 A:U7U202 4.5 31.6 0.5 O19 A:U7U202 4.5 42.1 0.5 O12 A:U7U202 4.5 32.3 0.5 O24 A:U7U202 4.5 28.9 0.5 O17 A:U7U202 4.6 35.7 0.5 O13 A:U7U202 4.6 38.5 0.5 O21 A:U7U202 4.6 29.2 0.5 O14 A:U7U202 4.6 31.7 0.5 O11 A:U7U202 4.6 39.5 0.5 O7 A:U7U202 4.6 44.5 0.5

S.Lentink, D.Salazar Marcano, M.A.Moussawi, L.Vandebroek, L.Van Meervelt, T.Parac-Vogt. Fine-Tuning Non-Covalent Interactions Between Hybrid Metal-Oxo Clusters and Proteins Faraday Disc.Chem.Soc 2022.
ISSN: ESSN 1364-5498
DOI: 10.1039/D2FD00161F