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

Enzymatic activity of 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;

Protein crystallography data

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

Other elements in 8bqt:

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
Manganese (Mn) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine 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 Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Hen Egg-White Lysozyme (Hewl) Complexed with Two Methyl-Functionalised Anderson-Evans Polyoxometalates, PDB code: 8bqt:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 8bqt

Go back to Chlorine Binding Sites List in 8bqt
Chlorine binding site 1 out of 4 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 Chlorine with other atoms in the Cl 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:Cl203

b:54.6
occ:1.00
 NZ A:LYS116 3.2 18.8 1.0
NE A:ARG112 3.5 26.8 0.4
CE A:LYS116 3.8 18.3 1.0
NH2 A:ARG112 3.9 28.0 0.5
CZ A:ARG112 4.1 25.7 0.5
CD A:LYS116 4.2 17.6 1.0
CG A:ARG112 4.3 23.3 1.0
CD A:ARG112 4.4 24.2 0.7

Chlorine binding site 2 out of 4 in 8bqt

Go back to Chlorine Binding Sites List in 8bqt
Chlorine binding site 2 out of 4 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 Chlorine with other atoms in the Cl 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:Cl204

b:30.8
occ:0.56
 CL A:CL204 0.0 30.8 0.6
CL A:CL204 1.9 37.0 0.4
O A:HOH380 3.3 30.5 1.0
O A:HOH382 3.3 34.9 1.0
O A:HOH381 4.1 46.3 1.0

Chlorine binding site 3 out of 4 in 8bqt

Go back to Chlorine Binding Sites List in 8bqt
Chlorine binding site 3 out of 4 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 Chlorine with other atoms in the Cl binding site number 3 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:Cl204

b:37.0
occ:0.44
 CL A:CL204 0.0 37.0 0.4
CL A:CL204 1.9 30.8 0.6
O A:HOH382 4.2 34.9 1.0
O A:HOH380 4.4 30.5 1.0
O A:HOH381 4.5 46.3 1.0

Chlorine binding site 4 out of 4 in 8bqt

Go back to Chlorine Binding Sites List in 8bqt
Chlorine binding site 4 out of 4 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 Chlorine with other atoms in the Cl binding site number 4 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:Cl205

b:58.1
occ:0.50
 O A:HOH346 3.3 28.3 1.0
CB A:ARG45 4.4 27.4 1.0
O A:HOH371 4.4 31.6 0.5
CG A:ARG45 4.9 34.0 1.0

Reference:

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
Page generated: Sun Jul 13 09:42:17 2025

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