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: Tue Jul 30 07:21:48 2024

Last articles

Zn in 9JPJ
Zn in 9JP7
Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy