Chlorine in PDB 8bqq: Hen Egg-White Lysozyme (Hewl) Complexed with Amine-Functionalised Anderson-Evans Polyoxometalate

Enzymatic activity of Hen Egg-White Lysozyme (Hewl) Complexed with Amine-Functionalised Anderson-Evans Polyoxometalate

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

Protein crystallography data

The structure of Hen Egg-White Lysozyme (Hewl) Complexed with Amine-Functionalised Anderson-Evans Polyoxometalate, PDB code: 8bqq 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) 38.30 / 1.57
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 76.607, 76.607, 37.098, 90, 90, 90
R / Rfree (%) 19.1 / 23.2

Other elements in 8bqq:

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

Manganese (Mn) 1 atom
Molybdenum (Mo) 6 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Hen Egg-White Lysozyme (Hewl) Complexed with Amine-Functionalised Anderson-Evans Polyoxometalate (pdb code 8bqq). 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 Amine-Functionalised Anderson-Evans Polyoxometalate, PDB code: 8bqq:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 8bqq

Go back to Chlorine Binding Sites List in 8bqq
Chlorine binding site 1 out of 4 in the Hen Egg-White Lysozyme (Hewl) Complexed with Amine-Functionalised Anderson-Evans Polyoxometalate


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 Amine-Functionalised Anderson-Evans Polyoxometalate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl202

b:24.4
occ:0.56
 O A:HOH318 3.2 23.7 0.8
ND2 A:ASN44 3.3 21.4 1.0
CB A:ALA42 3.8 18.2 1.0
OD1 A:ASN44 4.0 23.8 1.0
CG A:ASN44 4.1 20.8 1.0
O A:SER36 4.6 21.0 1.0
O A:GLU35 4.6 20.2 1.0
CA A:ALA42 4.7 17.0 1.0
CA A:SER36 4.7 16.8 1.0
C A:SER36 4.8 19.8 1.0

Chlorine binding site 2 out of 4 in 8bqq

Go back to Chlorine Binding Sites List in 8bqq
Chlorine binding site 2 out of 4 in the Hen Egg-White Lysozyme (Hewl) Complexed with Amine-Functionalised Anderson-Evans Polyoxometalate


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 Amine-Functionalised Anderson-Evans Polyoxometalate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl203

b:22.3
occ:0.26
 CL A:CL203 0.0 22.3 0.3
CL A:CL203 1.5 19.7 0.4
CL A:CL203 2.6 23.5 0.4
N A:CYS6 3.3 26.1 1.0
SG A:CYS6 3.7 27.4 1.0
CB A:CYS6 3.7 25.4 1.0
N A:ARG5 3.7 24.5 1.0
CB A:ARG5 3.9 27.2 1.0
CA A:CYS6 4.1 23.5 1.0
CA A:ARG5 4.1 23.2 1.0
C A:ARG5 4.2 23.4 1.0
O A:HOH345 4.3 34.2 1.0
C A:GLY4 4.4 23.4 1.0
CA A:GLY4 4.6 25.8 1.0
NE A:ARG5 4.7 28.6 1.0
N A:GLU7 4.8 25.4 1.0
NH2 A:ARG5 4.8 32.5 1.0
CZ A:ARG5 5.0 28.2 1.0
CG A:ARG5 5.0 25.9 1.0

Chlorine binding site 3 out of 4 in 8bqq

Go back to Chlorine Binding Sites List in 8bqq
Chlorine binding site 3 out of 4 in the Hen Egg-White Lysozyme (Hewl) Complexed with Amine-Functionalised Anderson-Evans Polyoxometalate


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 Amine-Functionalised Anderson-Evans Polyoxometalate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl203

b:19.7
occ:0.37
 CL A:CL203 0.0 19.7 0.4
CL A:CL203 1.3 23.5 0.4
CL A:CL203 1.5 22.3 0.3
N A:CYS6 3.6 26.1 1.0
CB A:CYS6 3.8 25.4 1.0
N A:ARG5 3.9 24.5 1.0
CA A:GLY4 4.0 25.8 1.0
C A:GLY4 4.1 23.4 1.0
CA A:CYS6 4.2 23.5 1.0
N A:GLU7 4.2 25.4 1.0
SG A:CYS6 4.4 27.4 1.0
C A:ARG5 4.6 23.4 1.0
CA A:ARG5 4.7 23.2 1.0
C A:CYS6 4.8 24.7 1.0
CB A:ARG5 4.9 27.2 1.0
O A:HOH345 4.9 34.2 1.0
O A:GLY4 4.9 23.2 1.0

Chlorine binding site 4 out of 4 in 8bqq

Go back to Chlorine Binding Sites List in 8bqq
Chlorine binding site 4 out of 4 in the Hen Egg-White Lysozyme (Hewl) Complexed with Amine-Functionalised Anderson-Evans Polyoxometalate


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 Amine-Functionalised Anderson-Evans Polyoxometalate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl203

b:23.5
occ:0.37
 CL A:CL203 0.0 23.5 0.4
CL A:CL203 1.3 19.7 0.4
CL A:CL203 2.6 22.3 0.3
N A:GLU7 3.2 25.4 1.0
N A:CYS6 3.5 26.1 1.0
CA A:GLY4 3.7 25.8 1.0
CB A:CYS6 3.7 25.4 1.0
C A:GLY4 3.8 23.4 1.0
CA A:CYS6 3.9 23.5 1.0
CB A:GLU7 3.9 25.9 1.0
N A:ARG5 4.0 24.5 1.0
C A:CYS6 4.0 24.7 1.0
CA A:GLU7 4.1 24.4 1.0
O A:GLY4 4.3 23.2 1.0
C A:ARG5 4.5 23.4 1.0
N A:GLY4 4.6 23.8 1.0
SG A:CYS6 4.7 27.4 1.0
CA A:ARG5 4.8 23.2 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 07:21:45 2024

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