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

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

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

Protein crystallography data

The structure of Hen Egg-White Lysozyme (Hewl) Complexed with Methyl-Functionalised Anderson-Evans Polyoxometalate, PDB code: 8bqp 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) 38.19 / 1.24
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 76.388, 76.388, 36.981, 90, 90, 90
R / Rfree (%) 14.4 / 16.7

Other elements in 8bqp:

The structure of Hen Egg-White Lysozyme (Hewl) Complexed with Methyl-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 Methyl-Functionalised Anderson-Evans Polyoxometalate (pdb code 8bqp). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Hen Egg-White Lysozyme (Hewl) Complexed with Methyl-Functionalised Anderson-Evans Polyoxometalate, PDB code: 8bqp:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 8bqp

Go back to Chlorine Binding Sites List in 8bqp
Chlorine binding site 1 out of 3 in the Hen Egg-White Lysozyme (Hewl) Complexed with Methyl-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 Methyl-Functionalised Anderson-Evans Polyoxometalate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl203

b:20.2
occ:1.00
 HH A:TYR23 2.3 15.7 1.0
OH A:TYR23 3.0 13.1 1.0
O A:HOH400 3.1 39.3 1.0
HE2 A:TYR23 3.2 15.3 1.0
O A:HOH365 3.2 19.0 1.0
HA3 A:GLY104 3.5 16.4 1.0
CZ A:TYR23 3.7 12.1 1.0
CE2 A:TYR23 3.7 12.8 1.0
CA A:GLY104 4.3 13.7 1.0
HA2 A:GLY104 4.3 16.4 1.0
O A:ARG21 4.5 16.2 0.9
H A:MET105 4.8 14.4 1.0
CE1 A:TYR23 4.8 12.5 1.0
CD2 A:TYR23 4.9 13.0 1.0
N A:GLY104 4.9 14.5 1.0
HB3 A:ARG21 5.0 23.4 0.9

Chlorine binding site 2 out of 3 in 8bqp

Go back to Chlorine Binding Sites List in 8bqp
Chlorine binding site 2 out of 3 in the Hen Egg-White Lysozyme (Hewl) Complexed with Methyl-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 Methyl-Functionalised Anderson-Evans Polyoxometalate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl204

b:21.9
occ:0.68
 CL A:CL204 0.0 21.9 0.7
CL A:CL204 1.5 27.7 0.3
O A:HOH308 3.2 39.7 1.0
OE2 A:GLU7 4.5 20.6 1.0
O A:HOH302 4.7 28.0 1.0

Chlorine binding site 3 out of 3 in 8bqp

Go back to Chlorine Binding Sites List in 8bqp
Chlorine binding site 3 out of 3 in the Hen Egg-White Lysozyme (Hewl) Complexed with Methyl-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 Methyl-Functionalised Anderson-Evans Polyoxometalate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl204

b:27.7
occ:0.32
 CL A:CL204 0.0 27.7 0.3
CL A:CL204 1.5 21.9 0.7
O A:HOH308 3.7 39.7 1.0
O A:HOH302 4.3 28.0 1.0
OE2 A:GLU7 4.9 20.6 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 07:21:46 2024

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