Magnesium in PDB 4prq: Crystal Structure of Hen Egg-White Lysozyme in Complex with SCLX4 at 1.72 A Resolution

All present enzymatic activity of Crystal Structure of Hen Egg-White Lysozyme in Complex with SCLX4 at 1.72 A Resolution:
3.2.1.17;

The structure of Crystal Structure of Hen Egg-White Lysozyme in Complex with SCLX4 at 1.72 A Resolution, PDB code: 4prq was solved by R.E.Mcgovern, A.A.Mccarthy, P.B.Crowley, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.47 / 1.72
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	44.010, 81.749, 72.100, 90.00, 105.37, 90.00
R / Rfree (%)	18.6 / 22.2

The binding sites of Magnesium atom in the Crystal Structure of Hen Egg-White Lysozyme in Complex with SCLX4 at 1.72 A Resolution (pdb code 4prq). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the Crystal Structure of Hen Egg-White Lysozyme in Complex with SCLX4 at 1.72 A Resolution, PDB code: 4prq:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in the Crystal Structure of Hen Egg-White Lysozyme in Complex with SCLX4 at 1.72 A Resolution


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of Hen Egg-White Lysozyme in Complex with SCLX4 at 1.72 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg207 b:50.0 occ:1.00 O B:HOH394 2.5 41.2 1.0 O2 B:PG4204 2.8 59.1 1.0 O3 B:T3Y203 2.9 32.4 0.7 O3 B:PG4204 3.2 61.6 1.0 O4 B:PG4204 3.4 60.5 1.0 C3 B:PG4204 3.6 59.6 1.0 C4 B:PG4204 3.8 59.8 1.0 C2 B:PG4204 3.9 57.0 1.0 C5 B:PG4204 4.0 61.2 1.0 O1 B:PG4204 4.1 56.3 1.0 O B:HOH389 4.1 33.4 1.0 C6 B:PG4204 4.2 60.3 1.0 S1 B:T3Y203 4.2 31.5 0.7 C1 B:PG4204 4.4 57.8 1.0 O5 B:PG4204 4.4 58.7 1.0 C7 B:PG4204 4.5 59.1 1.0 O B:HOH390 4.6 35.8 1.0 O2 B:T3Y203 4.7 33.2 0.7 C8 B:PG4204 4.7 59.7 1.0 CA B:GLY102 4.9 46.6 1.0 C1 B:T3Y203 5.0 30.0 0.7

Magnesium binding site 2 out of 3 in the Crystal Structure of Hen Egg-White Lysozyme in Complex with SCLX4 at 1.72 A Resolution


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of Hen Egg-White Lysozyme in Complex with SCLX4 at 1.72 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg201 b:17.5 occ:1.00 O1 B:PG6206 2.8 51.7 1.0 O2 B:T3Y202 2.8 19.5 1.0 O4 B:PG6206 2.9 40.2 1.0 O5 B:PG6206 2.9 32.5 1.0 O3 B:PG6206 3.0 43.5 1.0 O3 B:T3Y202 3.0 19.4 1.0 C11 B:PG6206 3.1 30.7 1.0 C5 B:PG6206 3.2 44.4 1.0 C6 B:PG6206 3.2 40.4 1.0 C12 B:PG6206 3.4 32.5 1.0 C8 B:PG6206 3.5 34.8 1.0 C7 B:PG6206 3.5 39.6 1.0 S1 B:T3Y202 3.5 18.5 1.0 O2 B:PG6206 3.5 48.0 1.0 O6 B:PG6206 3.6 33.1 1.0 C2 B:PG6206 3.6 50.5 1.0 C10 B:PG6206 3.6 30.4 1.0 C9 B:PG6206 3.7 32.5 1.0 C4 B:PG6206 3.9 48.4 1.0 C1 B:PG6206 4.0 51.4 1.0 C3 B:PG6206 4.1 49.4 1.0 C1 B:T3Y202 4.4 17.2 1.0 O1 B:T3Y202 4.7 19.9 1.0

Magnesium binding site 3 out of 3 in the Crystal Structure of Hen Egg-White Lysozyme in Complex with SCLX4 at 1.72 A Resolution


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Crystal Structure of Hen Egg-White Lysozyme in Complex with SCLX4 at 1.72 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg201 b:18.6 occ:1.00 O10 A:P6G204 2.7 42.0 1.0 O2 A:T3Y202 2.9 21.6 1.0 O1 A:P6G204 3.1 50.0 1.0 C18 A:P6G204 3.2 29.5 1.0 O16 A:P6G204 3.2 30.6 1.0 O3 A:T3Y202 3.2 21.5 1.0 O4 A:P6G204 3.2 50.5 1.0 O13 A:P6G204 3.3 33.4 1.0 C12 A:P6G204 3.4 34.4 1.0 C14 A:P6G204 3.4 31.6 1.0 C11 A:P6G204 3.5 38.1 1.0 S1 A:T3Y202 3.6 20.4 1.0 C3 A:P6G204 3.6 49.8 1.0 C17 A:P6G204 3.6 29.8 1.0 C2 A:P6G204 3.7 51.1 1.0 C15 A:P6G204 3.7 31.0 1.0 C5 A:P6G204 3.8 49.1 1.0 C9 A:P6G204 3.8 44.3 1.0 C8 A:P6G204 4.0 47.1 1.0 O7 A:P6G204 4.2 51.0 1.0 C1 A:T3Y202 4.5 19.0 1.0 C6 A:P6G204 4.5 48.9 1.0 O1 A:T3Y202 4.8 21.6 1.0

R.E.Mcgovern, A.A.Mccarthy, P.B.Crowley. Protein Assembly Mediated By Sulfonatocalix[4]Arene. Chem.Commun.(Camb.) V. 50 10412 2014.
ISSN: ISSN 1359-7345
PubMed: 25068633
DOI: 10.1039/C4CC04897K