Magnesium in PDB 4bwa: Pylrs Y306G, Y384F, I405R Mutant in Complex with Adenylated Norbornene

All present enzymatic activity of Pylrs Y306G, Y384F, I405R Mutant in Complex with Adenylated Norbornene:
6.1.1.26;

The structure of Pylrs Y306G, Y384F, I405R Mutant in Complex with Adenylated Norbornene, PDB code: 4bwa was solved by S.Schneider, M.Vrabel, M.J.Gattner, V.Fluegel, V.Lopez-Carillo, T.Carell, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.42 / 2.45
Space group	P 64
Cell size a, b, c (Å), α, β, γ (°)	104.800, 104.800, 72.860, 90.00, 90.00, 120.00
R / Rfree (%)	18.281 / 21.369

The binding sites of Magnesium atom in the Pylrs Y306G, Y384F, I405R Mutant in Complex with Adenylated Norbornene (pdb code 4bwa). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the Pylrs Y306G, Y384F, I405R Mutant in Complex with Adenylated Norbornene, PDB code: 4bwa:

Magnesium binding site 1 out of 1 in the Pylrs Y306G, Y384F, I405R Mutant in Complex with Adenylated Norbornene


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Pylrs Y306G, Y384F, I405R Mutant in Complex with Adenylated Norbornene within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1455 b:77.7 occ:1.00 O2A A:N0B1456 2.4 57.6 1.0 OG A:SER399 2.4 70.7 1.0 OE2 A:GLU396 2.6 59.0 1.0 O A:HOH2031 2.7 64.1 1.0 PA A:N0B1456 3.4 57.3 1.0 CD A:GLU396 3.4 66.2 1.0 CB A:SER399 3.5 63.3 1.0 OE1 A:GLU396 3.5 73.4 1.0 O1A A:N0B1456 3.8 54.0 1.0 O3A A:N0B1456 4.1 65.7 1.0 OD2 A:ASP389 4.4 81.7 1.0 O3' A:N0B1456 4.6 50.5 1.0 CA A:SER399 4.7 60.5 1.0 O5' A:N0B1456 4.8 58.5 1.0 CG A:GLU396 4.9 63.2 1.0 N A:SER399 4.9 55.6 1.0

S.Schneider, M.J.Gattner, M.Vrabel, V.Flugel, V.Lopez-Carrillo, S.Prill, T.Carell. Structural Insights Into Incorporation of Norbornene Amino Acids For Click Modification of Proteins Chem.Bio.Chem. V. 14 2114 2013.
ISSN: ISSN 1439-4227
PubMed: 24027216
DOI: 10.1002/CBIC.201300435