Magnesium in PDB 2wd9: Crystal Structure of Human Acyl-Coa Synthetase Medium-Chain Family Member 2A (L64P Mutation) in Complex with Ibuprofen

All present enzymatic activity of Crystal Structure of Human Acyl-Coa Synthetase Medium-Chain Family Member 2A (L64P Mutation) in Complex with Ibuprofen:
6.2.1.2;

The structure of Crystal Structure of Human Acyl-Coa Synthetase Medium-Chain Family Member 2A (L64P Mutation) in Complex with Ibuprofen, PDB code: 2wd9 was solved by W.W.Yue, G.T.Kochan, E.S.Pilka, C.Bhatia, F.Von Delft, C.H.Arrowsmith, A.M.Edwards, J.Weigelt, C.Bountra, U.Oppermann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.92 / 2.60
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	98.320, 98.320, 381.440, 90.00, 90.00, 90.00
R / Rfree (%)	23.5 / 25.5

The binding sites of Magnesium atom in the Crystal Structure of Human Acyl-Coa Synthetase Medium-Chain Family Member 2A (L64P Mutation) in Complex with Ibuprofen (pdb code 2wd9). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structure of Human Acyl-Coa Synthetase Medium-Chain Family Member 2A (L64P Mutation) in Complex with Ibuprofen, PDB code: 2wd9:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of Human Acyl-Coa Synthetase Medium-Chain Family Member 2A (L64P Mutation) in Complex with Ibuprofen


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 Human Acyl-Coa Synthetase Medium-Chain Family Member 2A (L64P Mutation) in Complex with Ibuprofen within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg601 b:35.0 occ:1.00 O B:MET483 2.5 9.3 1.0 O B:HIS485 2.7 13.1 1.0 O B:VAL488 2.9 16.6 1.0 C B:MET483 3.2 11.8 1.0 C B:HIS485 3.3 15.0 1.0 N B:HIS485 3.8 12.2 1.0 CA B:MET483 3.8 12.1 1.0 N B:PRO486 3.9 15.1 1.0 CA B:PRO486 3.9 16.1 1.0 C B:GLU484 4.0 11.7 1.0 C B:VAL488 4.1 14.6 1.0 N B:GLU484 4.1 11.4 1.0 CA B:HIS485 4.2 14.3 1.0 O B:LEU482 4.2 16.1 1.0 C B:PRO486 4.3 15.2 1.0 O B:PRO486 4.4 14.6 1.0 CA B:GLU484 4.4 12.9 1.0 O B:GLU484 4.5 10.9 1.0 CB B:VAL488 4.5 13.5 1.0 N B:VAL488 4.5 14.6 1.0 CA B:VAL488 4.7 13.6 1.0 CB B:MET483 4.7 12.1 1.0 CE B:MET483 4.7 12.6 1.0 N B:MET483 4.8 13.6 1.0 C B:LEU482 5.0 14.7 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of Human Acyl-Coa Synthetase Medium-Chain Family Member 2A (L64P Mutation) in Complex with Ibuprofen


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 Human Acyl-Coa Synthetase Medium-Chain Family Member 2A (L64P Mutation) in Complex with Ibuprofen within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg601 b:36.1 occ:1.00 O C:VAL488 2.4 16.1 1.0 O C:MET483 2.7 10.9 1.0 O C:HIS485 3.3 14.9 1.0 C C:VAL488 3.6 15.1 1.0 C C:MET483 3.6 13.2 1.0 CE C:MET483 3.7 10.4 1.0 C C:HIS485 4.0 15.7 1.0 CA C:MET483 4.1 13.1 1.0 CA C:PRO486 4.2 16.4 1.0 CB C:VAL488 4.3 14.3 1.0 CA C:VAL488 4.4 14.1 1.0 SD C:MET483 4.4 18.1 1.0 N C:PRO486 4.4 15.9 1.0 N C:VAL488 4.5 13.6 1.0 N C:VAL489 4.6 14.4 1.0 CA C:VAL489 4.6 14.3 1.0 N C:HIS485 4.6 14.4 1.0 CB C:MET483 4.7 11.7 1.0 C C:PRO486 4.7 16.6 1.0 N C:GLU484 4.7 13.7 1.0 C C:GLU484 4.9 14.1 1.0 O C:LEU482 4.9 14.0 1.0 CG1 C:VAL488 4.9 11.4 1.0

G.Kochan, E.S.Pilka, F.V.Delft, U.Oppermann, W.W.Yue. Structural Snapshots For the Conformation- Dependent Catalysis By Human Medium-Chain Acyl- Coenzyme A Synthetase ACSM2A. J.Mol.Biol. V. 388 997 2009.
ISSN: ISSN 0022-2836
PubMed: 19345228
DOI: 10.1016/J.JMB.2009.03.064