Magnesium in PDB 6iej: The C2 Domain of Cytosolic Phospholipase A2 Alpha Bound to Phosphatidylcholine

All present enzymatic activity of The C2 Domain of Cytosolic Phospholipase A2 Alpha Bound to Phosphatidylcholine:
3.1.1.4;

The structure of The C2 Domain of Cytosolic Phospholipase A2 Alpha Bound to Phosphatidylcholine, PDB code: 6iej was solved by Y.Hirano, Y.G.Gao, D.J.Stephenson, N.T.Vu, L.Malinina, C.E.Chalfant, D.J.Patel, R.E.Brown, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.88 / 2.21
Space group	C 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	108.294, 187.388, 68.754, 90.00, 90.00, 90.00
R / Rfree (%)	22.4 / 24.9

The structure of The C2 Domain of Cytosolic Phospholipase A2 Alpha Bound to Phosphatidylcholine also contains other interesting chemical elements:

Calcium

(Ca)

9 atoms

The binding sites of Magnesium atom in the The C2 Domain of Cytosolic Phospholipase A2 Alpha Bound to Phosphatidylcholine (pdb code 6iej). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the The C2 Domain of Cytosolic Phospholipase A2 Alpha Bound to Phosphatidylcholine, PDB code: 6iej:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the The C2 Domain of Cytosolic Phospholipase A2 Alpha Bound to Phosphatidylcholine


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of The C2 Domain of Cytosolic Phospholipase A2 Alpha Bound to Phosphatidylcholine within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg204 b:33.8 occ:1.00 O A:ASN68 2.3 38.1 1.0 OD1 A:ASP66 2.5 45.7 1.0 OD2 B:ASP66 2.5 40.2 1.0 O B:ASN68 2.5 40.1 1.0 OD1 B:ASP66 2.6 47.5 1.0 OD2 A:ASP66 2.6 37.8 1.0 CG A:ASP66 2.9 46.7 1.0 CG B:ASP66 2.9 47.5 1.0 C A:ASN68 3.2 37.7 1.0 C B:ASN68 3.5 41.0 1.0 CB A:ASN68 4.0 39.8 1.0 CA A:ASN68 4.1 40.1 1.0 N A:PRO69 4.1 39.0 1.0 CA A:PRO69 4.2 39.1 1.0 CB B:ASN68 4.2 41.0 1.0 CA B:ASN68 4.3 41.8 1.0 N B:PRO69 4.3 41.9 1.0 N A:ASN68 4.3 43.3 1.0 CA B:PRO69 4.3 40.9 1.0 CB B:ASP66 4.4 41.0 1.0 CB A:ASP66 4.4 36.8 1.0 N B:ASN68 4.5 44.9 1.0 C A:PRO69 4.8 43.4 1.0 ND2 A:ASN68 4.8 43.7 1.0 ND2 B:ASN68 4.9 44.8 1.0 N A:VAL70 5.0 46.0 1.0 C B:PRO69 5.0 44.7 1.0

Magnesium binding site 2 out of 2 in the The C2 Domain of Cytosolic Phospholipase A2 Alpha Bound to Phosphatidylcholine


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of The C2 Domain of Cytosolic Phospholipase A2 Alpha Bound to Phosphatidylcholine within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg204 b:36.1 occ:0.50 O C:ASN68 2.4 39.0 1.0 OD2 C:ASP66 2.5 40.9 1.0 OD1 C:ASP66 2.5 47.0 1.0 CG C:ASP66 2.8 47.5 1.0 C C:ASN68 3.4 37.1 1.0 CB C:ASN68 4.1 41.7 1.0 CA C:ASN68 4.1 41.4 1.0 N C:PRO69 4.2 37.3 1.0 CA C:PRO69 4.3 35.8 1.0 CB C:ASP66 4.3 41.7 1.0 N C:ASN68 4.4 44.2 1.0 ND2 C:ASN68 4.9 47.5 1.0 C C:PRO69 4.9 44.7 1.0

Y.Hirano, Y.G.Gao, D.J.Stephenson, N.T.Vu, L.Malinina, D.K.Simanshu, C.E.Chalfant, D.J.Patel, R.E.Brown. Structural Basis of Phosphatidylcholine Recognition By the C2-Domain of Cytosolic Phospholipase A2ALPHA. Elife V. 8 2019.
ISSN: ESSN 2050-084X
PubMed: 31050338
DOI: 10.7554/ELIFE.44760