Magnesium in PDB 8vit: Crystal Structure of the N-Terminal Domain of Fatty Acid Kinase A (Faka) From Staphylococcus Aureus (Mg and Adp)

The structure of Crystal Structure of the N-Terminal Domain of Fatty Acid Kinase A (Faka) From Staphylococcus Aureus (Mg and Adp), PDB code: 8vit was solved by S.Lovell, M.M.Kashipathy, K.P.Battaile, J.L.Bose, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.32 / 1.25
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	42.936, 57.094, 81.029, 90, 90, 90
R / Rfree (%)	13.8 / 16.1

The binding sites of Magnesium atom in the Crystal Structure of the N-Terminal Domain of Fatty Acid Kinase A (Faka) From Staphylococcus Aureus (Mg and Adp) (pdb code 8vit). 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 the N-Terminal Domain of Fatty Acid Kinase A (Faka) From Staphylococcus Aureus (Mg and Adp), PDB code: 8vit:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of the N-Terminal Domain of Fatty Acid Kinase A (Faka) From Staphylococcus Aureus (Mg and Adp)


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 the N-Terminal Domain of Fatty Acid Kinase A (Faka) From Staphylococcus Aureus (Mg and Adp) within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg302 b:15.4 occ:1.00 OD1 A:ASP40 2.0 15.6 1.0 OD1 A:ASP38 2.0 16.4 1.0 O2A A:ADP301 2.1 14.0 1.0 OD1 A:ASN32 2.1 15.4 1.0 O3B A:ADP301 2.1 15.1 1.0 O A:HOH460 2.1 14.2 1.0 CG A:ASP40 3.0 16.2 1.0 CG A:ASP38 3.1 17.5 1.0 CG A:ASN32 3.1 15.4 1.0 PA A:ADP301 3.2 14.4 1.0 PB A:ADP301 3.2 15.4 1.0 O3A A:ADP301 3.4 14.6 1.0 OD2 A:ASP40 3.4 17.1 1.0 OD2 A:ASP38 3.5 18.7 1.0 ND2 A:ASN32 3.5 15.0 1.0 MG A:MG303 3.5 17.1 1.0 O2B A:ADP301 3.8 16.6 1.0 O A:VAL36 4.0 15.9 1.0 OG1 A:THR41 4.1 14.3 1.0 O1A A:ADP301 4.1 15.1 1.0 N A:ASP40 4.1 18.2 1.0 N A:THR41 4.2 15.3 1.0 CB A:ASP40 4.3 16.9 1.0 CB A:ASP38 4.4 17.8 1.0 O5' A:ADP301 4.4 13.4 1.0 N A:ASP38 4.4 16.6 1.0 CB A:ASN32 4.5 15.9 1.0 C A:ASP40 4.5 15.8 1.0 CA A:ASP40 4.5 16.8 1.0 O1B A:ADP301 4.5 15.7 1.0 C A:ASP38 4.6 19.4 1.0 N A:GLY39 4.6 20.1 1.0 C5' A:ADP301 4.6 13.7 1.0 CA A:ASP38 4.7 17.9 1.0 O A:HOH443 4.7 16.2 1.0 ND2 A:ASN44 4.7 16.6 1.0 O A:HOH502 4.8 18.3 1.0 CA A:THR41 4.8 14.4 1.0 CG2 A:VAL36 5.0 19.4 0.5

Magnesium binding site 2 out of 2 in the Crystal Structure of the N-Terminal Domain of Fatty Acid Kinase A (Faka) From Staphylococcus Aureus (Mg and Adp)


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 the N-Terminal Domain of Fatty Acid Kinase A (Faka) From Staphylococcus Aureus (Mg and Adp) within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg303 b:17.1 occ:1.00 OD2 A:ASP40 2.0 17.1 1.0 OD2 A:ASP38 2.1 18.7 1.0 O A:HOH443 2.1 16.2 1.0 O A:HOH502 2.1 18.3 1.0 O3B A:ADP301 2.2 15.1 1.0 CG A:ASP40 3.1 16.2 1.0 CG A:ASP38 3.1 17.5 1.0 PB A:ADP301 3.3 15.4 1.0 OD1 A:ASP40 3.4 15.6 1.0 OD1 A:ASP38 3.4 16.4 1.0 O1B A:ADP301 3.5 15.7 1.0 MG A:MG302 3.5 15.4 1.0 O A:HOH470 4.0 33.1 1.0 O A:HOH511 4.0 32.8 1.0 O2B A:ADP301 4.1 16.6 1.0 ND2 A:ASN44 4.2 16.6 1.0 CB A:ASP38 4.4 17.8 1.0 CB A:ASP40 4.4 16.9 1.0 O3A A:ADP301 4.6 14.6 1.0 O A:HOH460 4.6 14.2 1.0 O A:HOH446 4.7 38.0 1.0 O A:HOH412 4.8 34.5 1.0 O2A A:ADP301 4.8 14.0 1.0

M.J.Myers, Z.Xu, B.J.Ryan, Z.R.Demars, M.J.Ridder, D.K.Johnson, C.N.Krute, T.S.Flynn, M.M.Kashipathy, K.P.Battaile, N.Schnicker, S.Lovell, B.D.Freudenthal, J.L.Bose. Molecular Insights Into the Structure and Function of the Staphylococcus Aureus Fatty Acid Kinase J.Biol.Chem. 2024.
ISSN: ESSN 1083-351X
DOI: 10.1016/J.JBC.2024.107920