Magnesium in PDB 7snb: The X-Ray Crystal Structure of the N-Terminal Domain of Staphylococcus Aureus Fatty Acid Kinase A (Faka, Residues 1-208) in Complex with Amp and Adp to 1.105 Angstrom Resolution

The structure of The X-Ray Crystal Structure of the N-Terminal Domain of Staphylococcus Aureus Fatty Acid Kinase A (Faka, Residues 1-208) in Complex with Amp and Adp to 1.105 Angstrom Resolution, PDB code: 7snb was solved by M.G.Cuypers, C.Subramanian, C.O.Rock, S.W.White, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.36 / 1.11
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	42.726, 57.826, 81.226, 90, 90, 90
R / Rfree (%)	15.5 / 17.1

The binding sites of Magnesium atom in the The X-Ray Crystal Structure of the N-Terminal Domain of Staphylococcus Aureus Fatty Acid Kinase A (Faka, Residues 1-208) in Complex with Amp and Adp to 1.105 Angstrom Resolution (pdb code 7snb). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the The X-Ray Crystal Structure of the N-Terminal Domain of Staphylococcus Aureus Fatty Acid Kinase A (Faka, Residues 1-208) in Complex with Amp and Adp to 1.105 Angstrom Resolution, PDB code: 7snb:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in the The X-Ray Crystal Structure of the N-Terminal Domain of Staphylococcus Aureus Fatty Acid Kinase A (Faka, Residues 1-208) in Complex with Amp and Adp to 1.105 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of The X-Ray Crystal Structure of the N-Terminal Domain of Staphylococcus Aureus Fatty Acid Kinase A (Faka, Residues 1-208) in Complex with Amp and Adp to 1.105 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg305 b:8.2 occ:1.00 O1A A:ADP304 2.0 11.2 0.3 OD1 A:ASP40 2.0 9.2 1.0 O1P A:AMP303 2.0 6.0 0.8 OD1 A:ASN32 2.1 8.2 1.0 OD1 A:ASP38 2.1 9.7 1.0 O A:HOH468 2.1 10.9 1.0 O A:HOH478 2.2 29.5 1.0 O3B A:ADP304 2.2 1.7 0.3 PA A:ADP304 3.0 11.1 0.3 CG A:ASP40 3.1 10.0 1.0 O3A A:ADP304 3.1 10.9 0.3 HD21 A:ASN32 3.1 10.2 1.0 CG A:ASN32 3.1 8.9 1.0 CG A:ASP38 3.1 9.9 1.0 PB A:ADP304 3.2 10.6 0.3 P A:AMP303 3.3 6.4 0.8 H A:ASP40 3.4 13.4 1.0 ND2 A:ASN32 3.5 8.5 1.0 OD2 A:ASP38 3.5 12.0 1.0 OD2 A:ASP40 3.5 11.7 1.0 O3P A:AMP303 3.5 8.4 0.8 HG1 A:THR41 3.5 9.4 1.0 MG A:MG306 3.6 10.8 1.0 H A:ASP38 3.8 12.2 1.0 O1B A:ADP304 3.8 10.1 0.3 OG1 A:THR41 4.0 7.8 1.0 O2A A:ADP304 4.0 11.1 0.3 O A:VAL36 4.1 9.2 1.0 H A:THR41 4.1 10.2 1.0 O A:HOH639 4.1 29.5 1.0 N A:ASP40 4.2 11.1 1.0 H5'1 A:ADP304 4.2 14.1 0.3 H5'1 A:AMP303 4.2 7.6 0.8 O5' A:ADP304 4.2 11.5 0.3 H5'2 A:ADP304 4.2 14.1 0.3 N A:THR41 4.2 8.5 1.0 O2P A:AMP303 4.2 6.9 0.8 HD21 A:ASN44 4.3 11.9 1.0 HD22 A:ASN44 4.3 11.9 1.0 HD22 A:ASN32 4.3 10.2 1.0 CB A:ASP40 4.3 12.3 1.0 HA A:THR41 4.4 9.6 1.0 C5' A:ADP304 4.4 11.8 0.3 O5' A:AMP303 4.4 6.4 0.8 CB A:ASN32 4.4 11.4 1.0 CB A:ASP38 4.4 10.5 1.0 O2B A:ADP304 4.5 11.0 0.3 C A:ASP40 4.5 9.3 1.0 H A:GLY39 4.5 16.1 1.0 N A:ASP38 4.5 10.2 1.0 CA A:ASP40 4.5 10.8 1.0 H5'2 A:AMP303 4.6 7.6 0.8 HB3 A:ASN32 4.6 13.7 1.0 ND2 A:ASN44 4.6 9.9 1.0 C5' A:AMP303 4.6 6.3 0.8 HB2 A:ASN32 4.6 13.7 1.0 C A:ASP38 4.7 11.8 1.0 HD2 A:PRO35 4.7 13.0 0.5 N A:GLY39 4.7 13.4 1.0 CA A:ASP38 4.7 10.9 1.0 CA A:THR41 4.8 8.0 1.0 O A:HOH531 4.8 12.0 1.0 HD2 A:PRO35 4.8 13.8 0.6 HB3 A:ASP40 4.8 14.7 1.0 O A:HOH541 4.9 13.3 1.0 H A:VAL36 4.9 12.2 0.5 H A:VAL36 4.9 12.2 0.6 HB3 A:ASP38 5.0 12.6 1.0 HB2 A:ASP40 5.0 14.7 1.0 HB2 A:ASP38 5.0 12.6 1.0

Magnesium binding site 2 out of 4 in the The X-Ray Crystal Structure of the N-Terminal Domain of Staphylococcus Aureus Fatty Acid Kinase A (Faka, Residues 1-208) in Complex with Amp and Adp to 1.105 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of The X-Ray Crystal Structure of the N-Terminal Domain of Staphylococcus Aureus Fatty Acid Kinase A (Faka, Residues 1-208) in Complex with Amp and Adp to 1.105 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg306 b:10.8 occ:1.00 O A:HOH541 2.0 13.3 1.0 OD2 A:ASP40 2.1 11.7 1.0 O A:HOH531 2.1 12.0 1.0 O A:HOH478 2.1 29.5 1.0 OD2 A:ASP38 2.1 12.0 1.0 O3B A:ADP304 2.1 1.7 0.3 CG A:ASP40 3.1 10.0 1.0 CG A:ASP38 3.1 9.9 1.0 PB A:ADP304 3.3 10.6 0.3 HD21 A:ASN44 3.4 11.9 1.0 OD1 A:ASP40 3.5 9.2 1.0 OD1 A:ASP38 3.5 9.7 1.0 O2B A:ADP304 3.6 11.0 0.3 MG A:MG305 3.6 8.2 1.0 O A:HOH525 4.1 29.5 1.0 O A:HOH444 4.1 17.7 1.0 O1B A:ADP304 4.2 10.1 0.3 O A:HOH628 4.2 29.5 1.0 ND2 A:ASN44 4.3 9.9 1.0 HB2 A:ASP38 4.3 12.6 1.0 O A:HOH639 4.3 29.5 1.0 CB A:ASP38 4.3 10.5 1.0 O A:HOH577 4.4 36.7 1.0 CB A:ASP40 4.4 12.3 1.0 O A:HOH623 4.5 38.6 1.0 O A:HOH433 4.5 50.7 1.0 HD22 A:ASN44 4.5 11.9 1.0 O3P A:AMP303 4.5 8.4 0.8 O3A A:ADP304 4.5 10.9 0.3 HB3 A:ASP40 4.6 14.7 1.0 HB2 A:ASP40 4.7 14.7 1.0 HB3 A:ASP38 4.7 12.6 1.0 O A:HOH468 4.7 10.9 1.0 O1P A:AMP303 4.8 6.0 0.8 HA2 A:GLY81 4.8 14.2 1.0 O1A A:ADP304 4.9 11.2 0.3

Magnesium binding site 3 out of 4 in the The X-Ray Crystal Structure of the N-Terminal Domain of Staphylococcus Aureus Fatty Acid Kinase A (Faka, Residues 1-208) in Complex with Amp and Adp to 1.105 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of The X-Ray Crystal Structure of the N-Terminal Domain of Staphylococcus Aureus Fatty Acid Kinase A (Faka, Residues 1-208) in Complex with Amp and Adp to 1.105 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg307 b:41.4 occ:1.00 O A:HOH657 2.1 44.5 1.0 O A:HOH575 3.2 29.5 1.0 HB2 A:ASN170 3.2 10.5 1.0 HA A:ASN170 3.3 9.8 1.0 OD1 A:ASN170 3.5 11.4 1.0 HD22 A:ASN173 3.6 14.7 1.0 HD21 A:ASN173 3.6 14.7 1.0 CB A:ASN170 3.9 8.7 1.0 CA A:ASN170 3.9 8.1 1.0 ND2 A:ASN173 3.9 12.3 1.0 CG A:ASN170 4.1 9.7 1.0 N A:ASN170 4.3 7.3 1.0 O A:GLU169 4.4 9.7 1.0 C A:GLU169 4.5 7.5 1.0 H A:ASN170 4.7 8.8 1.0 HB3 A:ASN170 4.8 10.5 1.0 HB3 A:GLU169 4.8 12.7 1.0 O A:GLU166 4.8 8.2 1.0 HB2 A:GLU169 4.8 12.7 1.0

Magnesium binding site 4 out of 4 in the The X-Ray Crystal Structure of the N-Terminal Domain of Staphylococcus Aureus Fatty Acid Kinase A (Faka, Residues 1-208) in Complex with Amp and Adp to 1.105 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of The X-Ray Crystal Structure of the N-Terminal Domain of Staphylococcus Aureus Fatty Acid Kinase A (Faka, Residues 1-208) in Complex with Amp and Adp to 1.105 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg308 b:29.5 occ:1.00 O A:HOH457 2.0 29.5 1.0 O A:HOH678 2.0 29.5 1.0 O A:HOH573 2.2 29.5 1.0 O A:HOH665 2.2 29.5 1.0 O A:HOH422 2.2 19.8 1.0 O A:HOH567 2.4 29.5 1.0 O A:HOH652 4.0 29.5 1.0 HG22 A:ILE154 4.1 17.5 1.0 HG21 A:ILE154 4.2 17.5 1.0 ND1 A:HIS0 4.2 71.8 1.0 O A:HIS0 4.3 25.3 1.0 O A:HOH476 4.3 22.6 1.0 OD2 A:ASP152 4.3 17.4 1.0 OE1 A:GLU158 4.4 28.4 1.0 HB2 A:GLU155 4.5 16.4 1.0 CG2 A:ILE154 4.6 14.6 1.0 HE1 A:HIS0 4.6 57.9 1.0 HB A:ILE154 4.7 14.8 1.0 OE2 A:GLU158 4.7 30.6 1.0 CE1 A:HIS0 4.8 48.2 1.0 HB3 A:HIS0 4.8 48.7 1.0 O A:HOH631 5.0 29.5 1.0 CD A:GLU158 5.0 32.9 1.0

M.G.Cuypers, C.Subramanian, C.O.Rock, S.W.White. The X-Ray Crystal Structure of the N-Terminal Domain of Staphylococcus Aureus Fatty Acid Kinase A (Faka, Residues 1-208) in Complex with Amp and Adp to 1.105 Angstrom Resolution To Be Published.