Magnesium in PDB 7rm7: The X-Ray Crystal Structure of the N-Terminal Domain of Staphylococcus Aureus Fatty Acid Kinase A (Faka, Residues 1-208) in Complex with Adp to 1.025 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 Adp to 1.025 Angstrom Resolution, PDB code: 7rm7 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)	34.24 / 1.03
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	42.665, 57.399, 81.195, 90, 90, 90
R / Rfree (%)	11.8 / 14.4

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 Adp to 1.025 Angstrom Resolution (pdb code 7rm7). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 5 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 Adp to 1.025 Angstrom Resolution, PDB code: 7rm7:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5;

Magnesium binding site 1 out of 5 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 Adp to 1.025 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 Adp to 1.025 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg303 b:13.6 occ:1.00 OD1 A:ASP40 2.0 8.1 1.0 OD1 A:ASP38 2.0 8.8 1.0 O2A A:ADP302 2.0 12.1 1.0 OD1 A:ASN32 2.1 7.6 1.0 O3B A:ADP302 2.1 12.8 1.0 O A:HOH495 2.1 13.7 1.0 CG A:ASP38 3.0 9.1 1.0 CG A:ASP40 3.0 8.7 1.0 CG A:ASN32 3.1 8.0 1.0 PA A:ADP302 3.2 13.6 1.0 PB A:ADP302 3.2 13.3 1.0 O3A A:ADP302 3.4 12.9 1.0 H A:ASP40 3.4 9.4 1.0 HD21 A:ASN32 3.4 8.2 1.0 OD2 A:ASP38 3.5 10.1 1.0 OD2 A:ASP40 3.5 9.8 1.0 ND2 A:ASN32 3.5 8.5 1.0 MG A:MG304 3.5 14.2 1.0 H A:ASP38 3.7 11.3 1.0 O2B A:ADP302 3.7 12.4 1.0 O A:VAL36 4.0 9.7 0.5 O A:VAL36 4.0 10.3 0.5 OG1 A:THR41 4.1 9.1 1.0 HG23 A:VAL36 4.1 12.3 0.5 O1A A:ADP302 4.1 16.1 1.0 H A:THR41 4.1 10.9 1.0 HD22 A:ASN32 4.1 8.3 1.0 N A:ASP40 4.2 8.9 1.0 N A:THR41 4.2 11.8 1.0 CB A:ASP40 4.3 10.2 1.0 HD22 A:ASN44 4.3 9.5 1.0 H5'1 A:ADP302 4.3 12.7 1.0 CB A:ASN32 4.4 8.2 1.0 CB A:ASP38 4.4 11.0 1.0 HA A:THR41 4.4 11.1 1.0 O5' A:ADP302 4.4 12.4 1.0 C A:ASP40 4.4 10.2 1.0 HD21 A:ASN44 4.5 9.3 1.0 N A:ASP38 4.5 11.6 1.0 H A:GLY39 4.5 9.9 1.0 CA A:ASP40 4.5 9.6 1.0 HB3 A:ASN32 4.5 8.3 1.0 H5'2 A:ADP302 4.6 12.3 1.0 HB2 A:ASN32 4.6 8.4 1.0 O1B A:ADP302 4.6 11.1 1.0 C A:ASP38 4.6 12.2 1.0 HG1 A:THR41 4.6 8.2 0.0 CA A:ASP38 4.6 12.3 1.0 C5' A:ADP302 4.7 12.8 1.0 N A:GLY39 4.7 9.8 1.0 HG21 A:VAL36 4.7 12.2 0.5 ND2 A:ASN44 4.7 10.0 1.0 O A:HOH472 4.7 14.2 1.0 HD2 A:PRO35 4.8 9.8 1.0 HB3 A:ASP40 4.8 9.6 1.0 CA A:THR41 4.8 11.8 1.0 O A:HOH555 4.8 15.6 1.0 CG2 A:VAL36 4.8 14.2 0.5 H A:VAL36 4.9 8.7 0.5 H A:VAL36 4.9 9.1 0.5 HB3 A:ASP38 4.9 10.7 1.0 HB2 A:ASP40 5.0 9.7 1.0 HB A:VAL36 5.0 11.6 0.5

Magnesium binding site 2 out of 5 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 Adp to 1.025 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 Adp to 1.025 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg304 b:14.2 occ:1.00 OD2 A:ASP40 2.0 9.8 1.0 O A:HOH555 2.0 15.6 1.0 OD2 A:ASP38 2.1 10.1 1.0 O A:HOH472 2.1 14.2 1.0 O3B A:ADP302 2.1 12.8 1.0 O A:HOH484 2.1 15.8 1.0 CG A:ASP38 3.0 9.1 1.0 CG A:ASP40 3.0 8.7 1.0 PB A:ADP302 3.2 13.3 1.0 HD21 A:ASN44 3.4 9.3 1.0 OD1 A:ASP40 3.4 8.1 1.0 OD1 A:ASP38 3.4 8.8 1.0 MG A:MG303 3.5 13.6 1.0 O1B A:ADP302 3.5 11.1 1.0 O2B A:ADP302 4.1 12.4 1.0 O A:HOH496 4.1 35.8 1.0 O A:HOH586 4.1 24.3 1.0 ND2 A:ASN44 4.2 10.0 1.0 O A:HOH649 4.3 50.7 1.0 CB A:ASP38 4.3 11.0 1.0 HB2 A:ASP38 4.4 10.6 1.0 CB A:ASP40 4.4 10.2 1.0 HD22 A:ASN44 4.4 9.5 1.0 O3A A:ADP302 4.5 12.9 1.0 HB3 A:ASP40 4.5 9.6 1.0 O A:HOH495 4.6 13.7 1.0 HB2 A:ASP40 4.6 9.7 1.0 HG23 A:VAL36 4.7 12.3 0.5 HB3 A:ASP38 4.7 10.7 1.0 O A:HOH460 4.7 25.7 1.0 O2A A:ADP302 4.8 12.1 1.0 HG22 A:VAL36 4.9 12.4 0.5

Magnesium binding site 3 out of 5 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 Adp to 1.025 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 Adp to 1.025 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg305 b:49.3 occ:1.00 O A:HOH682 1.8 58.1 1.0 O A:HOH480 1.9 34.0 1.0 O A:HOH721 2.0 56.3 1.0 O A:HOH438 2.3 26.0 1.0 HD1 A:HIS0 3.0 68.3 0.0 ND1 A:HIS0 3.9 97.5 1.0 HG21 A:ILE154 4.0 10.8 1.0 O A:HOH687 4.2 55.3 1.0 HG22 A:ILE154 4.2 11.0 1.0 O A:HIS0 4.2 112.7 1.0 HE1 A:HIS0 4.3 82.0 1.0 O A:HOH479 4.3 26.5 1.0 OE1 A:GLU158 4.3 20.0 1.0 OD2 A:ASP152 4.4 14.4 1.0 CE1 A:HIS0 4.5 60.7 1.0 HB2 A:GLU155 4.5 11.9 1.0 CG2 A:ILE154 4.5 11.0 1.0 HB A:ILE154 4.7 10.0 1.0 OE2 A:GLU158 4.7 26.4 1.0 HB3 A:HIS0 4.7 125.3 1.0 CD A:GLU158 4.9 17.5 1.0 O A:HOH634 5.0 65.3 1.0

Magnesium binding site 4 out of 5 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 Adp to 1.025 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 Adp to 1.025 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg306 b:38.9 occ:1.00 O A:HOH466 1.9 30.8 1.0 O A:HOH727 1.9 36.4 1.0 O A:HOH680 2.0 60.6 1.0 O A:HOH747 2.1 52.5 1.0 O A:HOH725 2.1 46.3 1.0 O A:HOH446 2.2 41.2 1.0 HD22 A:LEU108 4.0 16.8 0.4 OE2 A:GLU111 4.1 13.8 0.6 OE1 A:GLU111 4.2 19.1 0.6 O A:HOH463 4.3 29.7 1.0 O A:HOH501 4.3 38.5 1.0 CD A:GLU111 4.6 14.2 0.6 HD13 A:LEU108 4.6 12.5 0.6 CD2 A:LEU108 4.7 17.7 0.4 HD21 A:LEU108 4.8 17.2 0.4 HD23 A:LEU108 4.8 16.2 0.4 O A:HOH608 4.8 36.1 1.0 HD12 A:LEU108 4.9 12.4 0.6 OE1 A:GLU111 4.9 18.4 0.4 O A:HOH711 4.9 62.9 1.0

Magnesium binding site 5 out of 5 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 Adp to 1.025 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 5 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 Adp to 1.025 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg307 b:51.7 occ:1.00 OE1 A:GLN141 1.8 13.8 0.4 O A:HOH544 2.0 34.9 1.0 O A:HOH561 2.1 34.3 1.0 OD1 A:ASP138 2.2 14.3 1.0 O A:HOH661 2.7 51.3 1.0 CD A:GLN141 3.0 14.7 0.4 HE21 A:GLN141 3.2 18.1 0.4 CG A:ASP138 3.3 9.4 1.0 HZ3 A:LYS137 3.4 19.2 0.4 HA A:ASP138 3.4 7.7 1.0 NE2 A:GLN141 3.5 19.4 0.4 O A:HOH644 3.8 41.1 1.0 HZ1 A:LYS137 4.0 19.3 0.4 OD2 A:ASP138 4.0 9.8 1.0 NZ A:LYS137 4.1 21.1 0.4 HG2 A:LYS137 4.1 9.0 0.4 HE3 A:LYS137 4.1 20.9 0.6 CB A:ASP138 4.2 8.6 1.0 CA A:ASP138 4.2 7.7 1.0 HB3 A:ASP138 4.3 8.3 1.0 CG A:GLN141 4.3 14.0 0.4 HB2 A:GLN141 4.4 10.7 0.4 HE22 A:GLN141 4.4 17.8 0.4 HB3 A:GLN141 4.4 9.4 0.6 HZ2 A:LYS137 4.5 17.2 0.4 HG2 A:GLN141 4.5 11.8 0.6 O A:HOH512 4.5 15.9 1.0 O A:HOH749 4.5 28.8 1.0 HE2 A:LYS137 4.5 18.6 0.6 HG2 A:LYS137 4.6 9.5 0.6 CB A:GLN141 4.7 10.7 0.4 HD2 A:LYS137 4.7 11.3 0.4 HB3 A:GLN141 4.8 11.2 0.4 HG3 A:GLN141 4.8 13.3 0.4 CE A:LYS137 4.8 21.2 0.6 O A:HOH730 4.9 18.5 0.5 N A:ASP138 4.9 7.6 1.0 HG2 A:GLN141 4.9 13.7 0.4 CG A:LYS137 5.0 8.9 0.4

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 Adp to 1.025 Angstrom Resolution To Be Published.