Manganese in PDB 8vip: Crystal Structure of the N-Terminal Domain of Fatty Acid Kinase A (Faka) From Staphylococcus Aureus (Mn and Amp-Pnp)

The structure of Crystal Structure of the N-Terminal Domain of Fatty Acid Kinase A (Faka) From Staphylococcus Aureus (Mn and Amp-Pnp), PDB code: 8vip 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)	46.76 / 1.77
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	42.812, 57.025, 81.696, 90, 90, 90
R / Rfree (%)	14.8 / 18.6

The binding sites of Manganese atom in the Crystal Structure of the N-Terminal Domain of Fatty Acid Kinase A (Faka) From Staphylococcus Aureus (Mn and Amp-Pnp) (pdb code 8vip). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the Crystal Structure of the N-Terminal Domain of Fatty Acid Kinase A (Faka) From Staphylococcus Aureus (Mn and Amp-Pnp), PDB code: 8vip:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the Crystal Structure of the N-Terminal Domain of Fatty Acid Kinase A (Faka) From Staphylococcus Aureus (Mn and Amp-Pnp)


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Crystal Structure of the N-Terminal Domain of Fatty Acid Kinase A (Faka) From Staphylococcus Aureus (Mn and Amp-Pnp) within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn302 b:16.9 occ:1.00 OD1 A:ASP40 2.1 20.2 1.0 O1A A:ANP301 2.2 15.4 1.0 OD1 A:ASP38 2.2 15.1 1.0 O A:HOH406 2.2 19.7 1.0 O2B A:ANP301 2.2 20.4 1.0 OD1 A:ASN32 2.2 20.2 1.0 CG A:ASP38 3.1 20.7 1.0 CG A:ASP40 3.1 21.4 1.0 CG A:ASN32 3.2 17.2 1.0 PA A:ANP301 3.3 18.8 1.0 PB A:ANP301 3.4 22.7 1.0 ND2 A:ASN32 3.5 18.4 1.0 OD2 A:ASP38 3.5 22.5 1.0 O3A A:ANP301 3.6 17.4 1.0 OD2 A:ASP40 3.6 21.0 1.0 MN A:MN303 3.6 23.4 1.0 OG1 A:THR41 4.0 16.2 1.0 O A:VAL36 4.1 18.9 1.0 N A:ASP40 4.1 21.2 1.0 O1G A:ANP301 4.2 32.0 1.0 N A:THR41 4.2 17.9 1.0 O2A A:ANP301 4.3 15.7 1.0 CB A:ASP40 4.4 21.0 1.0 C A:ASP40 4.5 20.9 1.0 O5' A:ANP301 4.5 18.3 1.0 CB A:ASP38 4.5 20.7 1.0 O1B A:ANP301 4.5 30.1 1.0 CA A:ASP40 4.5 22.2 1.0 CB A:ASN32 4.6 17.4 1.0 N3B A:ANP301 4.6 26.0 1.0 O A:HOH407 4.6 27.4 1.0 N A:GLY39 4.6 20.4 1.0 O2G A:ANP301 4.6 35.1 1.0 N A:ASP38 4.6 17.4 1.0 PG A:ANP301 4.7 39.4 1.0 C A:ASP38 4.7 19.0 1.0 ND2 A:ASN44 4.7 17.8 1.0 C5' A:ANP301 4.7 15.0 1.0 CA A:THR41 4.8 17.0 1.0 CA A:ASP38 4.8 17.5 1.0 O A:HOH441 4.9 24.9 1.0

Manganese binding site 2 out of 2 in the Crystal Structure of the N-Terminal Domain of Fatty Acid Kinase A (Faka) From Staphylococcus Aureus (Mn and Amp-Pnp)


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Crystal Structure of the N-Terminal Domain of Fatty Acid Kinase A (Faka) From Staphylococcus Aureus (Mn and Amp-Pnp) within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn303 b:23.4 occ:1.00 O A:HOH407 1.7 27.4 1.0 OD2 A:ASP40 2.2 21.0 1.0 OD2 A:ASP38 2.2 22.5 1.0 O A:HOH441 2.3 24.9 1.0 O A:HOH507 2.3 25.9 1.0 O2B A:ANP301 2.3 20.4 1.0 CG A:ASP40 3.1 21.4 1.0 CG A:ASP38 3.2 20.7 1.0 PB A:ANP301 3.4 22.7 1.0 OD1 A:ASP40 3.4 20.2 1.0 O1B A:ANP301 3.6 30.1 1.0 O2G A:ANP301 3.6 35.1 1.0 OD1 A:ASP38 3.6 15.1 1.0 MN A:MN302 3.6 16.9 1.0 O A:HOH401 3.7 35.5 1.0 O A:HOH492 4.1 37.8 1.0 N3B A:ANP301 4.2 26.0 1.0 ND2 A:ASN44 4.3 17.8 1.0 CB A:ASP38 4.4 20.7 1.0 PG A:ANP301 4.5 39.4 1.0 CB A:ASP40 4.5 21.0 1.0 O3A A:ANP301 4.7 17.4 1.0 O A:HOH406 4.8 19.7 1.0 O1A A:ANP301 4.9 15.4 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