Magnesium in PDB 7ljo: Structure of the Bacteroides Fragilis Cd-Ntase Cdnb in Complex with Adp

The structure of Structure of the Bacteroides Fragilis Cd-Ntase Cdnb in Complex with Adp, PDB code: 7ljo was solved by A.Govande, B.Lowey, J.B.Eaglesham, A.T.Whiteley, P.J.Kranzusch, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.86 / 1.76
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	63.373, 69.61, 92.396, 90, 90, 90
R / Rfree (%)	17.8 / 19.5

The binding sites of Magnesium atom in the Structure of the Bacteroides Fragilis Cd-Ntase Cdnb in Complex with Adp (pdb code 7ljo). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the Structure of the Bacteroides Fragilis Cd-Ntase Cdnb in Complex with Adp, PDB code: 7ljo:

Magnesium binding site 1 out of 1 in the Structure of the Bacteroides Fragilis Cd-Ntase Cdnb in Complex with Adp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Structure of the Bacteroides Fragilis Cd-Ntase Cdnb in Complex with Adp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg403 b:35.8 occ:1.00 OD1 A:ASP73 2.7 35.9 1.0 O2' A:ADP401 2.7 51.3 1.0 OD2 A:ASP123 2.7 32.9 1.0 O A:HOH730 2.7 42.6 1.0 O3' A:ADP401 2.9 56.1 1.0 OD2 A:ASP73 3.4 53.5 1.0 CG A:ASP73 3.4 41.3 1.0 O1A A:ADP402 3.5 71.4 1.0 CG A:ASP123 3.7 28.4 1.0 C2' A:ADP401 3.8 53.2 1.0 OD1 A:ASP71 3.8 41.7 1.0 O1B A:ADP402 3.8 46.4 1.0 C3' A:ADP401 3.9 48.3 1.0 O2B A:ADP402 3.9 81.3 1.0 CB A:ASP123 4.1 22.9 1.0 C5' A:ADP402 4.2 47.1 1.0 PB A:ADP402 4.4 89.8 1.0 O A:HOH511 4.4 40.4 1.0 CG A:ASP71 4.4 34.0 1.0 PA A:ADP402 4.5 62.1 1.0 NH2 A:ARG113 4.5 31.6 1.0 O5' A:ADP402 4.6 58.9 1.0 OD2 A:ASP71 4.7 45.1 1.0 O3A A:ADP402 4.7 67.9 1.0 C4' A:ADP401 4.7 50.9 1.0 OD1 A:ASP123 4.8 31.4 1.0 CB A:ASP73 4.9 30.9 1.0 C1' A:ADP401 5.0 39.7 1.0

A.A.Govande, B.Duncan-Lowey, J.B.Eaglesham, A.T.Whiteley, P.J.Kranzusch. Molecular Basis of Cd-Ntase Nucleotide Selection in Cbass Anti-Phage Defense Cell Rep 2021.
ISSN: ESSN 2211-1247