Magnesium in PDB 5irb: Structural Insight Into Host Cell Surface Retention of A 1.5-Mda Bacterial Ice-Binding Adhesin

The structure of Structural Insight Into Host Cell Surface Retention of A 1.5-Mda Bacterial Ice-Binding Adhesin, PDB code: 5irb was solved by S.Guo, S.Phippen, R.Campbell, P.Davies, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.79 / 2.00
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	85.601, 247.023, 84.255, 90.00, 90.00, 90.00
R / Rfree (%)	21 / 24

The structure of Structural Insight Into Host Cell Surface Retention of A 1.5-Mda Bacterial Ice-Binding Adhesin also contains other interesting chemical elements:

Calcium

(Ca)

17 atoms

The binding sites of Magnesium atom in the Structural Insight Into Host Cell Surface Retention of A 1.5-Mda Bacterial Ice-Binding Adhesin (pdb code 5irb). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Structural Insight Into Host Cell Surface Retention of A 1.5-Mda Bacterial Ice-Binding Adhesin, PDB code: 5irb:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Structural Insight Into Host Cell Surface Retention of A 1.5-Mda Bacterial Ice-Binding Adhesin


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Structural Insight Into Host Cell Surface Retention of A 1.5-Mda Bacterial Ice-Binding Adhesin within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg608 b:31.3 occ:0.50 O B:SER364 1.9 45.1 1.0 O B:HOH708 1.9 51.1 1.0 OD1 B:ASP362 2.0 46.8 1.0 O B:HOH771 2.1 38.5 1.0 O B:HOH826 2.1 51.4 1.0 O B:HOH799 2.2 40.7 1.0 CG B:ASP362 2.9 46.7 1.0 C B:SER364 3.1 43.1 1.0 OD2 B:ASP362 3.2 47.0 1.0 N B:SER364 4.0 42.2 1.0 CA B:SER364 4.0 43.4 1.0 N B:PHE365 4.1 40.1 1.0 CA B:PHE365 4.2 40.6 1.0 CB B:ASP362 4.3 44.9 1.0 CB B:SER364 4.3 48.2 1.0 O B:HOH728 4.3 69.7 1.0 CB B:PHE365 4.4 37.7 1.0 O B:HOH979 4.4 66.1 1.0 O B:HOH901 4.5 48.1 1.0 CA B:ASP362 4.7 44.3 1.0 C B:ASP362 4.8 41.6 1.0 O B:HOH896 4.8 49.3 1.0 N B:ASN363 4.9 42.0 1.0

Magnesium binding site 2 out of 2 in the Structural Insight Into Host Cell Surface Retention of A 1.5-Mda Bacterial Ice-Binding Adhesin


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Structural Insight Into Host Cell Surface Retention of A 1.5-Mda Bacterial Ice-Binding Adhesin within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg609 b:29.7 occ:0.50 O B:ILE193 1.9 54.1 1.0 O1 B:EDO610 2.0 44.1 1.0 O B:HOH783 2.0 50.2 1.0 O B:HOH774 2.1 37.9 1.0 O B:HOH805 2.1 41.1 1.0 OE2 B:GLU283 2.5 59.6 1.0 C B:ILE193 3.1 54.4 1.0 C1 B:EDO610 3.2 51.7 1.0 CD B:GLU283 3.4 58.7 1.0 N B:ILE193 3.7 55.9 1.0 C2 B:EDO610 3.7 57.7 1.0 OE1 B:GLU283 3.8 57.5 1.0 CA B:ILE193 3.9 54.8 1.0 N B:ASP194 4.1 53.8 1.0 CA B:ASP194 4.3 53.7 1.0 CB B:ILE193 4.3 54.1 1.0 O B:HOH883 4.4 68.4 1.0 C B:ASP194 4.5 52.0 1.0 O B:THR282 4.5 60.0 1.0 CG B:GLU283 4.6 57.4 1.0 C B:ASP192 4.7 57.3 1.0 CB B:ASP192 4.7 60.3 1.0 O B:ASP194 4.7 50.8 1.0 N B:PRO195 4.8 51.8 1.0 CA B:ASP192 4.9 58.9 1.0 CD B:PRO195 5.0 53.5 1.0

S.Guo, C.A.Stevens, T.D.R.Vance, L.L.C.Olijve, L.A.Graham, R.L.Campbell, S.R.Yazdi, C.Escobedo, M.Bar-Dolev, V.Yashunsky, I.Braslavsky, D.N.Langelaan, S.P.Smith, J.S.Allingham, I.K.Voets, P.L.Davies. Structure of A 1.5-Mda Adhesin That Binds Its Antarctic Bacterium to Diatoms and Ice. Sci Adv V. 3 01440 2017.
ISSN: ESSN 2375-2548
PubMed: 28808685
DOI: 10.1126/SCIADV.1701440