Magnesium in PDB 4y2n: Structure of Cfa/I Pili Major Subunit Cfab Trimer

The structure of Structure of Cfa/I Pili Major Subunit Cfab Trimer, PDB code: 4y2n was solved by R.Bao, D.Xia, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.70 / 2.40
Space group	P 3 2 1
Cell size a, b, c (Å), α, β, γ (°)	114.723, 114.723, 67.081, 90.00, 90.00, 120.00
R / Rfree (%)	23.7 / 26

The binding sites of Magnesium atom in the Structure of Cfa/I Pili Major Subunit Cfab Trimer (pdb code 4y2n). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the Structure of Cfa/I Pili Major Subunit Cfab Trimer, PDB code: 4y2n:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in the Structure of Cfa/I Pili Major Subunit Cfab Trimer


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Structure of Cfa/I Pili Major Subunit Cfab Trimer within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg201 b:52.6 occ:1.00 O B:HOH334 3.6 34.6 1.0 N B:MET46 3.7 29.1 1.0 CG2 B:VAL45 3.8 28.2 1.0 O B:MET46 4.0 31.4 1.0 OD2 B:ASP21 4.1 51.3 1.0 OE1 B:GLN19 4.2 45.1 1.0 CB B:MET46 4.4 33.8 1.0 CA B:MET46 4.5 33.5 1.0 CG B:ASP21 4.6 41.2 1.0 CD B:GLN19 4.6 35.5 1.0 C B:VAL45 4.7 28.6 1.0 CA B:VAL45 4.7 26.7 1.0 C B:MET46 4.7 35.7 1.0 CB B:GLN19 4.7 28.5 1.0 CB B:VAL45 4.8 24.8 1.0 N B:ALA20 4.8 25.6 1.0 CG B:GLN19 4.9 32.4 1.0 OD1 B:ASP21 5.0 44.3 1.0

Magnesium binding site 2 out of 3 in the Structure of Cfa/I Pili Major Subunit Cfab Trimer


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Structure of Cfa/I Pili Major Subunit Cfab Trimer within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg203 b:47.0 occ:1.00 O B:LEU89 3.3 37.0 1.0 O B:ILE80 3.6 34.7 1.0 O B:HOH351 3.9 40.3 1.0 CD1 B:LEU62 4.0 25.1 1.0 O B:HOH338 4.1 31.5 1.0 N B:VAL82 4.1 29.3 1.0 C B:LEU89 4.3 37.3 1.0 CA B:SER81 4.3 23.6 1.0 CD B:PRO66 4.4 31.0 1.0 CG B:PRO66 4.6 27.1 1.0 CA B:SER90 4.6 35.3 1.0 C B:ILE80 4.6 29.9 1.0 CG2 B:VAL82 4.7 27.4 1.0 C B:SER81 4.7 29.0 1.0 CB B:VAL82 4.8 28.0 1.0 N B:SER90 4.9 37.6 1.0 O B:VAL82 4.9 33.8 1.0 CB B:SER90 4.9 40.8 1.0

Magnesium binding site 3 out of 3 in the Structure of Cfa/I Pili Major Subunit Cfab Trimer


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Structure of Cfa/I Pili Major Subunit Cfab Trimer within 5.0Å range:

R.Bao, Y.Liu, S.J.Savarino, D.Xia. Off-Pathway Assembly of Fimbria Subunits Is Prevented By Chaperone Cfaa of Cfa/I Fimbriae From Enterotoxigenic E. Coli. Mol. Microbiol. V. 102 975 2016.
ISSN: ESSN 1365-2958
PubMed: 27627030
DOI: 10.1111/MMI.13530