Calcium in PDB 4y2l: Structure of Cfa/I Pili Major Subunit Cfab Trimer

The structure of Structure of Cfa/I Pili Major Subunit Cfab Trimer, PDB code: 4y2l 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)	40.78 / 1.75
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	66.266, 105.811, 70.109, 90.00, 114.05, 90.00
R / Rfree (%)	20.4 / 24

The binding sites of Calcium atom in the Structure of Cfa/I Pili Major Subunit Cfab Trimer (pdb code 4y2l). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Structure of Cfa/I Pili Major Subunit Cfab Trimer, PDB code: 4y2l:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Structure of Cfa/I Pili Major Subunit Cfab Trimer


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca 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 F:Ca201 b:65.0 occ:1.00 HG F:SER37 3.4 28.4 1.0 HE2 B:HIS50 3.6 14.1 1.0 HG F:SER34 4.0 17.0 1.0 HB2 F:SER34 4.1 16.6 1.0 OG F:SER37 4.1 23.6 1.0 O B:HOH206 4.1 25.1 1.0 OE1 F:GLU41 4.2 30.1 1.0 HB3 F:SER34 4.3 16.6 1.0 HB3 F:SER37 4.3 19.9 1.0 NE2 B:HIS50 4.4 11.8 1.0 CB F:SER34 4.5 13.8 1.0 OG F:SER34 4.7 14.2 1.0 HD2 B:HIS50 4.7 8.6 1.0 CB F:SER37 4.7 16.6 1.0 HG1 F:THR39 4.8 19.4 1.0 OG1 F:THR39 5.0 16.2 1.0 CD2 B:HIS50 5.0 7.2 1.0 HB2 F:GLU41 5.0 21.2 1.0

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


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca 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 F:Ca202 b:58.4 occ:1.00 HG3 C:GLU41 2.2 58.1 1.0 HG2 C:GLU41 2.3 58.1 1.0 O C:HOH389 2.5 20.9 1.0 CG C:GLU41 2.6 48.4 1.0 HA2 F:GLY22 2.7 24.0 1.0 O F:GLY22 2.7 18.2 1.0 HD12 F:LEU18 2.9 18.7 1.0 HA3 F:GLY22 3.2 24.0 1.0 CA F:GLY22 3.2 20.0 1.0 HD13 F:LEU18 3.3 18.7 1.0 O F:HOH391 3.3 31.0 1.0 C F:GLY22 3.3 21.1 1.0 CD1 F:LEU18 3.4 15.6 1.0 OE1 C:GLU41 3.5 53.8 1.0 CD C:GLU41 3.5 34.3 1.0 HB2 C:GLU41 3.6 20.1 1.0 O C:HOH394 3.6 33.8 1.0 HD11 F:LEU18 3.7 18.7 1.0 CB C:GLU41 3.8 16.7 1.0 HB3 C:ALA32 3.8 10.2 1.0 HB2 C:SER34 4.0 10.0 1.0 HE2 F:HIS50 4.1 14.1 1.0 H C:GLU41 4.3 17.4 1.0 O C:HOH392 4.3 28.6 1.0 HB1 C:ALA32 4.3 10.2 1.0 HB3 C:GLU41 4.4 20.1 1.0 CB C:ALA32 4.5 8.5 1.0 N F:GLY22 4.6 18.9 1.0 NE2 F:HIS50 4.6 11.8 1.0 N F:ASN23 4.6 17.9 1.0 HB3 F:LEU18 4.7 8.2 1.0 CA C:GLU41 4.7 13.2 1.0 N C:GLU41 4.7 14.5 1.0 OE2 C:GLU41 4.7 34.8 1.0 H F:GLY22 4.8 22.7 1.0 HA C:GLU41 4.8 15.8 1.0 CG F:LEU18 4.8 18.0 1.0 O F:HOH324 4.9 9.9 1.0 O C:ALA32 4.9 14.5 1.0 CB C:SER34 5.0 8.3 1.0

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