Calcium in PDB 5vgc: Crystal Structure of the NLEG5-1 Effector (C200A) From Escherichia Coli O157:H7 Str. Sakai

The structure of Crystal Structure of the NLEG5-1 Effector (C200A) From Escherichia Coli O157:H7 Str. Sakai, PDB code: 5vgc was solved by D.Borek, D.Valleau, T.Skarina, M.C.Jobin, Z.Wawrzak, W.F.Anderson, A.Savchenko, Center For Structural Genomics Of Infectious Diseases(Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.01 / 2.60
Space group	P 65 2 2
Cell size a, b, c (Å), α, β, γ (°)	151.376, 151.376, 87.983, 90.00, 90.00, 120.00
R / Rfree (%)	24.5 / 29.7

The structure of Crystal Structure of the NLEG5-1 Effector (C200A) From Escherichia Coli O157:H7 Str. Sakai also contains other interesting chemical elements:

Chlorine

(Cl)

3 atoms

The binding sites of Calcium atom in the Crystal Structure of the NLEG5-1 Effector (C200A) From Escherichia Coli O157:H7 Str. Sakai (pdb code 5vgc). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 5 binding sites of Calcium where determined in the Crystal Structure of the NLEG5-1 Effector (C200A) From Escherichia Coli O157:H7 Str. Sakai, PDB code: 5vgc:
Jump to Calcium binding site number: 1; 2; 3; 4; 5;

Calcium binding site 1 out of 5 in the Crystal Structure of the NLEG5-1 Effector (C200A) From Escherichia Coli O157:H7 Str. Sakai


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of the NLEG5-1 Effector (C200A) From Escherichia Coli O157:H7 Str. Sakai within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca301 b:31.4 occ:1.00 O A:LEU103 2.3 30.4 1.0 O B:LEU103 2.3 46.1 1.0 O A:GLU101 2.3 37.4 1.0 O B:GLU101 2.6 32.0 1.0 C A:LEU103 3.4 27.0 1.0 C B:LEU103 3.5 54.9 1.0 C A:GLU101 3.5 28.9 1.0 C B:GLU101 3.7 32.2 1.0 N A:LEU103 4.0 26.6 1.0 N B:LEU103 4.1 49.0 1.0 CA A:LEU103 4.2 25.6 1.0 CA B:LEU103 4.3 55.0 1.0 C A:MET102 4.3 28.1 1.0 CA A:GLU101 4.3 27.4 1.0 O A:ILE100 4.4 26.2 1.0 N A:MET102 4.4 30.2 1.0 C B:MET102 4.5 51.1 1.0 N A:GLU104 4.5 29.6 1.0 N B:GLU104 4.5 61.1 1.0 CB A:LEU103 4.6 22.5 1.0 CB B:LEU103 4.6 58.9 1.0 CA B:GLU101 4.6 28.1 1.0 O B:ILE100 4.6 35.5 1.0 CA A:MET102 4.6 30.5 1.0 N B:MET102 4.7 36.6 1.0 CA B:GLU104 4.7 66.0 1.0 CA A:GLU104 4.7 27.7 1.0 CA B:MET102 4.8 44.4 1.0 O A:MET102 4.9 28.4 1.0

Calcium binding site 2 out of 5 in the Crystal Structure of the NLEG5-1 Effector (C200A) From Escherichia Coli O157:H7 Str. Sakai


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure of the NLEG5-1 Effector (C200A) From Escherichia Coli O157:H7 Str. Sakai within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca302 b:35.4 occ:1.00 O A:HOH434 2.5 13.8 1.0 O A:HOH438 2.5 12.1 1.0 O A:HOH404 3.1 20.8 1.0 O A:HOH447 3.1 14.8 1.0 OD1 A:ASN127 3.2 19.3 1.0 ND2 A:ASN127 3.2 22.8 1.0 OE2 A:GLU129 3.3 22.1 1.0 CG A:ASN127 3.4 20.5 1.0 CD A:GLU129 3.5 20.3 1.0 CG A:GLU129 3.5 19.9 1.0 CA A:CA304 4.0 17.8 1.0 OE1 A:GLU129 4.3 19.6 1.0 O A:GLU150 4.5 19.6 1.0 CB A:GLU150 4.5 21.0 1.0 OE2 A:GLU150 4.5 26.9 1.0 CB A:ASN127 4.7 20.1 1.0 CB A:GLU129 4.8 19.4 1.0 CA A:GLU150 4.9 17.3 1.0 C A:GLU150 4.9 17.7 1.0 N A:GLU129 4.9 17.0 1.0

Calcium binding site 3 out of 5 in the Crystal Structure of the NLEG5-1 Effector (C200A) From Escherichia Coli O157:H7 Str. Sakai


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Crystal Structure of the NLEG5-1 Effector (C200A) From Escherichia Coli O157:H7 Str. Sakai within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca303 b:44.5 occ:1.00 O A:HOH441 2.3 21.6 1.0 O A:ARG179 2.5 9.0 1.0 C A:ARG179 3.7 9.4 1.0 CB A:ARG179 4.3 9.3 1.0 OE1 A:GLU104 4.3 42.3 1.0 O A:ASN105 4.4 23.3 0.5 O A:ASN105 4.4 23.2 0.5 CA A:ARG179 4.6 8.9 1.0 N A:ALA180 4.6 10.2 1.0 OG A:SER188 4.7 23.4 1.0 C A:ALA180 4.7 10.8 1.0 CA A:ALA180 4.7 9.9 1.0 N A:ALA181 4.7 13.1 1.0 OD1 A:ASP107 4.9 26.8 1.0

Calcium binding site 4 out of 5 in the Crystal Structure of the NLEG5-1 Effector (C200A) From Escherichia Coli O157:H7 Str. Sakai


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Crystal Structure of the NLEG5-1 Effector (C200A) From Escherichia Coli O157:H7 Str. Sakai within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca304 b:17.8 occ:1.00 OE2 A:GLU129 2.2 22.1 1.0 O A:HOH404 2.3 20.8 1.0 O A:HOH438 2.6 12.1 1.0 CD A:GLU129 3.2 20.3 1.0 OE1 A:GLU129 3.6 19.6 1.0 CA A:CA302 4.0 35.4 1.0 OE2 A:GLU150 4.2 26.9 1.0 CA A:CA305 4.4 8.4 0.5 CG A:GLU129 4.5 19.9 1.0 O A:HOH447 4.9 14.8 1.0

Calcium binding site 5 out of 5 in the Crystal Structure of the NLEG5-1 Effector (C200A) From Escherichia Coli O157:H7 Str. Sakai


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 5 of Crystal Structure of the NLEG5-1 Effector (C200A) From Escherichia Coli O157:H7 Str. Sakai within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca305 b:8.4 occ:0.50 OE1 A:GLU129 2.4 19.6 1.0 OE2 A:GLU150 2.5 26.9 1.0 CD A:GLU150 3.4 27.0 1.0 CD A:GLU129 3.6 20.3 1.0 OE1 A:GLU150 3.6 20.9 1.0 OE2 A:GLU129 4.1 22.1 1.0 OE2 A:GLU148 4.2 47.5 1.0 CA A:CA304 4.4 17.8 1.0 O A:HOH438 4.7 12.1 1.0 CG A:GLU129 4.9 19.9 1.0 CG A:GLU150 4.9 22.3 1.0 O A:HOH434 5.0 13.8 1.0

D.Valleau, D.Little, D.Borek, T.Skarina, A.T.Quaile, R.Di Leo, S.Houliston, A.Lemak, C.Arrowsmith, B.Combes, A.Savchenko. Crystal Structure of the NLEG5-1 Effector (C200A) From Escherichia Coli O157:H7 Str. Sakai To Be Published.