Calcium in PDB 6n0a: Structure of the Major Pilin Protein (T-18.1) From Streptococcus Pyogenes Serotype MGAS8232

Protein crystallography data

The structure of Structure of the Major Pilin Protein (T-18.1) From Streptococcus Pyogenes Serotype MGAS8232, PDB code: 6n0a was solved by P.G.Young, J.M.Raynes, J.M.Loh, T.Proft, E.N.Baker, N.J.Moreland, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 40.54 / 1.75
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 40.588, 50.683, 67.924, 103.55, 93.53, 90.03
R / Rfree (%) 23.3 / 27.5

Calcium Binding Sites:

The binding sites of Calcium atom in the Structure of the Major Pilin Protein (T-18.1) From Streptococcus Pyogenes Serotype MGAS8232 (pdb code 6n0a). 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 the Major Pilin Protein (T-18.1) From Streptococcus Pyogenes Serotype MGAS8232, PDB code: 6n0a:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in 6n0a

Go back to Calcium Binding Sites List in 6n0a
Calcium binding site 1 out of 2 in the Structure of the Major Pilin Protein (T-18.1) From Streptococcus Pyogenes Serotype MGAS8232


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Structure of the Major Pilin Protein (T-18.1) From Streptococcus Pyogenes Serotype MGAS8232 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca301

b:21.4
occ:1.00
O A:SER271 2.3 13.6 1.0
OD1 A:ASP269 2.3 16.4 1.0
OD1 A:ASP253 2.3 17.8 1.0
OD1 A:ASP273 2.4 12.4 1.0
OG A:SER271 2.5 18.2 1.0
O A:HOH510 2.6 21.1 1.0
O A:HOH501 2.7 25.7 1.0
C A:SER271 3.3 14.5 1.0
CG A:ASP253 3.3 18.4 1.0
CG A:ASP273 3.4 13.9 1.0
CG A:ASP269 3.5 17.8 1.0
CB A:SER271 3.7 16.6 1.0
OD2 A:ASP273 3.8 17.6 1.0
CA A:SER271 3.9 15.5 1.0
OD2 A:ASP253 3.9 22.4 1.0
O A:THR272 4.0 12.1 1.0
OD2 A:ASP269 4.1 17.9 1.0
C A:THR272 4.1 12.8 1.0
N A:SER271 4.1 16.0 1.0
N A:ASP269 4.2 13.0 1.0
O A:ASP269 4.2 15.2 1.0
CB A:ASP253 4.3 17.9 1.0
N A:THR272 4.3 13.0 1.0
C A:ASP269 4.5 14.8 1.0
CA A:ASP253 4.5 16.9 1.0
N A:ASP273 4.5 13.3 1.0
CB A:ASP269 4.6 15.6 1.0
CB A:ASP273 4.6 13.8 1.0
CA A:ASP269 4.6 15.5 1.0
CA A:THR272 4.6 13.5 1.0
N A:GLY254 4.7 18.2 1.0
C A:ASP253 4.8 17.9 1.0
CA A:ASP273 4.8 13.2 1.0

Calcium binding site 2 out of 2 in 6n0a

Go back to Calcium Binding Sites List in 6n0a
Calcium binding site 2 out of 2 in the Structure of the Major Pilin Protein (T-18.1) From Streptococcus Pyogenes Serotype MGAS8232


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Structure of the Major Pilin Protein (T-18.1) From Streptococcus Pyogenes Serotype MGAS8232 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca301

b:19.8
occ:1.00
OD1 B:ASP269 2.3 15.9 1.0
OD1 B:ASP273 2.4 13.0 1.0
OD1 B:ASP253 2.4 15.2 1.0
O B:SER271 2.4 14.9 1.0
O B:HOH508 2.6 18.2 1.0
O B:HOH406 2.6 23.9 1.0
OG B:SER271 2.6 21.4 1.0
CG B:ASP273 3.3 13.5 1.0
CG B:ASP253 3.3 17.7 1.0
C B:SER271 3.4 15.1 1.0
CG B:ASP269 3.4 18.4 1.0
OD2 B:ASP273 3.8 15.6 1.0
CB B:SER271 3.8 17.5 1.0
CA B:SER271 4.0 16.3 1.0
OD2 B:ASP253 4.0 19.9 1.0
O B:THR272 4.0 10.8 1.0
OD2 B:ASP269 4.0 20.6 1.0
N B:ASP269 4.1 14.8 1.0
C B:THR272 4.1 12.8 1.0
N B:SER271 4.2 15.8 1.0
O B:ASP269 4.2 14.3 1.0
CB B:ASP253 4.3 16.4 1.0
N B:THR272 4.4 14.2 1.0
C B:ASP269 4.5 15.1 1.0
N B:ASP273 4.5 12.0 1.0
CA B:ASP253 4.5 16.6 1.0
NZ B:LYS266 4.5 28.2 1.0
CB B:ASP273 4.6 12.8 1.0
CB B:ASP269 4.6 16.4 1.0
CA B:ASP269 4.6 16.0 1.0
O B:HOH450 4.6 21.5 1.0
CA B:THR272 4.7 13.4 1.0
N B:GLY254 4.8 17.8 1.0
CA B:ASP273 4.8 12.5 1.0
C B:ASP253 4.8 17.6 1.0

Reference:

P.G.Young, J.M.Raynes, J.M.Loh, T.Proft, E.N.Baker, N.J.Moreland. Group Astreptococcust Antigens Have A Highly Conserved Structure Concealed Under A Heterogeneous Surface That Has Implications For Vaccine Design. Infect.Immun. V. 87 2019.
ISSN: ESSN 1098-5522
PubMed: 30936156
DOI: 10.1128/IAI.00205-19
Page generated: Sat Dec 12 07:17:15 2020

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