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Calcium in PDB 2j1r: Structure of A Streptococcus Pneumoniae Fucose Binding Module

Protein crystallography data

The structure of Structure of A Streptococcus Pneumoniae Fucose Binding Module, PDB code: 2j1r was solved by A.B.Boraston, D.Wang, R.D.Burke, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 51.99 / 1.54
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 43.581, 60.390, 99.674, 90.00, 90.00, 90.00
R / Rfree (%) 15.4 / 19.8

Calcium Binding Sites:

The binding sites of Calcium atom in the Structure of A Streptococcus Pneumoniae Fucose Binding Module (pdb code 2j1r). 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 A Streptococcus Pneumoniae Fucose Binding Module, PDB code: 2j1r:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in 2j1r

Go back to Calcium Binding Sites List in 2j1r
Calcium binding site 1 out of 2 in the Structure of A Streptococcus Pneumoniae Fucose Binding Module


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Structure of A Streptococcus Pneumoniae Fucose Binding Module within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca1152

b:13.9
occ:1.00
O A:ALA143 2.2 14.4 1.0
O A:ARG37 2.4 13.8 1.0
O A:ASN42 2.4 14.7 1.0
OE1 A:GLU144 2.4 14.3 1.0
O A:SER51 2.4 15.1 1.0
OD1 A:ASP40 2.5 15.5 1.0
OG A:SER51 2.6 17.9 1.0
CG A:ASP40 3.3 15.4 1.0
C A:SER51 3.4 14.9 1.0
C A:ALA143 3.5 14.7 1.0
C A:ASN42 3.5 16.2 1.0
OD2 A:ASP40 3.5 15.8 1.0
C A:ARG37 3.6 13.8 1.0
CD A:GLU144 3.6 14.1 1.0
CB A:SER51 3.7 16.7 1.0
CA A:SER51 3.8 15.9 1.0
N A:ASN42 4.1 14.9 1.0
CB A:GLU144 4.1 13.9 1.0
CA A:ASN42 4.1 14.8 1.0
CB A:ASN42 4.2 15.3 1.0
CA A:ALA38 4.2 13.8 1.0
CA A:GLU144 4.3 13.8 1.0
N A:GLU144 4.3 14.7 1.0
N A:ALA38 4.3 13.1 1.0
CG A:GLU144 4.4 15.0 1.0
CA A:ALA143 4.5 14.6 1.0
OE2 A:GLU144 4.5 15.5 1.0
N A:ASP40 4.5 15.0 1.0
CB A:ASP40 4.6 15.8 1.0
C A:ALA38 4.6 13.7 1.0
CA A:ARG37 4.6 13.8 1.0
N A:VAL52 4.7 14.8 1.0
N A:ARG43 4.7 15.6 1.0
O A:ASN44 4.7 17.2 1.0
CA A:ASP40 4.9 16.2 1.0
CG A:ASN42 4.9 13.6 1.0
N A:VAL39 5.0 14.4 1.0
O A:ALA38 5.0 14.8 1.0
CB A:ARG37 5.0 14.1 1.0
N A:GLY41 5.0 15.3 1.0
CA A:ARG43 5.0 16.8 1.0

Calcium binding site 2 out of 2 in 2j1r

Go back to Calcium Binding Sites List in 2j1r
Calcium binding site 2 out of 2 in the Structure of A Streptococcus Pneumoniae Fucose Binding Module


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Structure of A Streptococcus Pneumoniae Fucose Binding Module within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca1152

b:17.3
occ:1.00
O B:ALA143 2.2 19.0 1.0
O B:ARG37 2.3 17.2 1.0
O B:ASN42 2.4 18.3 1.0
OD1 B:ASP40 2.4 16.2 1.0
OE1 B:GLU144 2.4 16.9 1.0
O B:SER51 2.6 18.2 1.0
OG B:SER51 2.6 24.6 1.0
CG B:ASP40 3.3 15.1 1.0
C B:ALA143 3.4 17.6 1.0
OD2 B:ASP40 3.5 17.9 1.0
C B:ASN42 3.5 20.1 1.0
C B:ARG37 3.6 15.3 1.0
C B:SER51 3.6 18.4 1.0
CD B:GLU144 3.6 17.1 1.0
CB B:SER51 3.7 20.6 1.0
CA B:SER51 3.9 19.7 1.0
N B:ASN42 4.1 19.9 1.0
CB B:GLU144 4.1 18.0 1.0
CB B:ASN42 4.1 20.2 1.0
CA B:ASN42 4.1 19.6 1.0
CA B:ALA38 4.2 15.2 1.0
CA B:GLU144 4.2 18.0 1.0
N B:GLU144 4.3 18.2 1.0
N B:ALA38 4.4 15.1 1.0
CG B:GLU144 4.4 18.1 1.0
CA B:ALA143 4.5 17.4 1.0
OE2 B:GLU144 4.5 18.4 1.0
N B:ASP40 4.5 15.4 1.0
C B:ALA38 4.5 15.5 1.0
CA B:ARG37 4.5 15.1 1.0
CB B:ASP40 4.6 15.2 1.0
N B:ARG43 4.6 20.5 1.0
N B:VAL52 4.8 18.1 1.0
O B:ASN44 4.9 19.4 1.0
CA B:ASP40 4.9 16.2 1.0
CB B:ARG37 4.9 14.6 1.0
N B:VAL39 4.9 15.6 1.0
O B:ALA38 5.0 16.3 1.0
CA B:ARG43 5.0 20.6 1.0
N B:GLY41 5.0 16.7 1.0

Reference:

A.B.Boraston, D.Wang, R.D.Burke. Blood Group Antigen Recognition By A Streptococcus Pneumoniae Virulence Factor. J.Biol.Chem. V. 281 35263 2006.
ISSN: ISSN 0021-9258
PubMed: 16987809
DOI: 10.1074/JBC.M607620200
Page generated: Sat Dec 12 03:40:54 2020

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