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Calcium in PDB 8tgt: Structure of Human C4B-Binding Protein Alpha Chain Ccp Domains 1 and 2 in Complex with the Hypervariable Region of Group A Streptococcus M68 Protein

Protein crystallography data

The structure of Structure of Human C4B-Binding Protein Alpha Chain Ccp Domains 1 and 2 in Complex with the Hypervariable Region of Group A Streptococcus M68 Protein, PDB code: 8tgt was solved by P.Kolesinski, P.Ghosh, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 37.63 / 2.50
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 107.037, 49.664, 80.403, 90, 90, 90
R / Rfree (%) 31.3 / 34.4

Calcium Binding Sites:

The binding sites of Calcium atom in the Structure of Human C4B-Binding Protein Alpha Chain Ccp Domains 1 and 2 in Complex with the Hypervariable Region of Group A Streptococcus M68 Protein (pdb code 8tgt). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 5 binding sites of Calcium where determined in the Structure of Human C4B-Binding Protein Alpha Chain Ccp Domains 1 and 2 in Complex with the Hypervariable Region of Group A Streptococcus M68 Protein, PDB code: 8tgt:
Jump to Calcium binding site number: 1; 2; 3; 4; 5;

Calcium binding site 1 out of 5 in 8tgt

Go back to Calcium Binding Sites List in 8tgt
Calcium binding site 1 out of 5 in the Structure of Human C4B-Binding Protein Alpha Chain Ccp Domains 1 and 2 in Complex with the Hypervariable Region of Group A Streptococcus M68 Protein


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Structure of Human C4B-Binding Protein Alpha Chain Ccp Domains 1 and 2 in Complex with the Hypervariable Region of Group A Streptococcus M68 Protein within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca201

b:62.8
occ:0.50
OE1 A:GLU116 4.7 73.8 1.0

Calcium binding site 2 out of 5 in 8tgt

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Calcium binding site 2 out of 5 in the Structure of Human C4B-Binding Protein Alpha Chain Ccp Domains 1 and 2 in Complex with the Hypervariable Region of Group A Streptococcus M68 Protein


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Structure of Human C4B-Binding Protein Alpha Chain Ccp Domains 1 and 2 in Complex with the Hypervariable Region of Group A Streptococcus M68 Protein within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca202

b:90.9
occ:1.00
OE2 A:GLU103 3.9 87.6 1.0
OH B:TYR106 4.1 53.4 1.0
CD A:GLU103 4.5 84.7 1.0

Calcium binding site 3 out of 5 in 8tgt

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Calcium binding site 3 out of 5 in the Structure of Human C4B-Binding Protein Alpha Chain Ccp Domains 1 and 2 in Complex with the Hypervariable Region of Group A Streptococcus M68 Protein


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Structure of Human C4B-Binding Protein Alpha Chain Ccp Domains 1 and 2 in Complex with the Hypervariable Region of Group A Streptococcus M68 Protein within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca201

b:63.1
occ:1.00
OE2 B:GLU60 2.3 73.0 1.0
OE1 C:GLU70 2.3 62.7 1.0
O C:HOH306 2.6 39.3 1.0
OE2 C:GLU70 2.8 64.5 1.0
CD C:GLU70 2.9 71.7 1.0
CD B:GLU60 3.0 69.0 1.0
OE1 B:GLU60 3.0 86.9 1.0
CG B:GLU60 4.3 60.5 1.0
CG C:GLU70 4.4 67.0 1.0
CE1 C:HIS67 4.6 47.6 1.0
CZ2 A:TRP59 4.6 62.1 1.0
NE2 C:HIS67 4.7 48.1 1.0
O C:GLY69 4.8 39.4 1.0
NE1 A:TRP59 4.9 61.7 1.0

Calcium binding site 4 out of 5 in 8tgt

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Calcium binding site 4 out of 5 in the Structure of Human C4B-Binding Protein Alpha Chain Ccp Domains 1 and 2 in Complex with the Hypervariable Region of Group A Streptococcus M68 Protein


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Structure of Human C4B-Binding Protein Alpha Chain Ccp Domains 1 and 2 in Complex with the Hypervariable Region of Group A Streptococcus M68 Protein within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca202

b:75.8
occ:1.00
O B:THR76 3.8 107.3 1.0
N B:SER81 4.1 70.2 1.0
O B:VAL77 4.4 109.1 1.0
CB A:MSE80 5.0 76.5 1.0
O A:VAL77 5.0 86.9 1.0
C B:THR76 5.0 93.6 1.0

Calcium binding site 5 out of 5 in 8tgt

Go back to Calcium Binding Sites List in 8tgt
Calcium binding site 5 out of 5 in the Structure of Human C4B-Binding Protein Alpha Chain Ccp Domains 1 and 2 in Complex with the Hypervariable Region of Group A Streptococcus M68 Protein


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 5 of Structure of Human C4B-Binding Protein Alpha Chain Ccp Domains 1 and 2 in Complex with the Hypervariable Region of Group A Streptococcus M68 Protein within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Ca202

b:71.8
occ:1.00
CA C:GLY95 3.7 57.7 1.0
N C:PHE96 3.8 57.8 1.0
O C:PHE96 3.8 48.0 1.0
C C:GLY95 3.8 56.0 1.0
N C:GLY95 3.9 55.7 1.0
C C:PHE96 4.2 43.5 1.0
CE1 C:PHE97 4.2 43.0 1.0
CD1 C:PHE97 4.4 36.3 1.0
O C:GLY95 4.5 58.9 1.0
CA C:PHE96 4.6 49.8 1.0
CZ C:PHE97 4.7 44.3 1.0
N C:PHE97 4.8 39.6 1.0
CG C:PHE97 5.0 40.5 1.0

Reference:

P.Kolesinski, P.Ghosh. Structure of Human C4B-Binding Protein Alpha Chain Ccp Domains 1 and 2 in Complex with the Hypervariable Region of Group A Streptococcus M68 Protein To Be Published.
Page generated: Sat Sep 28 09:08:53 2024

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