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Calcium in PDB 9blo: T450C Mutant of Repeat Domain 2 From Clostridium Perfringens Adhesin CPE0147 Without Intramolecular Ester Bond

Protein crystallography data

The structure of T450C Mutant of Repeat Domain 2 From Clostridium Perfringens Adhesin CPE0147 Without Intramolecular Ester Bond, PDB code: 9blo was solved by C.J.Squire, Y.Yosaatmadja, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 18.85 / 1.35
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 39.983, 44.405, 50.102, 95.14, 109.36, 110.12
R / Rfree (%) 19.3 / 22.9

Other elements in 9blo:

The structure of T450C Mutant of Repeat Domain 2 From Clostridium Perfringens Adhesin CPE0147 Without Intramolecular Ester Bond also contains other interesting chemical elements:

Magnesium (Mg) 2 atoms

Calcium Binding Sites:

The binding sites of Calcium atom in the T450C Mutant of Repeat Domain 2 From Clostridium Perfringens Adhesin CPE0147 Without Intramolecular Ester Bond (pdb code 9blo). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the T450C Mutant of Repeat Domain 2 From Clostridium Perfringens Adhesin CPE0147 Without Intramolecular Ester Bond, PDB code: 9blo:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in 9blo

Go back to Calcium Binding Sites List in 9blo
Calcium binding site 1 out of 2 in the T450C Mutant of Repeat Domain 2 From Clostridium Perfringens Adhesin CPE0147 Without Intramolecular Ester Bond


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of T450C Mutant of Repeat Domain 2 From Clostridium Perfringens Adhesin CPE0147 Without Intramolecular Ester Bond within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca602

b:13.2
occ:1.00
O A:ASN471 2.3 12.4 1.0
OD2 A:ASP455 2.3 12.8 1.0
OD1 A:ASP474 2.3 12.9 1.0
O A:GLY475 2.3 10.5 1.0
O A:HOH785 2.3 15.2 1.0
O A:HOH822 2.3 15.2 1.0
CG A:ASP455 2.9 11.2 1.0
OD1 A:ASP455 3.0 11.7 1.0
C A:ASN471 3.3 11.2 1.0
CG A:ASP474 3.4 13.7 1.0
C A:GLY475 3.4 10.8 1.0
OD2 A:ASP474 3.8 18.9 1.0
CA A:ASN471 4.0 12.1 1.0
CA A:VAL476 4.2 9.4 1.0
CB A:ASN471 4.2 13.0 1.0
C A:ASP474 4.2 10.9 1.0
N A:VAL476 4.2 9.9 1.0
N A:GLY475 4.3 10.1 1.0
CB A:ASP455 4.3 10.1 1.0
O A:ASP474 4.3 12.0 1.0
N A:SER472 4.4 10.0 1.0
O A:HOH830 4.4 27.5 1.0
CA A:GLY475 4.5 10.9 1.0
N A:ASP474 4.5 11.5 1.0
O A:HOH736 4.6 21.4 1.0
CB A:ASP474 4.6 12.9 1.0
CA A:SER472 4.6 10.4 1.0
CA A:ASP474 4.6 11.8 1.0
N A:ASP477 4.8 8.6 1.0
C A:SER472 4.8 10.3 1.0
O A:HOH808 4.8 35.2 1.0
ND2 A:ASN534 4.9 11.5 1.0
OD2 A:ASP477 4.9 14.5 1.0
CG A:ASN471 5.0 15.7 1.0
C A:VAL476 5.0 8.8 1.0

Calcium binding site 2 out of 2 in 9blo

Go back to Calcium Binding Sites List in 9blo
Calcium binding site 2 out of 2 in the T450C Mutant of Repeat Domain 2 From Clostridium Perfringens Adhesin CPE0147 Without Intramolecular Ester Bond


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of T450C Mutant of Repeat Domain 2 From Clostridium Perfringens Adhesin CPE0147 Without Intramolecular Ester Bond within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca602

b:16.7
occ:1.00
O B:ASN471 2.3 15.0 1.0
OD1 B:ASP474 2.3 16.3 1.0
O B:GLY475 2.3 12.7 1.0
OD2 B:ASP455 2.3 15.3 1.0
O B:HOH814 2.3 17.5 1.0
O B:HOH783 2.3 18.5 1.0
CG B:ASP455 3.0 12.5 1.0
OD1 B:ASP455 3.1 13.4 1.0
CG B:ASP474 3.3 15.5 1.0
C B:ASN471 3.4 15.0 1.0
C B:GLY475 3.4 12.1 1.0
OD2 B:ASP474 3.8 19.0 1.0
CA B:ASN471 4.1 16.4 1.0
CA B:VAL476 4.1 10.7 1.0
N B:VAL476 4.2 10.8 1.0
C B:ASP474 4.2 13.0 1.0
N B:GLY475 4.3 11.7 1.0
CB B:ASN471 4.3 17.9 1.0
O B:HOH817 4.3 32.5 1.0
CB B:ASP455 4.3 12.1 1.0
N B:SER472 4.4 13.6 1.0
O B:ASP474 4.4 14.1 1.0
CA B:GLY475 4.5 12.2 1.0
O B:HOH745 4.5 22.8 1.0
CB B:ASP474 4.6 14.3 1.0
N B:ASP474 4.6 13.1 1.0
CA B:SER472 4.6 13.2 1.0
CA B:ASP474 4.7 13.4 1.0
C B:SER472 4.7 13.1 1.0
N B:ASP477 4.8 11.0 1.0
ND2 B:ASN534 4.8 14.5 1.0
O B:HOH808 4.9 40.5 1.0
C B:VAL476 5.0 10.5 1.0

Reference:

C.J.Squire, Y.Yosaatmadja. T450C Mutant of Repeat Domain 2 From Clostridium Perfringens Adhesin CPE0147 Without Intramolecular Ester Bond To Be Published.
Page generated: Thu Jul 10 09:01:49 2025

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