Calcium in PDB 9blp: T450S Mutant of Repeat Domain 2 From Clostridium Perfringens Adhesin CPE0147 with Intramolecular Ester Bond

The structure of T450S Mutant of Repeat Domain 2 From Clostridium Perfringens Adhesin CPE0147 with Intramolecular Ester Bond, PDB code: 9blp 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)	17.86 / 1.20
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	54.907, 44.166, 64.704, 90, 110.11, 90
R / Rfree (%)	14.2 / 15.8

The binding sites of Calcium atom in the T450S Mutant of Repeat Domain 2 From Clostridium Perfringens Adhesin CPE0147 with Intramolecular Ester Bond (pdb code 9blp). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the T450S Mutant of Repeat Domain 2 From Clostridium Perfringens Adhesin CPE0147 with Intramolecular Ester Bond, PDB code: 9blp:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the T450S Mutant of Repeat Domain 2 From Clostridium Perfringens Adhesin CPE0147 with 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 T450S Mutant of Repeat Domain 2 From Clostridium Perfringens Adhesin CPE0147 with Intramolecular Ester Bond within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca602 b:10.2 occ:0.80 OD1 A:ASP559 2.3 14.5 1.0 OD1 A:ASP561 2.3 10.9 1.0 OD1 A:ASP557 2.3 11.1 1.0 OD2 A:ASP565 2.3 10.9 1.0 O A:ASN563 2.4 11.1 1.0 O A:HOH804 2.4 14.3 1.0 CG A:ASP561 3.2 11.4 1.0 CG A:ASP557 3.4 11.2 1.0 CG A:ASP559 3.4 16.7 1.0 CG A:ASP565 3.4 10.5 1.0 C A:ASN563 3.5 10.4 1.0 OD2 A:ASP561 3.6 13.6 1.0 CB A:ASP565 3.9 10.5 1.0 OD2 A:ASP559 3.9 22.3 1.0 CA A:ASP557 4.0 11.2 1.0 N A:ASN563 4.0 10.5 1.0 CB A:ASP557 4.1 11.1 1.0 N A:THR558 4.1 11.6 1.0 CA A:ASN563 4.1 10.9 0.3 CA A:ASN563 4.1 10.9 0.7 N A:ASP559 4.1 13.8 1.0 CB A:ASN563 4.2 11.4 0.3 CB A:ASN563 4.2 11.6 0.7 OD2 A:ASP557 4.3 12.1 1.0 N A:ASP561 4.4 10.9 1.0 O A:HOH754 4.4 24.2 1.0 CB A:ASP561 4.4 10.9 1.0 C A:ASP557 4.4 11.5 1.0 OD1 A:ASP565 4.5 12.3 1.0 N A:ASP565 4.5 9.6 1.0 N A:LEU564 4.6 9.5 1.0 CB A:ASP559 4.6 15.3 1.0 O A:HOH751 4.6 36.5 1.0 CA A:ASP559 4.7 14.0 1.0 C A:LEU564 4.7 9.2 1.0 N A:TYR562 4.7 10.9 1.0 CA A:ASP561 4.7 10.9 1.0 C A:ASP559 4.8 13.0 1.0 N A:LYS560 4.8 12.2 1.0 C A:ASP561 4.8 10.9 1.0 CA A:LEU564 4.9 9.5 1.0 CA A:ASP565 4.9 10.0 1.0

Calcium binding site 2 out of 2 in the T450S Mutant of Repeat Domain 2 From Clostridium Perfringens Adhesin CPE0147 with 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 T450S Mutant of Repeat Domain 2 From Clostridium Perfringens Adhesin CPE0147 with Intramolecular Ester Bond within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca603 b:9.8 occ:0.80 O A:GLY475 2.3 12.1 1.0 O A:ASN471 2.3 12.9 1.0 OD1 A:ASP474 2.4 13.9 1.0 O A:HOH858 2.4 13.7 1.0 O A:HOH773 2.4 13.8 1.0 OD2 A:ASP455 2.5 12.1 1.0 OD1 A:ASP455 2.6 11.4 1.0 CG A:ASP455 2.8 11.4 1.0 C A:ASN471 3.4 12.7 1.0 CG A:ASP474 3.5 14.1 1.0 C A:GLY475 3.5 11.0 1.0 OD2 A:ASP474 4.0 18.3 1.0 CA A:VAL476 4.1 11.2 1.0 CB A:ASP455 4.2 11.6 1.0 CA A:ASN471 4.2 14.3 1.0 C A:ASP474 4.3 12.7 1.0 N A:VAL476 4.3 11.3 1.0 O A:HOH722 4.3 20.5 1.0 N A:SER472 4.3 12.7 1.0 O A:ASP474 4.3 13.8 1.0 N A:GLY475 4.4 11.7 1.0 CA A:SER472 4.5 13.0 1.0 CB A:ASN471 4.5 16.1 1.0 N A:ASP474 4.6 13.8 1.0 OD2 A:ASP477 4.6 18.9 1.0 CA A:GLY475 4.6 11.5 1.0 N A:ASP477 4.6 11.4 1.0 CB A:ASP474 4.6 14.3 1.0 CA A:ASP474 4.7 13.5 1.0 C A:SER472 4.8 13.2 1.0 O A:HOH851 4.8 25.4 1.0 C A:VAL476 4.9 10.8 1.0 OD1 A:ASN534 4.9 17.8 1.0

C.J.Squire, Y.Yosaatmadja. T450C Mutant of Repeat Domain 2 From Clostridium Perfringens Adhesin CPE0147 Without Intramolecular Ester Bond To Be Published.