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

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

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

Calcium

(Ca)

2 atoms

The binding sites of Magnesium 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 Magnesium atom.
In total 2 binding sites of Magnesium where determined in the T450C Mutant of Repeat Domain 2 From Clostridium Perfringens Adhesin CPE0147 Without Intramolecular Ester Bond, PDB code: 9blo:
Jump to Magnesium binding site number: 1; 2;

Magnesium 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 Magnesium with other atoms in the Mg 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:Mg601 b:17.9 occ:1.00 O A:HOH750 2.1 19.4 1.0 OD1 A:ASP557 2.1 16.2 1.0 OD1 A:ASP559 2.1 21.3 1.0 OD2 A:ASP565 2.1 18.5 1.0 OD1 A:ASP561 2.1 19.2 1.0 O A:ASN563 2.1 17.2 1.0 CG A:ASP561 3.0 20.2 1.0 CG A:ASP559 3.1 24.0 1.0 CG A:ASP557 3.2 17.3 1.0 CG A:ASP565 3.2 18.7 1.0 C A:ASN563 3.3 17.3 1.0 OD2 A:ASP561 3.3 20.9 1.0 OD2 A:ASP559 3.6 28.2 1.0 CB A:ASP565 3.8 19.1 1.0 N A:ASN563 3.9 18.1 1.0 CA A:ASN563 3.9 18.6 1.0 CB A:ASN563 4.0 20.0 1.0 CB A:ASP557 4.0 17.9 1.0 OD2 A:ASP557 4.0 18.3 1.0 CA A:ASP557 4.0 17.4 1.0 ND2 A:ASN563 4.1 25.8 1.0 N A:ASP559 4.2 21.6 1.0 N A:THR558 4.2 20.2 1.0 OD1 A:ASP565 4.3 19.9 1.0 CB A:ASP561 4.3 20.1 1.0 N A:ASP561 4.4 20.9 1.0 N A:LEU564 4.4 17.4 1.0 CB A:ASP559 4.4 23.3 1.0 N A:ASP565 4.5 17.6 1.0 C A:ASP557 4.5 18.1 1.0 CG A:ASN563 4.5 23.4 1.0 CA A:ASP559 4.6 22.3 1.0 C A:ASP559 4.7 22.7 1.0 N A:TYR562 4.7 19.3 1.0 CA A:ASP561 4.7 19.7 1.0 C A:LEU564 4.7 17.6 1.0 N A:LYS560 4.8 22.7 1.0 CA A:LEU564 4.8 17.6 1.0 CA A:ASP565 4.8 18.5 1.0 C A:ASP561 4.8 19.1 1.0

Magnesium 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 Magnesium with other atoms in the Mg 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:Mg601 b:18.4 occ:1.00 O B:HOH739 2.1 20.2 1.0 OD1 B:ASP557 2.1 18.7 1.0 OD2 B:ASP565 2.1 18.6 1.0 OD1 B:ASP561 2.1 18.2 1.0 OD1 B:ASP559 2.1 20.4 1.0 O B:ASN563 2.1 17.9 1.0 CG B:ASP561 3.0 19.5 1.0 CG B:ASP559 3.1 22.5 1.0 CG B:ASP557 3.2 19.3 1.0 CG B:ASP565 3.2 18.5 1.0 C B:ASN563 3.3 17.7 1.0 OD2 B:ASP561 3.4 20.4 1.0 OD2 B:ASP559 3.6 27.4 1.0 CB B:ASP565 3.8 18.3 1.0 N B:ASN563 3.9 18.9 1.0 CA B:ASN563 3.9 19.6 1.0 CB B:ASN563 4.0 21.3 1.0 OD2 B:ASP557 4.0 21.0 1.0 CB B:ASP557 4.0 19.7 1.0 CA B:ASP557 4.0 18.7 1.0 N B:ASP559 4.1 19.9 1.0 N B:THR558 4.2 19.3 1.0 ND2 B:ASN563 4.3 26.0 1.0 OD1 B:ASP565 4.3 21.4 1.0 CB B:ASP561 4.3 19.4 1.0 N B:ASP561 4.3 19.9 1.0 N B:LEU564 4.4 17.7 1.0 CB B:ASP559 4.4 21.3 1.0 N B:ASP565 4.5 16.2 1.0 C B:ASP557 4.5 18.7 1.0 CA B:ASP559 4.6 20.3 1.0 C B:ASP559 4.6 19.9 1.0 CG B:ASN563 4.7 24.3 1.0 N B:TYR562 4.7 20.4 1.0 CA B:ASP561 4.7 19.8 1.0 C B:LEU564 4.8 16.4 1.0 CA B:LEU564 4.8 16.6 1.0 N B:LYS560 4.8 20.1 1.0 C B:ASP561 4.8 19.6 1.0 CA B:ASP565 4.8 17.6 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.