Magnesium in PDB 3afb: Crystal Structures of Catalytic Site Mutants of Active Domain 2 of Chitinase From Pyrococcus Furiosus

All present enzymatic activity of Crystal Structures of Catalytic Site Mutants of Active Domain 2 of Chitinase From Pyrococcus Furiosus:
3.2.1.14;

The structure of Crystal Structures of Catalytic Site Mutants of Active Domain 2 of Chitinase From Pyrococcus Furiosus, PDB code: 3afb was solved by H.Tsuji, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.13 / 1.76
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	89.912, 91.997, 107.402, 90.00, 90.00, 90.00
R / Rfree (%)	16.1 / 18.2

The binding sites of Magnesium atom in the Crystal Structures of Catalytic Site Mutants of Active Domain 2 of Chitinase From Pyrococcus Furiosus (pdb code 3afb). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structures of Catalytic Site Mutants of Active Domain 2 of Chitinase From Pyrococcus Furiosus, PDB code: 3afb:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structures of Catalytic Site Mutants of Active Domain 2 of Chitinase From Pyrococcus Furiosus


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structures of Catalytic Site Mutants of Active Domain 2 of Chitinase From Pyrococcus Furiosus within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1 b:18.4 occ:1.00 OH A:TYR509 3.0 8.1 1.0 O A:HOH49 3.0 8.0 1.0 N A:CYS496 3.4 11.3 1.0 SG A:CYS496 3.6 12.9 1.0 N A:LEU495 3.7 10.5 1.0 CB A:CYS496 3.8 12.4 1.0 CB A:TYR494 3.8 9.9 1.0 CE2 A:TYR509 3.9 7.4 1.0 CB A:LEU495 3.9 10.6 1.0 CB A:PHE487 3.9 6.0 1.0 CZ A:TYR509 3.9 8.5 1.0 CA A:LEU495 4.1 10.7 1.0 CA A:CYS496 4.2 12.2 1.0 C A:LEU495 4.2 11.3 1.0 C A:TYR494 4.3 10.1 1.0 CA A:TYR494 4.5 9.9 1.0 CD2 A:PHE487 4.5 6.6 1.0 CG A:PHE487 4.5 6.1 1.0 CG A:TYR494 4.5 8.2 1.0 CG A:LEU495 4.6 10.6 1.0 CD1 A:LEU495 4.8 8.2 1.0 CD1 A:TYR494 4.8 8.8 1.0 CD1 A:ILE525 4.9 7.0 0.5 CD2 A:PHE523 4.9 7.4 1.0 N A:GLY488 5.0 6.4 1.0

Magnesium binding site 2 out of 2 in the Crystal Structures of Catalytic Site Mutants of Active Domain 2 of Chitinase From Pyrococcus Furiosus


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structures of Catalytic Site Mutants of Active Domain 2 of Chitinase From Pyrococcus Furiosus within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg2 b:17.3 occ:1.00 OH B:TYR509 3.0 8.5 1.0 O B:HOH8 3.0 7.8 1.0 N B:CYS496 3.3 9.5 1.0 N B:LEU495 3.6 8.1 1.0 SG B:CYS496 3.7 11.5 1.0 CB B:LEU495 3.8 7.8 1.0 CE2 B:TYR509 3.8 8.1 1.0 CB B:CYS496 3.8 10.5 1.0 CZ B:TYR509 3.9 8.4 1.0 CB B:TYR494 3.9 8.6 1.0 CB B:PHE487 3.9 6.9 1.0 CA B:LEU495 4.1 8.0 1.0 C B:LEU495 4.2 8.8 1.0 CA B:CYS496 4.2 10.8 1.0 C B:TYR494 4.3 8.3 1.0 CA B:TYR494 4.4 8.6 1.0 CD2 B:PHE487 4.5 8.9 1.0 CG B:PHE487 4.5 7.2 1.0 CG B:LEU495 4.6 6.5 1.0 CG B:TYR494 4.6 8.6 1.0 CD1 B:ILE525 4.8 5.6 0.5 CD1 B:LEU495 4.8 6.2 1.0 CD2 B:PHE523 4.9 6.9 1.0 N B:GLY488 4.9 7.9 1.0 C B:PHE487 5.0 7.3 1.0 CD1 B:TYR494 5.0 10.0 1.0

H.Tsuji, S.Nishimura, T.Inui, Y.Kado, K.Ishikawa, T.Nakamura, K.Uegaki. Kinetic and Crystallographic Analyses of the Catalytic Domain of Chitinase From Pyrococcus Furiosus- the Role of Conserved Residues in the Active Site Febs J. V. 277 2683 2010.
ISSN: ISSN 1742-464X
PubMed: 20553502
DOI: 10.1111/J.1742-464X.2010.07685.X