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Magnesium in PDB 3a4w: Crystal Structures of Catalytic Site Mutants of Active Domain 2 of Thermostable Chitinase From Pyrococcus Furiosus Complexed with Chito- Oligosaccharides

Enzymatic activity of Crystal Structures of Catalytic Site Mutants of Active Domain 2 of Thermostable Chitinase From Pyrococcus Furiosus Complexed with Chito- Oligosaccharides

All present enzymatic activity of Crystal Structures of Catalytic Site Mutants of Active Domain 2 of Thermostable Chitinase From Pyrococcus Furiosus Complexed with Chito- Oligosaccharides:
3.2.1.14;

Protein crystallography data

The structure of Crystal Structures of Catalytic Site Mutants of Active Domain 2 of Thermostable Chitinase From Pyrococcus Furiosus Complexed with Chito- Oligosaccharides, PDB code: 3a4w was solved by H.Tsuji, S.Nishimura, T.Inui, K.Ishikawa, T.Nakamura, K.Uegaki, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.49 / 1.80
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 90.005, 91.985, 107.499, 90.00, 90.00, 90.00
R / Rfree (%) 15.4 / 17.4

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structures of Catalytic Site Mutants of Active Domain 2 of Thermostable Chitinase From Pyrococcus Furiosus Complexed with Chito- Oligosaccharides (pdb code 3a4w). 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 Thermostable Chitinase From Pyrococcus Furiosus Complexed with Chito- Oligosaccharides, PDB code: 3a4w:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in 3a4w

Go back to Magnesium Binding Sites List in 3a4w
Magnesium binding site 1 out of 2 in the Crystal Structures of Catalytic Site Mutants of Active Domain 2 of Thermostable Chitinase From Pyrococcus Furiosus Complexed with Chito- Oligosaccharides


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 Thermostable Chitinase From Pyrococcus Furiosus Complexed with Chito- Oligosaccharides within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg718

b:5.0
occ:1.00
 OH A:TYR509 3.0 7.0 1.0
O A:HOH43 3.1 8.0 1.0
N A:CYS496 3.4 10.2 1.0
N A:LEU495 3.7 8.4 1.0
SG A:CYS496 3.7 13.2 1.0
CB A:CYS496 3.8 11.3 1.0
CB A:LEU495 3.9 8.6 1.0
CE2 A:TYR509 3.9 7.5 1.0
CZ A:TYR509 3.9 8.2 1.0
CB A:TYR494 3.9 8.1 1.0
CB A:PHE487 3.9 5.8 1.0
CA A:LEU495 4.1 9.0 1.0
CA A:CYS496 4.2 11.9 1.0
C A:LEU495 4.2 9.7 1.0
C A:TYR494 4.4 8.1 1.0
CA A:TYR494 4.5 7.7 1.0
CG A:PHE487 4.5 6.1 1.0
CD2 A:PHE487 4.5 6.3 1.0
CG A:TYR494 4.6 7.0 1.0
CG A:LEU495 4.6 8.2 1.0
CD1 A:LEU495 4.9 8.3 1.0
CD1 A:TYR494 5.0 8.7 1.0

Magnesium binding site 2 out of 2 in 3a4w

Go back to Magnesium Binding Sites List in 3a4w
Magnesium binding site 2 out of 2 in the Crystal Structures of Catalytic Site Mutants of Active Domain 2 of Thermostable Chitinase From Pyrococcus Furiosus Complexed with Chito- Oligosaccharides


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 Thermostable Chitinase From Pyrococcus Furiosus Complexed with Chito- Oligosaccharides within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg718

b:6.2
occ:1.00
 OH B:TYR509 3.0 7.9 1.0
O B:HOH16 3.1 6.2 1.0
N B:CYS496 3.3 10.5 1.0
SG B:CYS496 3.6 13.9 1.0
N B:LEU495 3.7 8.4 1.0
CB B:CYS496 3.7 11.9 1.0
CB B:LEU495 3.8 8.6 1.0
CE2 B:TYR509 3.9 8.2 1.0
CB B:PHE487 3.9 6.0 1.0
CZ B:TYR509 3.9 7.0 1.0
CB B:TYR494 4.0 9.5 1.0
CA B:LEU495 4.1 9.2 1.0
CA B:CYS496 4.1 11.8 1.0
C B:LEU495 4.2 9.8 1.0
C B:TYR494 4.4 9.3 1.0
CG B:PHE487 4.5 6.6 1.0
CA B:TYR494 4.6 9.0 1.0
CD2 B:PHE487 4.6 8.1 1.0
CG B:LEU495 4.7 8.3 1.0
CG B:TYR494 4.7 7.6 1.0
CD1 B:ILE525 4.9 14.9 1.0
CD1 B:LEU495 4.9 9.1 1.0

Reference:

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
Page generated: Wed Aug 14 08:28:22 2024

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