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Magnesium in PDB 1hyo: Crystal Structure of Fumarylacetoacetate Hydrolase Complexed with 4-(Hydroxymethylphosphinoyl)-3-Oxo-Butanoic Acid

Enzymatic activity of Crystal Structure of Fumarylacetoacetate Hydrolase Complexed with 4-(Hydroxymethylphosphinoyl)-3-Oxo-Butanoic Acid

All present enzymatic activity of Crystal Structure of Fumarylacetoacetate Hydrolase Complexed with 4-(Hydroxymethylphosphinoyl)-3-Oxo-Butanoic Acid:
3.7.1.2;

Protein crystallography data

The structure of Crystal Structure of Fumarylacetoacetate Hydrolase Complexed with 4-(Hydroxymethylphosphinoyl)-3-Oxo-Butanoic Acid, PDB code: 1hyo was solved by R.L.Bateman, P.Bhanumoorthy, J.F.Witte, R.W.Mcclard, M.Grompe, D.E.Timm, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 27.00 / 1.30
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 64.102, 109.458, 67.459, 90.00, 102.37, 90.00
R / Rfree (%) 18.1 / 19.9

Other elements in 1hyo:

The structure of Crystal Structure of Fumarylacetoacetate Hydrolase Complexed with 4-(Hydroxymethylphosphinoyl)-3-Oxo-Butanoic Acid also contains other interesting chemical elements:

Nickel (Ni) 1 atom
Calcium (Ca) 2 atoms

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of Fumarylacetoacetate Hydrolase Complexed with 4-(Hydroxymethylphosphinoyl)-3-Oxo-Butanoic Acid (pdb code 1hyo). 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 Structure of Fumarylacetoacetate Hydrolase Complexed with 4-(Hydroxymethylphosphinoyl)-3-Oxo-Butanoic Acid, PDB code: 1hyo:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in 1hyo

Go back to Magnesium Binding Sites List in 1hyo
Magnesium binding site 1 out of 2 in the Crystal Structure of Fumarylacetoacetate Hydrolase Complexed with 4-(Hydroxymethylphosphinoyl)-3-Oxo-Butanoic Acid


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of Fumarylacetoacetate Hydrolase Complexed with 4-(Hydroxymethylphosphinoyl)-3-Oxo-Butanoic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg1004

b:8.7
occ:1.00
 OD1 A:ASP233 2.4 8.7 1.0
O A:GLY256 2.4 8.6 1.0
O A:TRP234 2.4 8.7 1.0
O A:LYS253 2.5 8.3 1.0
OG1 A:THR257 2.7 8.5 1.0
N A:TRP234 3.2 7.9 1.0
C A:GLY256 3.4 8.2 1.0
C A:TRP234 3.4 8.6 1.0
C A:ASP233 3.4 7.7 1.0
CG A:ASP233 3.5 8.3 1.0
C A:LYS253 3.5 7.2 1.0
CA A:ASP233 3.7 8.6 1.0
CA A:TRP234 3.8 9.3 1.0
CB A:THR257 3.8 9.2 1.0
CA A:LYS253 3.8 7.5 1.0
CA A:THR257 3.9 7.8 1.0
O A:ASP233 4.0 9.0 1.0
N A:THR257 4.0 8.0 1.0
CB A:LYS253 4.1 7.7 1.0
CB A:TRP234 4.2 8.7 1.0
CB A:ASP233 4.2 8.6 1.0
O A:HOH1124 4.2 8.4 1.0
OD2 A:ASP233 4.3 8.8 1.0
N A:GLY256 4.4 8.6 1.0
CG2 A:THR257 4.5 9.1 1.0
CA A:GLY256 4.5 9.2 1.0
N A:SER235 4.6 8.8 1.0
O A:HOH1133 4.6 8.7 1.0
N A:SER254 4.7 7.5 1.0
CD A:LYS253 4.8 9.6 1.0
O A:HOH1126 4.8 8.3 1.0
O A:ASN232 4.9 9.3 1.0
CD1 A:TRP234 5.0 8.9 1.0

Magnesium binding site 2 out of 2 in 1hyo

Go back to Magnesium Binding Sites List in 1hyo
Magnesium binding site 2 out of 2 in the Crystal Structure of Fumarylacetoacetate Hydrolase Complexed with 4-(Hydroxymethylphosphinoyl)-3-Oxo-Butanoic Acid


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of Fumarylacetoacetate Hydrolase Complexed with 4-(Hydroxymethylphosphinoyl)-3-Oxo-Butanoic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg1005

b:8.7
occ:1.00
 OD1 B:ASP733 2.4 9.7 1.0
O B:GLY756 2.4 8.3 1.0
O B:TRP734 2.5 8.9 1.0
O B:LYS753 2.5 8.6 1.0
OG1 B:THR757 2.7 8.2 1.0
N B:TRP734 3.2 8.2 1.0
C B:GLY756 3.4 7.9 1.0
C B:ASP733 3.5 8.0 1.0
CG B:ASP733 3.5 9.0 1.0
C B:TRP734 3.5 8.9 1.0
C B:LYS753 3.5 8.2 1.0
CA B:ASP733 3.7 7.2 1.0
CA B:TRP734 3.8 9.5 1.0
CB B:THR757 3.8 7.8 1.0
CA B:LYS753 3.8 7.9 1.0
CA B:THR757 3.9 7.7 1.0
O B:ASP733 4.0 9.0 1.0
N B:THR757 4.0 8.3 1.0
CB B:LYS753 4.0 9.2 1.0
CB B:ASP733 4.2 8.4 1.0
O B:HOH1100 4.2 8.7 1.0
CB B:TRP734 4.2 9.5 1.0
OD2 B:ASP733 4.3 9.4 1.0
N B:GLY756 4.4 8.7 1.0
CG2 B:THR757 4.5 10.3 1.0
CA B:GLY756 4.5 8.8 1.0
O B:HOH1115 4.6 9.2 1.0
N B:SER735 4.7 9.5 1.0
N B:SER754 4.7 8.3 1.0
CD B:LYS753 4.8 10.1 1.0
O B:HOH1105 4.8 9.1 1.0
O B:ASN732 4.9 9.0 1.0
CD1 B:TRP734 5.0 8.1 1.0

Reference:

R.L.Bateman, P.Bhanumoorthy, J.F.Witte, R.W.Mcclard, M.Grompe, D.E.Timm. Mechanistic Inferences From the Crystal Structure of Fumarylacetoacetate Hydrolase with A Bound Phosphorus-Based Inhibitor. J.Biol.Chem. V. 276 15284 2001.
ISSN: ISSN 0021-9258
PubMed: 11154690
DOI: 10.1074/JBC.M007621200
Page generated: Tue Aug 13 04:33:07 2024

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