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Calcium 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
Magnesium (Mg) 2 atoms

Calcium Binding Sites:

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

Calcium binding site 1 out of 2 in 1hyo

Go back to Calcium Binding Sites List in 1hyo
Calcium 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 Calcium with other atoms in the Ca 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:Ca1006

b:7.7
occ:1.00
 OE2 A:GLU199 2.4 9.2 1.0
OD2 A:ASP233 2.4 8.8 1.0
OE2 A:GLU201 2.4 8.8 1.0
OD2 A:ASP126 2.5 9.0 1.0
O1 A:HBU1012 2.5 9.7 1.0
O8 A:HBU1012 2.6 8.6 1.0
CG A:ASP233 3.3 8.3 1.0
C5 A:HBU1012 3.4 8.1 1.0
C2 A:HBU1012 3.4 9.1 1.0
CG A:ASP126 3.5 7.4 1.0
CD A:GLU201 3.5 8.0 1.0
CB A:ASP233 3.6 8.6 1.0
CD A:GLU199 3.6 8.6 1.0
C4 A:HBU1012 3.7 8.0 1.0
OD1 A:ASP126 3.8 9.0 1.0
OH A:TYR159 3.9 10.2 1.0
OE1 A:GLU201 4.0 8.7 1.0
OG1 A:THR350 4.0 9.5 1.0
OE1 A:GLU199 4.2 9.3 1.0
NZ A:LYS253 4.3 10.0 1.0
CE A:LYS253 4.3 9.5 1.0
OD1 A:ASP233 4.4 8.7 1.0
CB A:GLU199 4.4 8.8 1.0
O3 A:HBU1012 4.5 9.4 1.0
CG A:GLU199 4.6 9.2 1.0
O A:HOH1301 4.6 9.8 1.0
CG A:GLU201 4.6 9.0 1.0
CB A:ASP126 4.7 7.8 1.0
C9 A:HBU1012 4.8 9.4 1.0
N A:THR350 4.9 9.4 1.0
O A:ASP233 4.9 9.0 1.0
CD A:LYS253 4.9 9.6 1.0
CZ A:TYR159 4.9 7.7 1.0
O A:HOH1124 5.0 8.4 1.0

Calcium binding site 2 out of 2 in 1hyo

Go back to Calcium Binding Sites List in 1hyo
Calcium 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 Calcium with other atoms in the Ca 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:Ca1007

b:8.2
occ:1.00
 OE1 B:GLU699 2.4 10.7 1.0
OE2 B:GLU701 2.5 9.4 1.0
OD2 B:ASP733 2.5 9.4 1.0
O1 B:HBU1011 2.5 10.3 1.0
OD2 B:ASP626 2.5 8.8 1.0
O8 B:HBU1011 2.6 9.0 1.0
CG B:ASP733 3.3 9.0 1.0
C5 B:HBU1011 3.4 8.6 1.0
C2 B:HBU1011 3.4 9.1 1.0
CG B:ASP626 3.5 8.6 1.0
CD B:GLU701 3.5 8.0 1.0
CB B:ASP733 3.5 8.4 1.0
CD B:GLU699 3.6 10.2 1.0
C4 B:HBU1011 3.7 9.5 1.0
OD1 B:ASP626 3.8 9.2 1.0
OH B:TYR659 3.9 9.7 1.0
OE1 B:GLU701 4.0 8.6 1.0
OG1 B:THR850 4.0 10.2 1.0
OE2 B:GLU699 4.3 10.8 1.0
NZ B:LYS753 4.3 10.5 1.0
CE B:LYS753 4.4 10.3 1.0
CB B:GLU699 4.4 8.2 1.0
OD1 B:ASP733 4.4 9.7 1.0
O3 B:HBU1011 4.5 10.2 1.0
CG B:GLU699 4.6 9.3 1.0
O B:HOH1318 4.6 11.1 1.0
CG B:GLU701 4.7 8.7 1.0
CB B:ASP626 4.8 8.1 1.0
C9 B:HBU1011 4.8 9.9 1.0
N B:THR850 4.9 8.8 1.0
CD B:LYS753 4.9 10.1 1.0
O B:ASP733 4.9 9.0 1.0
O B:HOH1100 4.9 8.7 1.0
CZ B:TYR659 5.0 7.8 1.0
O14 B:HBU1011 5.0 10.7 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: Thu Jul 11 10:12:19 2024

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