Calcium in PDB 1qcn: Crystal Structure of Fumarylacetoacetate Hydrolase

All present enzymatic activity of Crystal Structure of Fumarylacetoacetate Hydrolase:
3.7.1.2;

The structure of Crystal Structure of Fumarylacetoacetate Hydrolase, PDB code: 1qcn was solved by D.E.Timm, H.A.Mueller, P.Bhanumoorthy, J.M.Harp, G.J.Bunick, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	22.00 / 1.90
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	64.321, 110.343, 67.533, 90.00, 102.38, 90.00
R / Rfree (%)	19.1 / 22

The structure of Crystal Structure of Fumarylacetoacetate Hydrolase also contains other interesting chemical elements:

Nickel

(Ni)

1 atom

The binding sites of Calcium atom in the Crystal Structure of Fumarylacetoacetate Hydrolase (pdb code 1qcn). 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, PDB code: 1qcn:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of Fumarylacetoacetate Hydrolase


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 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1001 b:6.7 occ:1.00 O A:HOH1108 2.3 5.1 1.0 OD2 A:ASP233 2.3 4.5 1.0 OE2 A:GLU201 2.4 6.8 1.0 OXT A:ACT1004 2.4 11.5 1.0 OD2 A:ASP126 2.4 6.3 1.0 OE1 A:GLU199 2.4 9.2 1.0 CG A:ASP233 3.3 4.6 1.0 C A:ACT1004 3.4 12.6 1.0 CG A:ASP126 3.5 6.2 1.0 CD A:GLU201 3.5 7.2 1.0 CD A:GLU199 3.6 8.5 1.0 NZ A:LYS253 3.7 11.7 1.0 CB A:ASP233 3.7 4.4 1.0 O A:HOH1119 3.7 10.4 1.0 OD1 A:ASP126 3.9 7.0 1.0 OE1 A:GLU201 4.1 6.5 1.0 OH A:TYR159 4.1 5.8 1.0 CH3 A:ACT1004 4.1 12.5 1.0 CE A:LYS253 4.1 11.6 1.0 OG1 A:THR350 4.2 8.4 1.0 O A:HOH1084 4.2 9.1 1.0 OE2 A:GLU199 4.2 8.5 1.0 O A:ACT1004 4.3 13.1 1.0 OD1 A:ASP233 4.4 5.7 1.0 N A:THR350 4.4 7.7 1.0 CA A:GLY349 4.5 7.3 1.0 CB A:GLU199 4.6 7.9 1.0 CG A:GLU199 4.7 8.1 1.0 CG A:GLU201 4.7 6.4 1.0 CB A:ASP126 4.7 5.9 1.0 O A:HOH1126 4.8 8.8 1.0 C A:GLY349 4.9 7.6 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of Fumarylacetoacetate Hydrolase


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 within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca1002 b:8.0 occ:1.00 O B:HOH1078 2.3 7.1 1.0 OE2 B:GLU701 2.4 6.5 1.0 OE1 B:GLU699 2.4 6.1 1.0 OD2 B:ASP733 2.4 6.7 1.0 OD2 B:ASP626 2.4 5.9 1.0 OXT B:ACT1006 2.4 9.0 1.0 C B:ACT1006 3.3 10.4 1.0 CG B:ASP733 3.4 7.7 1.0 CG B:ASP626 3.5 6.6 1.0 O B:HOH1072 3.5 18.1 1.0 CD B:GLU701 3.5 5.8 1.0 CD B:GLU699 3.5 7.2 1.0 CB B:ASP733 3.7 6.3 1.0 NZ B:LYS753 3.8 7.8 1.0 OD1 B:ASP626 3.9 7.9 1.0 O B:ACT1006 4.0 10.4 1.0 OH B:TYR659 4.0 7.8 1.0 OE1 B:GLU701 4.0 4.7 1.0 O B:HOH1073 4.1 11.7 1.0 CE B:LYS753 4.1 7.2 1.0 OE2 B:GLU699 4.2 7.5 1.0 OG1 B:THR850 4.2 7.6 1.0 CH3 B:ACT1006 4.4 9.8 1.0 OD1 B:ASP733 4.5 8.3 1.0 N B:THR850 4.5 7.1 1.0 CB B:GLU699 4.6 6.9 1.0 CA B:GLY849 4.6 7.0 1.0 CG B:GLU699 4.7 6.3 1.0 CG B:GLU701 4.7 5.7 1.0 CB B:ASP626 4.7 5.6 1.0 O B:HOH1096 4.9 8.7 1.0 C B:GLY849 4.9 6.7 1.0

D.E.Timm, H.A.Mueller, P.Bhanumoorthy, J.M.Harp, G.J.Bunick. Crystal Structure and Mechanism of A Carbon-Carbon Bond Hydrolase. Structure Fold.Des. V. 7 1023 1999.
ISSN: ISSN 0969-2126
PubMed: 10508789
DOI: 10.1016/S0969-2126(99)80170-1