Calcium in PDB 3n1g: Crystal Structure of Dhhn Bound to BOCFN3

The structure of Crystal Structure of Dhhn Bound to BOCFN3, PDB code: 3n1g was solved by J.M.Kavran, D.J.Leahy, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	24.65 / 1.90
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	87.210, 92.985, 74.684, 90.00, 90.00, 90.00
R / Rfree (%)	18.2 / 22.2

The structure of Crystal Structure of Dhhn Bound to BOCFN3 also contains other interesting chemical elements:

Magnesium	(Mg)	1 atom
Zinc	(Zn)	2 atoms

The binding sites of Calcium atom in the Crystal Structure of Dhhn Bound to BOCFN3 (pdb code 3n1g). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 4 binding sites of Calcium where determined in the Crystal Structure of Dhhn Bound to BOCFN3, PDB code: 3n1g:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in the Crystal Structure of Dhhn Bound to BOCFN3


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 Dhhn Bound to BOCFN3 within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca190 b:19.7 occ:1.00 OE2 B:GLU91 2.3 18.2 1.0 OD1 B:ASP130 2.3 18.9 1.0 OD2 B:ASP132 2.5 18.2 1.0 O B:HOH15 2.5 15.5 1.0 O B:HOH7 2.5 20.5 1.0 OE2 B:GLU127 2.6 17.1 1.0 OE1 B:GLU127 2.7 16.1 1.0 O B:HOH209 2.9 21.6 1.0 CD B:GLU127 3.0 15.0 1.0 CG B:ASP130 3.4 20.2 1.0 CD B:GLU91 3.5 20.7 1.0 CG B:ASP132 3.5 18.1 1.0 CG B:GLU91 3.9 19.2 1.0 CB B:ASP132 4.0 20.1 1.0 CB B:ASP130 4.0 14.3 1.0 CA B:CA191 4.0 17.7 1.0 OE2 B:GLU90 4.2 19.3 1.0 CA B:ASP130 4.2 16.2 1.0 NE2 B:HIS134 4.2 24.4 1.0 OD1 B:ASP96 4.4 17.2 1.0 OD2 B:ASP130 4.5 18.1 1.0 N B:ASP132 4.5 21.0 1.0 CG B:GLU127 4.5 21.7 1.0 OE1 B:GLU91 4.5 19.8 1.0 N B:GLU131 4.6 17.8 1.0 OD1 B:ASP132 4.6 19.8 1.0 O B:TRP129 4.6 18.1 1.0 O C:VAL804 4.8 19.2 1.0 CD2 B:HIS134 4.9 30.6 1.0 CA B:ASP132 4.9 15.6 1.0 NE2 B:HIS135 5.0 19.2 1.0 C B:ASP130 5.0 17.7 1.0

Calcium binding site 2 out of 4 in the Crystal Structure of Dhhn Bound to BOCFN3


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 Dhhn Bound to BOCFN3 within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca191 b:17.7 occ:1.00 O B:THR126 2.4 16.2 1.0 OE2 B:GLU90 2.4 19.3 1.0 OE2 B:GLU127 2.4 17.1 1.0 OD2 B:ASP96 2.5 19.3 1.0 OE1 B:GLU90 2.5 16.0 1.0 OD1 B:ASP96 2.5 17.2 1.0 OE2 B:GLU91 2.6 18.2 1.0 OE1 B:GLU91 2.7 19.8 1.0 CD B:GLU90 2.8 18.8 1.0 CG B:ASP96 2.8 16.4 1.0 CD B:GLU91 3.0 20.7 1.0 C B:THR126 3.5 18.5 1.0 CD B:GLU127 3.6 15.0 1.0 CA B:GLU127 3.9 20.1 1.0 O B:HOH15 3.9 15.5 1.0 CA B:CA190 4.0 19.7 1.0 O B:HOH7 4.1 20.5 1.0 N B:GLU127 4.1 18.2 1.0 CG B:GLU127 4.2 21.7 1.0 O B:HOH1 4.2 17.8 1.0 CG B:GLU90 4.3 14.7 1.0 CB B:ASP96 4.4 17.5 1.0 N B:ASP89 4.4 11.3 1.0 N B:GLU90 4.4 18.4 1.0 CG B:GLU91 4.4 19.2 1.0 CD1 C:ILE806 4.6 21.9 1.0 CB B:GLU127 4.6 20.0 1.0 OE1 B:GLU127 4.6 16.1 1.0 CA B:ASP89 4.7 16.9 1.0 CA B:THR126 4.7 13.6 1.0 CB B:LYS88 4.8 18.8 1.0 CG B:LYS88 5.0 16.6 1.0 CD B:LYS88 5.0 13.2 1.0 N B:GLU91 5.0 18.8 1.0

Calcium binding site 3 out of 4 in the Crystal Structure of Dhhn Bound to BOCFN3


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Crystal Structure of Dhhn Bound to BOCFN3 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca190 b:20.5 occ:1.00 OD1 A:ASP130 2.4 20.4 1.0 OE2 A:GLU91 2.4 15.3 1.0 O A:HOH16 2.5 17.7 1.0 OD2 A:ASP132 2.5 16.1 1.0 OE1 A:GLU127 2.6 21.2 1.0 O A:HOH8 2.7 16.1 1.0 OE2 A:GLU127 2.7 18.6 1.0 O A:HOH14 2.8 17.9 1.0 CD A:GLU127 3.0 18.5 1.0 CG A:ASP130 3.5 24.3 1.0 CD A:GLU91 3.5 18.7 1.0 CG A:ASP132 3.6 19.1 1.0 CG A:GLU91 3.8 19.4 1.0 CB A:ASP130 4.0 18.6 1.0 CB A:ASP132 4.0 17.3 1.0 CA A:CA192 4.0 16.8 1.0 OE2 A:GLU90 4.1 17.0 1.0 NE2 A:HIS134 4.2 20.4 1.0 CA A:ASP130 4.2 20.6 1.0 OD1 A:ASP96 4.5 18.2 1.0 OD2 A:ASP130 4.5 22.1 1.0 N A:ASP132 4.5 19.8 1.0 CG A:GLU127 4.5 23.1 1.0 OE1 A:GLU91 4.6 16.5 1.0 O A:TRP129 4.7 16.9 1.0 OD1 A:ASP132 4.7 20.6 1.0 O D:VAL804 4.7 18.2 1.0 N A:GLU131 4.7 19.6 1.0 CD2 A:HIS134 4.8 25.9 1.0 CA A:ASP132 4.9 18.2 1.0

Calcium binding site 4 out of 4 in the Crystal Structure of Dhhn Bound to BOCFN3


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Crystal Structure of Dhhn Bound to BOCFN3 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca192 b:16.8 occ:1.00 OE2 A:GLU127 2.3 18.6 1.0 O A:THR126 2.4 14.3 1.0 OD2 A:ASP96 2.5 17.1 1.0 OE2 A:GLU91 2.5 15.3 1.0 OE2 A:GLU90 2.5 17.0 1.0 OE1 A:GLU90 2.5 17.3 1.0 OD1 A:ASP96 2.6 18.2 1.0 CD A:GLU90 2.8 18.6 1.0 OE1 A:GLU91 2.8 16.5 1.0 CG A:ASP96 2.9 18.5 1.0 CD A:GLU91 3.0 18.7 1.0 C A:THR126 3.5 15.6 1.0 CD A:GLU127 3.5 18.5 1.0 CA A:GLU127 3.8 16.5 1.0 O A:HOH16 3.9 17.7 1.0 CA A:CA190 4.0 20.5 1.0 N A:GLU127 4.1 13.8 1.0 CG A:GLU127 4.2 23.1 1.0 O A:HOH8 4.2 16.1 1.0 CG A:GLU90 4.3 15.9 1.0 O A:HOH10 4.4 21.7 1.0 CB A:ASP96 4.4 13.4 1.0 CG A:GLU91 4.4 19.4 1.0 OE1 A:GLU127 4.5 21.2 1.0 N A:GLU90 4.5 21.9 1.0 N A:ASP89 4.5 14.0 1.0 CB A:GLU127 4.6 23.7 1.0 CD1 D:ILE806 4.6 17.1 1.0 CA A:THR126 4.7 13.0 1.0 CA A:ASP89 4.8 17.3 1.0 CB A:LYS88 4.9 17.1 1.0 N A:GLY128 5.0 23.0 1.0 C A:GLU127 5.0 21.1 1.0 CD A:LYS88 5.0 21.7 1.0

J.M.Kavran, M.D.Ward, O.O.Oladosu, S.Mulepati, D.J.Leahy. All Mammalian Hedgehog Proteins Interact with Cdo and Boc in A Conserved Manner. J.Biol.Chem. 2010.
ISSN: ESSN 1083-351X
PubMed: 20519495
DOI: 10.1074/JBC.M110.131680