Calcium in PDB 2wfr: Crystal Structure of the N-Terminal Signalling Domain of Human Dhh with Calcium

The structure of Crystal Structure of the N-Terminal Signalling Domain of Human Dhh with Calcium, PDB code: 2wfr was solved by B.Bishop, A.R.Aricescu, K.Harlos, C.A.O'callaghan, E.Y.Jones, C.Siebold, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	41.88 / 1.95
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	40.130, 41.880, 83.780, 90.00, 90.00, 90.00
R / Rfree (%)	17.977 / 22.487

The structure of Crystal Structure of the N-Terminal Signalling Domain of Human Dhh with Calcium also contains other interesting chemical elements:

Zinc

(Zn)

1 atom

The binding sites of Calcium atom in the Crystal Structure of the N-Terminal Signalling Domain of Human Dhh with Calcium (pdb code 2wfr). 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 the N-Terminal Signalling Domain of Human Dhh with Calcium, PDB code: 2wfr:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of the N-Terminal Signalling Domain of Human Dhh with Calcium


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 the N-Terminal Signalling Domain of Human Dhh with Calcium within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1205 b:46.6 occ:1.00 OD2 A:ASP96 2.4 20.1 1.0 OE1 A:GLU90 2.5 29.2 1.0 O A:THR126 2.5 12.6 1.0 OE2 A:GLU91 2.6 25.6 1.0 OE1 A:GLU91 2.7 25.0 1.0 OE2 A:GLU90 2.7 29.6 1.0 OE1 A:GLU127 2.7 18.5 1.0 OD1 A:ASP96 2.8 18.9 1.0 CD A:GLU90 2.9 26.9 1.0 CG A:ASP96 2.9 19.1 1.0 CD A:GLU91 3.0 24.1 1.0 C A:THR126 3.6 13.3 1.0 CD A:GLU127 3.8 19.0 1.0 CA A:GLU127 3.8 14.8 1.0 N A:GLU127 4.1 14.3 1.0 CG A:GLU90 4.3 24.0 1.0 N A:GLU90 4.4 20.8 1.0 CB A:ASP96 4.4 16.8 1.0 O A:HOH2036 4.5 16.8 1.0 CB A:GLU127 4.5 16.1 1.0 CA A:CA1206 4.5 90.0 1.0 CG A:GLU91 4.5 24.5 1.0 N A:ASP89 4.6 17.7 1.0 OE2 A:GLU127 4.6 21.3 1.0 CG A:GLU127 4.7 16.9 1.0 CA A:THR126 4.7 12.4 1.0 CA A:ASP89 4.8 19.1 1.0 N A:GLU91 4.9 22.1 1.0 C A:GLU127 5.0 14.8 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of the N-Terminal Signalling Domain of Human Dhh with Calcium


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 the N-Terminal Signalling Domain of Human Dhh with Calcium within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1206 b:90.0 occ:1.00 OE2 A:GLU91 2.6 25.6 1.0 OE2 A:GLU127 2.6 21.3 1.0 OD1 A:ASP130 2.8 23.4 1.0 O A:HOH2062 3.2 23.2 1.0 OE1 A:GLU127 3.2 18.5 1.0 CD A:GLU127 3.3 19.0 1.0 CD A:GLU91 3.6 24.1 1.0 CG A:ASP130 3.6 21.6 1.0 CG A:GLU91 4.0 24.5 1.0 CB A:ASP130 4.1 21.5 1.0 CA A:ASP130 4.2 21.6 1.0 OD2 A:ASP132 4.4 33.6 1.0 CA A:CA1205 4.5 46.6 1.0 OD2 A:ASP130 4.6 20.3 1.0 ND1 A:HIS134 4.6 32.6 1.0 O A:TRP129 4.7 16.3 1.0 CG A:GLU127 4.7 16.9 1.0 OE1 A:GLU91 4.7 25.0 1.0 OD1 A:ASP96 4.7 18.9 1.0 OE2 A:GLU90 4.8 29.6 1.0

B.Bishop, A.R.Aricescu, K.Harlos, C.A.O'callaghan, E.Y.Jones, C.Siebold. Structural Insights Into Hedgehog Ligand Sequestration By the Human Hedgehog-Interacting Protein Hip Nat.Struct.Mol.Biol. V. 16 698 2009.
ISSN: ISSN 1545-9993
PubMed: 19561611
DOI: 10.1038/NSMB.1607