Calcium in PDB 3ho5: Crystal Structure of Hedgehog-Interacting Protein (Hhip) and Sonic Hedgehog (Shh) Complex

The structure of Crystal Structure of Hedgehog-Interacting Protein (Hhip) and Sonic Hedgehog (Shh) Complex, PDB code: 3ho5 was solved by S.G.Hymowitz, I.Bosanac, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 3.01
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	101.618, 101.618, 302.830, 90.00, 90.00, 120.00
R / Rfree (%)	23.1 / 28.7

The structure of Crystal Structure of Hedgehog-Interacting Protein (Hhip) and Sonic Hedgehog (Shh) Complex also contains other interesting chemical elements:

Zinc

(Zn)

2 atoms

The binding sites of Calcium atom in the Crystal Structure of Hedgehog-Interacting Protein (Hhip) and Sonic Hedgehog (Shh) Complex (pdb code 3ho5). 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 Hedgehog-Interacting Protein (Hhip) and Sonic Hedgehog (Shh) Complex, PDB code: 3ho5:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of Hedgehog-Interacting Protein (Hhip) and Sonic Hedgehog (Shh) Complex


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 Hedgehog-Interacting Protein (Hhip) and Sonic Hedgehog (Shh) Complex within 5.0Å range: probe atom residue distance (Å) B Occ H:Ca401 b:90.6 occ:1.00 OD2 H:ASP95 2.3 91.2 1.0 OD1 H:ASP95 2.3 91.0 1.0 OE1 H:GLU89 2.3 91.4 1.0 OE2 H:GLU126 2.3 91.4 1.0 OE2 H:GLU89 2.3 91.5 1.0 OE1 H:GLU90 2.3 91.8 1.0 OE2 H:GLU90 2.3 91.2 1.0 O H:THR125 2.4 85.2 1.0 CD H:GLU90 2.6 91.3 1.0 CD H:GLU89 2.6 91.9 1.0 CG H:ASP95 2.7 91.0 1.0 CD H:GLU126 3.4 89.6 1.0 C H:THR125 3.5 81.8 1.0 CA H:CA402 3.9 91.8 1.0 CG H:GLU126 4.0 87.5 1.0 CA H:GLU126 4.0 82.5 1.0 CG H:GLU90 4.0 90.9 1.0 CG H:GLU89 4.1 91.4 1.0 CB H:ASP95 4.2 90.5 1.0 N H:GLU126 4.2 81.4 1.0 OE1 H:GLU126 4.4 90.0 1.0 N H:GLU89 4.5 88.7 1.0 CB H:GLU126 4.6 84.8 1.0 CG B:GLU381 4.7 92.2 1.0 CA H:THR125 4.7 80.6 1.0 N H:ASP88 4.8 81.5 1.0 N H:GLU90 4.9 90.0 1.0 CA H:ASP88 4.9 84.9 1.0 CB H:GLU89 5.0 90.8 1.0 CB B:GLU381 5.0 93.6 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of Hedgehog-Interacting Protein (Hhip) and Sonic Hedgehog (Shh) Complex


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 Hedgehog-Interacting Protein (Hhip) and Sonic Hedgehog (Shh) Complex within 5.0Å range: probe atom residue distance (Å) B Occ H:Ca402 b:91.8 occ:1.00 OD1 H:ASP129 2.3 85.9 1.0 OE1 H:GLU126 2.3 90.0 1.0 OE2 H:GLU126 2.3 91.4 1.0 OE2 H:GLU90 2.3 91.2 1.0 OD2 H:ASP131 2.3 89.6 1.0 CD H:GLU126 2.6 89.6 1.0 CD H:GLU90 3.4 91.3 1.0 CG H:ASP129 3.5 82.7 1.0 CG H:ASP131 3.6 87.2 1.0 CG H:GLU90 3.8 90.9 1.0 CA H:CA401 3.9 90.6 1.0 OE2 H:GLU89 4.0 91.5 1.0 CB H:ASP129 4.1 81.4 1.0 CG H:GLU126 4.2 87.5 1.0 CA H:ASP129 4.2 79.2 1.0 OD1 H:ASP95 4.3 91.0 1.0 CB H:ASP131 4.4 85.1 1.0 OE1 H:GLU90 4.4 91.8 1.0 O H:TRP128 4.4 76.6 1.0 OD1 H:ASP131 4.4 87.5 1.0 OD2 H:ASP129 4.5 81.3 1.0 ND1 H:HIS133 4.7 67.9 1.0 N H:GLU130 4.9 80.9 1.0 NE2 H:HIS134 5.0 79.4 1.0 N H:ASP131 5.0 83.9 1.0

I.Bosanac, H.R.Maun, S.J.Scales, X.Wen, A.Lingel, J.F.Bazan, F.J.De Sauvage, S.G.Hymowitz, R.A.Lazarus. The Structure of Shh in Complex with Hhip Reveals A Recognition Role For the Shh Pseudo Active Site in Signaling. Nat.Struct.Mol.Biol. V. 16 691 2009.
ISSN: ISSN 1545-9993
PubMed: 19561609
DOI: 10.1038/NSMB.1632