Calcium in PDB 2wfx: Crystal Structure of the Complex Between Human Hedgehog- Interacting Protein Hip and Sonic Hedgehog in the Presence of Calcium

The structure of Crystal Structure of the Complex Between Human Hedgehog- Interacting Protein Hip and Sonic Hedgehog in the Presence of Calcium, PDB code: 2wfx 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)	19.774 / 3.20
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	89.150, 89.150, 171.429, 90.00, 90.00, 120.00
R / Rfree (%)	24 / 30.03

The structure of Crystal Structure of the Complex Between Human Hedgehog- Interacting Protein Hip and Sonic Hedgehog in the Presence of Calcium also contains other interesting chemical elements:

Zinc	(Zn)	1 atom
Sodium	(Na)	3 atoms

The binding sites of Calcium atom in the Crystal Structure of the Complex Between Human Hedgehog- Interacting Protein Hip and Sonic Hedgehog in the Presence of Calcium (pdb code 2wfx). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 3 binding sites of Calcium where determined in the Crystal Structure of the Complex Between Human Hedgehog- Interacting Protein Hip and Sonic Hedgehog in the Presence of Calcium, PDB code: 2wfx:
Jump to Calcium binding site number: 1; 2; 3;

Calcium binding site 1 out of 3 in the Crystal Structure of the Complex Between Human Hedgehog- Interacting Protein Hip and Sonic Hedgehog in the Presence of 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 Complex Between Human Hedgehog- Interacting Protein Hip and Sonic Hedgehog in the Presence of Calcium within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1193 b:71.9 occ:1.00 OE2 A:GLU90 2.3 92.1 1.0 OD2 A:ASP96 2.4 90.5 1.0 OE1 A:GLU91 2.4 0.6 1.0 O A:THR126 2.4 64.8 1.0 OE1 A:GLU127 2.4 61.8 1.0 OE1 A:GLU90 2.6 95.2 1.0 CD A:GLU90 2.7 94.0 1.0 OD1 A:ASP96 2.8 90.7 1.0 OE2 A:GLU91 2.9 0.8 1.0 CG A:ASP96 2.9 90.1 1.0 CD A:GLU91 2.9 0.6 1.0 CD A:GLU127 3.5 60.2 1.0 C A:THR126 3.6 61.6 1.0 CA A:GLU127 3.9 52.3 1.0 CG A:GLU90 4.1 92.5 1.0 N A:GLU127 4.2 52.3 1.0 OE2 A:GLU127 4.2 61.4 1.0 N A:GLU90 4.2 87.6 1.0 CA A:CA1194 4.3 89.8 1.0 CG A:GLU91 4.3 0.9 1.0 CB A:ASP96 4.4 87.7 1.0 CB A:GLU127 4.4 48.2 1.0 CG A:GLU127 4.5 54.8 1.0 N A:ASP89 4.5 77.1 1.0 CA A:ASP89 4.6 83.8 1.0 OE2 B:GLU381 4.7 67.9 1.0 CA A:THR126 4.7 58.7 1.0 CB B:GLU381 4.8 64.8 1.0 C A:ASP89 4.9 84.3 1.0 CB A:GLU90 4.9 89.4 1.0 N A:GLU91 4.9 97.6 1.0

Calcium binding site 2 out of 3 in the Crystal Structure of the Complex Between Human Hedgehog- Interacting Protein Hip and Sonic Hedgehog in the Presence of 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 Complex Between Human Hedgehog- Interacting Protein Hip and Sonic Hedgehog in the Presence of Calcium within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1194 b:89.8 occ:1.00 OE2 A:GLU127 2.3 61.4 1.0 OE1 A:GLU91 2.4 0.6 1.0 OD1 A:ASP130 2.4 0.3 1.0 CD A:GLU127 3.2 60.2 1.0 CD A:GLU91 3.3 0.6 1.0 OE1 A:GLU127 3.5 61.8 1.0 CG A:ASP130 3.5 0.0 1.0 CG A:GLU91 3.6 0.9 1.0 ND1 A:HIS134 4.0 0.5 1.0 OD2 A:ASP130 4.2 98.5 1.0 CE1 A:HIS134 4.3 0.9 1.0 CA A:CA1193 4.3 71.9 1.0 OE2 A:GLU90 4.3 92.1 1.0 CB A:ASP130 4.4 95.0 1.0 OE2 A:GLU91 4.4 0.8 1.0 CG A:HIS134 4.4 0.1 1.0 CG A:GLU127 4.5 54.8 1.0 OD1 A:ASP96 4.7 90.7 1.0 CA A:ASP130 4.8 91.2 1.0 NE2 A:HIS134 4.8 0.7 1.0 CD2 A:HIS134 4.9 0.3 1.0 CB A:GLU91 4.9 0.1 1.0 CB A:HIS134 4.9 0.3 1.0

Calcium binding site 3 out of 3 in the Crystal Structure of the Complex Between Human Hedgehog- Interacting Protein Hip and Sonic Hedgehog in the Presence of Calcium


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 the Complex Between Human Hedgehog- Interacting Protein Hip and Sonic Hedgehog in the Presence of Calcium within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca1670 b:72.5 occ:1.00 O B:GLY354 3.1 65.5 1.0 O B:PRO432 4.1 75.6 1.0 C B:GLY354 4.2 58.6 1.0 OE2 B:GLU281 4.6 62.1 1.0 CA B:GLY433 4.8 74.7 1.0 C B:GLY433 4.9 71.2 1.0 N B:GLY354 5.0 52.6 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