Calcium in PDB 4wrc: Crystal Structure of Surfactant Protein-A Dedn Mutant (E171D/P175E/R197N/K203D)

The structure of Crystal Structure of Surfactant Protein-A Dedn Mutant (E171D/P175E/R197N/K203D), PDB code: 4wrc was solved by M.J.Rynkiewicz, H.Wu, T.R.Cafarella, N.M.Nikolaidis, J.F.Head, B.A.Seaton, F.X.Mccormack, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	13.64 / 1.80
Space group	H 3 2
Cell size a, b, c (Å), α, β, γ (°)	68.774, 68.774, 168.852, 90.00, 90.00, 120.00
R / Rfree (%)	20.5 / 24.3

The structure of Crystal Structure of Surfactant Protein-A Dedn Mutant (E171D/P175E/R197N/K203D) also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Calcium atom in the Crystal Structure of Surfactant Protein-A Dedn Mutant (E171D/P175E/R197N/K203D) (pdb code 4wrc). 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 Surfactant Protein-A Dedn Mutant (E171D/P175E/R197N/K203D), PDB code: 4wrc:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of Surfactant Protein-A Dedn Mutant (E171D/P175E/R197N/K203D)


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 Surfactant Protein-A Dedn Mutant (E171D/P175E/R197N/K203D) within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca502 b:33.3 occ:1.00 OD1 A:ASP215 2.3 34.3 1.0 O A:ASP215 2.4 32.8 1.0 OE1 A:GLU195 2.4 36.9 1.0 OD1 A:ASN214 2.4 40.0 1.0 OD1 A:ASN197 2.4 40.4 1.0 O A:HOH601 2.4 32.6 1.0 O A:HOH608 2.5 33.6 1.0 OE1 A:GLU202 2.5 47.9 1.0 CG A:ASP215 3.4 33.4 1.0 CD A:GLU195 3.4 46.2 1.0 C A:ASP215 3.4 30.9 1.0 CG A:ASN214 3.5 35.0 1.0 CD A:GLU202 3.5 49.7 1.0 CG A:ASN197 3.5 47.4 1.0 OE2 A:GLU195 3.8 39.7 1.0 N A:ASP215 3.8 30.1 1.0 OE2 A:GLU202 3.8 50.0 1.0 CA A:ASP215 4.0 29.8 1.0 ND2 A:ASN214 4.0 32.9 1.0 ND2 A:ASN197 4.1 44.9 1.0 OD2 A:ASP215 4.2 37.0 1.0 CB A:ASP215 4.3 30.8 1.0 N A:ASN197 4.4 39.3 1.0 N A:GLY198 4.4 40.0 1.0 CA A:GLY198 4.5 45.3 1.0 C A:ASN214 4.5 29.0 1.0 N A:ARG216 4.6 30.1 1.0 CB A:ASN197 4.7 47.9 1.0 CG A:GLU195 4.7 42.7 1.0 CB A:ASN214 4.7 31.0 1.0 C A:ASN197 4.8 43.7 1.0 CA A:ASN214 4.8 29.9 1.0 CG A:GLU202 4.9 46.2 1.0 CA A:ASN197 4.9 43.7 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of Surfactant Protein-A Dedn Mutant (E171D/P175E/R197N/K203D)


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 Surfactant Protein-A Dedn Mutant (E171D/P175E/R197N/K203D) within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca503 b:48.8 occ:0.66 OD2 A:ASP171 2.4 42.5 1.0 OE2 A:GLU175 2.4 73.7 1.0 OE1 A:GLU175 2.5 73.1 1.0 CD A:GLU175 2.8 73.8 1.0 O A:GLN199 3.0 82.6 1.0 O A:GLU202 3.1 44.1 1.0 CG A:ASP171 3.1 41.9 1.0 OD1 A:ASP171 3.3 48.8 1.0 C A:GLU202 3.9 42.2 1.0 OD2 A:ASP215 4.1 37.0 1.0 C A:GLN199 4.2 82.7 1.0 O A:GLY198 4.2 47.7 1.0 CG A:GLU175 4.3 75.5 1.0 C A:GLY198 4.3 53.3 1.0 N A:GLY176 4.4 63.3 1.0 OD1 A:ASP203 4.4 46.3 1.0 N A:GLU202 4.5 46.2 1.0 CZ A:PHE178 4.5 29.4 1.0 CA A:GLU202 4.5 41.0 1.0 CB A:GLU202 4.5 40.7 1.0 CA A:GLY198 4.5 45.3 1.0 CB A:ASP171 4.6 30.3 1.0 CA A:GLY200 4.7 78.7 1.0 N A:ASP203 4.8 36.3 1.0 C A:GLY200 4.8 72.9 1.0 N A:GLY200 4.9 83.8 1.0 N A:GLN199 4.9 65.4 1.0 CA A:ASP203 4.9 35.9 1.0 O A:GLY200 4.9 74.9 1.0 CE1 A:PHE178 5.0 31.5 1.0

M.J.Rynkiewicz, H.Wu, T.R.Cafarella, N.M.Nikolaidis, J.F.Head, B.A.Seaton, F.X.Mccormack. Differential Ligand Binding Specificities of the Pulmonary Collectins Are Determined By the Conformational Freedom of A Surface Loop To Be Published.