Calcium in PDB 4wux: Crystal Structure of Surfactant Protein-A Ded Mutant (E171D/P175E/K203D) Complexed with Mannose

The structure of Crystal Structure of Surfactant Protein-A Ded Mutant (E171D/P175E/K203D) Complexed with Mannose, PDB code: 4wux 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)	14.96 / 1.90
Space group	P 63
Cell size a, b, c (Å), α, β, γ (°)	96.944, 96.944, 44.994, 90.00, 90.00, 120.00
R / Rfree (%)	17.2 / 20.2

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

Calcium binding site 1 out of 2 in the Crystal Structure of Surfactant Protein-A Ded Mutant (E171D/P175E/K203D) Complexed with Mannose


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 Ded Mutant (E171D/P175E/K203D) Complexed with Mannose within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca304 b:37.0 occ:0.92 OD1 A:ASP215 2.3 50.1 1.0 OD1 A:ASN214 2.3 43.9 1.0 OE1 A:GLU195 2.4 41.7 1.0 O3 A:MAN301 2.5 35.5 0.9 OE1 A:GLU202 2.5 53.1 1.0 O A:ASP215 2.5 39.8 1.0 O4 A:MAN301 2.5 31.2 0.9 O A:ARG197 2.5 49.0 1.0 C4 A:MAN301 3.2 36.0 0.9 C3 A:MAN301 3.3 36.1 0.9 CG A:ASP215 3.3 47.4 1.0 CG A:ASN214 3.4 36.4 1.0 CD A:GLU195 3.4 44.9 1.0 CD A:GLU202 3.5 56.8 1.0 C A:ASP215 3.5 45.2 1.0 N A:ASP215 3.7 39.8 1.0 C A:ARG197 3.7 60.1 1.0 OE2 A:GLU195 3.8 41.1 1.0 OE2 A:GLU202 3.8 49.2 1.0 ND2 A:ASN214 3.9 39.3 1.0 CA A:ASP215 4.0 48.1 1.0 N A:ARG197 4.0 45.5 1.0 OD2 A:ASP215 4.1 46.1 1.0 O A:HOH477 4.2 57.0 1.0 CB A:ASP215 4.2 48.0 1.0 C A:ASN214 4.4 38.5 1.0 CA A:ARG197 4.5 48.8 1.0 C5 A:MAN301 4.6 49.0 0.9 CB A:ASN214 4.6 37.9 1.0 N A:ARG216 4.6 44.1 1.0 CG A:GLU195 4.7 39.4 1.0 C2 A:MAN301 4.7 41.3 0.9 N A:GLY198 4.7 67.8 1.0 CG A:GLU202 4.8 65.7 1.0 CA A:ASN214 4.8 36.0 1.0 CA A:GLY198 4.9 77.2 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of Surfactant Protein-A Ded Mutant (E171D/P175E/K203D) Complexed with Mannose


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 Ded Mutant (E171D/P175E/K203D) Complexed with Mannose within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca305 b:72.5 occ:0.64 OE1 A:GLN199 2.6 88.2 1.0 OD2 A:ASP171 2.7 68.3 1.0 OD2 A:ASP215 2.7 46.1 1.0 O A:GLU202 3.3 49.2 1.0 CG A:ASP171 3.7 68.5 1.0 CD A:GLN199 3.7 91.0 1.0 O A:HOH477 3.7 57.0 1.0 CG A:ASP215 3.8 47.4 1.0 CZ A:PHE178 3.9 44.8 1.0 OD1 A:ASP171 4.0 60.3 1.0 N A:GLY176 4.1 69.4 1.0 CB A:ASP215 4.2 48.0 1.0 CB A:GLN199 4.3 57.1 1.0 C A:GLU202 4.3 52.9 1.0 CE1 A:PHE178 4.3 54.4 1.0 CB A:GLU202 4.4 63.4 1.0 CB A:GLU175 4.4 85.8 1.0 CG A:GLU175 4.5 88.3 1.0 CG A:GLN199 4.5 80.4 1.0 N A:GLU202 4.6 57.5 1.0 CB A:PRO196 4.6 56.6 1.0 CA A:GLU202 4.6 47.7 1.0 CA A:GLU175 4.7 83.2 1.0 NE2 A:GLN199 4.7 97.7 1.0 CA A:GLY176 4.8 77.1 1.0 C A:GLU175 4.8 75.1 1.0 CE2 A:PHE178 4.9 42.4 1.0 OD1 A:ASP215 4.9 50.1 1.0 CA A:GLN199 5.0 56.6 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.