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

The structure of Crystal Structure of Surfactant Protein-A Ded Mutant (E171D/P175E/K203D) Complexed with Inositol, PDB code: 4wuw 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)	14.70 / 2.40
Space group	P 63
Cell size a, b, c (Å), α, β, γ (°)	97.699, 97.699, 45.027, 90.00, 90.00, 120.00
R / Rfree (%)	17.4 / 20.4

The binding sites of Calcium atom in the Crystal Structure of Surfactant Protein-A Ded Mutant (E171D/P175E/K203D) Complexed with Inositol (pdb code 4wuw). 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 Inositol, PDB code: 4wuw:
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 Inositol


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 Inositol within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca502 b:52.5 occ:1.00 O1 A:INS501 2.2 61.2 0.9 OD1 A:ASP215 2.2 46.2 1.0 OD1 A:ASN214 2.5 53.4 1.0 OE1 A:GLU195 2.5 46.0 1.0 O A:ASP215 2.6 52.6 1.0 O6 A:INS501 2.6 68.7 0.9 O A:ARG197 2.7 68.7 1.0 C1 A:INS501 2.9 67.7 0.9 C6 A:INS501 3.0 68.6 0.9 CG A:ASP215 3.3 48.0 1.0 OE1 A:GLU202 3.3 67.6 1.0 CD A:GLU195 3.3 45.2 1.0 CG A:ASN214 3.5 47.8 1.0 C A:ASP215 3.6 47.5 1.0 OE2 A:GLU195 3.6 42.7 1.0 N A:ASP215 3.8 39.3 1.0 C A:ARG197 3.8 68.2 1.0 OD2 A:ASP215 4.0 52.4 1.0 ND2 A:ASN214 4.0 42.0 1.0 N A:ARG197 4.0 49.8 1.0 CD A:GLU202 4.0 69.2 1.0 CA A:ASP215 4.0 41.8 1.0 OE2 A:GLU202 4.1 66.4 1.0 CB A:ASP215 4.3 42.7 1.0 C2 A:INS501 4.3 73.0 0.9 C5 A:INS501 4.5 73.8 0.9 CA A:ARG197 4.6 56.7 1.0 C A:ASN214 4.6 41.0 1.0 CG A:GLU195 4.6 39.3 1.0 O2 A:INS501 4.7 70.6 0.9 CG A:ARG197 4.8 52.1 1.0 N A:ARG216 4.8 49.4 1.0 CB A:ASN214 4.8 37.1 1.0 N A:GLY198 4.8 78.4 1.0 CA A:ASN214 4.9 36.3 1.0 CA A:GLY198 4.9 86.4 1.0

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


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 Inositol within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca503 b:78.9 occ:0.53 O A:GLU202 2.5 66.2 1.0 OE1 A:GLU175 2.5 0.5 1.0 OD2 A:ASP171 3.1 83.1 1.0 OD2 A:ASP215 3.3 52.4 1.0 C A:GLU202 3.5 69.5 1.0 OD1 A:ASP171 3.7 81.4 1.0 CD A:GLU175 3.8 0.1 1.0 CG A:ASP171 3.8 80.7 1.0 N A:GLU202 4.0 83.3 1.0 CB A:GLU202 4.0 73.9 1.0 CA A:GLU202 4.0 76.0 1.0 CZ A:PHE178 4.2 55.2 1.0 O A:GLN199 4.3 0.1 1.0 CG A:ASP215 4.3 48.0 1.0 O A:GLY200 4.5 0.8 1.0 CB A:ASP215 4.5 42.7 1.0 OE2 A:GLU175 4.6 0.1 1.0 C A:GLN199 4.6 0.1 1.0 CB A:GLU175 4.6 0.1 1.0 N A:ASP203 4.6 65.0 1.0 CG A:GLU175 4.7 1.0 1.0 N A:GLY200 4.7 0.1 1.0 CE1 A:PHE178 4.8 55.7 1.0 N A:GLY176 4.9 89.2 1.0 CA A:ASP203 4.9 61.2 1.0 CE2 A:PHE178 5.0 49.7 1.0 CA A:GLU175 5.0 99.7 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.