Calcium in PDB 4wr9: Crystal Structure of Surfactant Protein-A Ded Mutant (E171D/P175E/K203D)

The structure of Crystal Structure of Surfactant Protein-A Ded Mutant (E171D/P175E/K203D), PDB code: 4wr9 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)	14.65 / 2.30
Space group	P 63
Cell size a, b, c (Å), α, β, γ (°)	97.190, 97.190, 44.629, 90.00, 90.00, 120.00
R / Rfree (%)	16.5 / 20

The binding sites of Calcium atom in the Crystal Structure of Surfactant Protein-A Ded Mutant (E171D/P175E/K203D) (pdb code 4wr9). 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 Surfactant Protein-A Ded Mutant (E171D/P175E/K203D), PDB code: 4wr9:
Jump to Calcium binding site number: 1; 2; 3;

Calcium binding site 1 out of 3 in the Crystal Structure of Surfactant Protein-A Ded Mutant (E171D/P175E/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 Ded Mutant (E171D/P175E/K203D) within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca301 b:43.8 occ:1.00 OD1 A:ASP215 2.3 49.9 1.0 OD1 A:ASN214 2.3 44.4 1.0 O A:HOH435 2.4 43.5 1.0 O A:HOH408 2.4 43.6 1.0 OE1 A:GLU195 2.5 42.0 1.0 O A:ASP215 2.5 43.0 1.0 O A:ARG197 3.1 83.7 1.0 OE1 A:GLU202 3.1 73.3 1.0 CG A:ASN214 3.3 41.6 1.0 CD A:GLU195 3.4 40.8 1.0 CG A:ASP215 3.4 46.8 1.0 C A:ASP215 3.6 42.9 1.0 N A:ASP215 3.6 40.1 1.0 OE2 A:GLU195 3.7 43.4 1.0 ND2 A:ASN214 3.9 37.6 1.0 CA A:ASP215 4.0 43.7 1.0 OD2 A:ASP215 4.1 47.5 1.0 CD A:GLU202 4.2 74.9 1.0 C A:ARG197 4.2 79.2 1.0 N A:ARG197 4.3 41.5 1.0 CB A:ASP215 4.3 35.0 1.0 C A:ASN214 4.4 38.9 1.0 OE2 A:GLU202 4.6 75.5 1.0 CB A:ASN214 4.6 32.8 1.0 CG A:GLU195 4.6 36.6 1.0 CG A:ARG197 4.7 54.9 1.0 CA A:ASN214 4.7 35.4 1.0 N A:ARG216 4.8 48.7 1.0 CA A:ARG197 4.8 60.2 1.0

Calcium binding site 2 out of 3 in the Crystal Structure of Surfactant Protein-A Ded Mutant (E171D/P175E/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 Ded Mutant (E171D/P175E/K203D) within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca302 b:78.8 occ:1.00 O A:GLU202 2.4 74.0 1.0 OD2 A:ASP171 2.5 77.7 1.0 OD1 A:ASP171 2.5 85.6 1.0 O A:GLN199 2.6 95.8 1.0 CG A:ASP171 2.8 79.0 1.0 OE2 A:GLU175 3.1 89.0 1.0 OD1 A:ASP203 3.2 74.2 1.0 C A:GLU202 3.3 70.0 1.0 C A:GLN199 3.3 0.5 1.0 OE1 A:GLU175 3.4 0.0 1.0 CD A:GLU175 3.6 96.0 1.0 CA A:ASP203 3.8 56.7 1.0 N A:ASP203 3.9 61.1 1.0 N A:GLY200 4.1 0.2 1.0 CA A:GLY200 4.1 0.0 1.0 CZ A:PHE178 4.1 48.2 1.0 CA A:GLN199 4.2 0.8 1.0 CG A:ASP203 4.3 78.1 1.0 CB A:ASP171 4.3 71.9 1.0 CA A:GLU202 4.3 72.4 1.0 N A:GLU202 4.4 76.2 1.0 CA A:CA303 4.5 97.5 1.0 OD2 A:ASP215 4.6 47.5 1.0 CB A:ASP203 4.6 68.4 1.0 C A:GLY200 4.6 0.8 1.0 CE1 A:PHE178 4.6 50.7 1.0 CB A:GLU202 4.8 72.5 1.0 CE2 A:PHE178 4.8 43.0 1.0 C A:ASP203 4.8 49.4 1.0 N A:GLY176 4.9 82.8 1.0 O A:ASP171 5.0 85.6 1.0

Calcium binding site 3 out of 3 in the Crystal Structure of Surfactant Protein-A Ded Mutant (E171D/P175E/K203D)


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 Surfactant Protein-A Ded Mutant (E171D/P175E/K203D) within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca303 b:97.5 occ:1.00 OD1 A:ASP203 2.3 74.2 1.0 O A:GLY200 2.6 0.6 1.0 OD2 A:ASP203 2.8 90.7 1.0 CG A:ASP203 2.9 78.1 1.0 OE1 A:GLU175 3.1 0.0 1.0 C A:GLY200 3.3 0.8 1.0 CA A:GLY200 3.3 0.0 1.0 CD A:GLU175 4.3 96.0 1.0 CB A:ASP203 4.4 68.4 1.0 CA A:CA302 4.5 78.8 1.0 N A:LYS201 4.6 97.2 1.0 O A:ASP171 4.6 85.6 1.0 N A:GLY200 4.7 0.2 1.0 OD1 A:ASP171 4.7 85.6 1.0 CA A:ASP172 4.9 89.8 1.0 O A:ASP172 4.9 98.5 1.0 O A:GLN199 4.9 95.8 1.0 OE2 A:GLU175 4.9 89.0 1.0 OD2 A:ASP171 5.0 77.7 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.