Calcium in PDB 3paq: Surfactant Protein A Neck and Carbohydrate Recognition Domain (Ncrd) Complexed with Alpha-Methylmannose

The structure of Surfactant Protein A Neck and Carbohydrate Recognition Domain (Ncrd) Complexed with Alpha-Methylmannose, PDB code: 3paq was solved by F.Shang, M.J.Rynkiewicz, F.X.Mccormack, H.Wu, T.M.Cafarella, J.Head, B.A.Seaton, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.73 / 2.10
Space group	P 63
Cell size a, b, c (Å), α, β, γ (°)	97.452, 97.452, 44.848, 90.00, 90.00, 120.00
R / Rfree (%)	22.3 / 24.4

The structure of Surfactant Protein A Neck and Carbohydrate Recognition Domain (Ncrd) Complexed with Alpha-Methylmannose also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Calcium atom in the Surfactant Protein A Neck and Carbohydrate Recognition Domain (Ncrd) Complexed with Alpha-Methylmannose (pdb code 3paq). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total only one binding site of Calcium was determined in the Surfactant Protein A Neck and Carbohydrate Recognition Domain (Ncrd) Complexed with Alpha-Methylmannose, PDB code: 3paq:

Calcium binding site 1 out of 1 in the Surfactant Protein A Neck and Carbohydrate Recognition Domain (Ncrd) Complexed with Alpha-Methylmannose


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Surfactant Protein A Neck and Carbohydrate Recognition Domain (Ncrd) Complexed with Alpha-Methylmannose within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca300 b:37.7 occ:1.00 OD1 A:ASP215 2.3 41.0 1.0 O3 A:MMA501 2.3 59.8 1.0 O4 A:MMA501 2.4 61.2 1.0 OE1 A:GLU195 2.4 32.1 1.0 OD1 A:ASN214 2.5 36.2 1.0 O A:ASP215 2.5 37.2 1.0 O A:HOH532 2.6 44.7 1.0 OE1 A:GLU202 3.0 51.7 1.0 C4 A:MMA501 3.1 63.3 1.0 C3 A:MMA501 3.1 62.2 1.0 CG A:ASP215 3.2 41.9 1.0 CD A:GLU195 3.3 31.9 1.0 CG A:ASN214 3.5 37.0 1.0 C A:ASP215 3.6 39.0 1.0 OE2 A:GLU195 3.6 35.5 1.0 N A:ASP215 3.7 36.5 1.0 OD2 A:ASP215 3.8 42.0 1.0 CD A:GLU202 3.9 51.9 1.0 ND2 A:ASN214 4.0 35.8 1.0 CA A:ASP215 4.0 38.2 1.0 CB A:ASP215 4.2 39.0 1.0 OE2 A:GLU202 4.3 52.8 1.0 N A:ARG197 4.3 44.4 1.0 C A:ASN214 4.4 34.5 1.0 C2 A:MMA501 4.5 63.6 1.0 C5 A:MMA501 4.5 64.7 1.0 CG A:GLU195 4.6 32.9 1.0 N A:GLY198 4.6 54.2 1.0 CB A:ASN214 4.7 33.2 1.0 CG A:ARG197 4.7 49.2 1.0 CA A:ASN214 4.7 33.5 1.0 N A:ARG216 4.8 40.6 1.0 O2 A:MMA501 4.8 62.8 1.0 C A:ARG197 4.8 51.6 1.0

F.Shang, M.J.Rynkiewicz, F.X.Mccormack, H.Wu, T.M.Cafarella, J.F.Head, B.A.Seaton. Crystallographic Complexes of Surfactant Protein A and Carbohydrates Reveal Ligand-Induced Conformational Change. J.Biol.Chem. V. 286 757 2011.
ISSN: ISSN 0021-9258
PubMed: 21047777
DOI: 10.1074/JBC.M110.175265