Calcium in PDB 6pzf: Crystal Structure of Human Na-63 Fab in Complex with Neuraminidase From A/Hunan/02650/2016(H7N9)

All present enzymatic activity of Crystal Structure of Human Na-63 Fab in Complex with Neuraminidase From A/Hunan/02650/2016(H7N9):
3.2.1.18;

The structure of Crystal Structure of Human Na-63 Fab in Complex with Neuraminidase From A/Hunan/02650/2016(H7N9), PDB code: 6pzf was solved by X.Zhu, I.A.Wilson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.80 / 2.80
Space group	P 4 21 2
Cell size a, b, c (Å), α, β, γ (°)	164.576, 164.576, 192.575, 90.00, 90.00, 90.00
R / Rfree (%)	20.3 / 24.9

The binding sites of Calcium atom in the Crystal Structure of Human Na-63 Fab in Complex with Neuraminidase From A/Hunan/02650/2016(H7N9) (pdb code 6pzf). 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 Human Na-63 Fab in Complex with Neuraminidase From A/Hunan/02650/2016(H7N9), PDB code: 6pzf:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of Human Na-63 Fab in Complex with Neuraminidase From A/Hunan/02650/2016(H7N9)


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 Human Na-63 Fab in Complex with Neuraminidase From A/Hunan/02650/2016(H7N9) within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca514 b:85.9 occ:1.00 O B:ASP293 2.3 53.1 1.0 O B:GLY297 2.4 72.2 1.0 O B:ASN347 2.4 65.4 1.0 O B:HOH615 2.5 47.6 1.0 OD2 B:ASP324 2.8 55.4 1.0 C B:ASP293 3.4 52.5 1.0 C B:ASN347 3.5 60.3 1.0 C B:GLY297 3.6 63.5 1.0 CA B:ASN294 3.7 61.4 1.0 C B:ASN294 4.0 62.0 1.0 CA B:GLY348 4.0 49.2 1.0 N B:ASN294 4.0 63.4 1.0 CG B:ASP324 4.0 54.8 1.0 O B:ASN294 4.1 61.6 1.0 N B:GLY348 4.2 52.2 1.0 N B:GLY297 4.2 67.0 1.0 OD1 B:ASP293 4.4 70.8 1.0 CA B:GLY297 4.4 64.2 1.0 O B:ASN344 4.4 66.0 1.0 N B:ASN347 4.5 64.0 1.0 N B:SER298 4.6 60.8 1.0 N B:TRP295 4.7 62.9 1.0 CA B:ASN347 4.7 62.6 1.0 CA B:ASP293 4.7 51.8 1.0 OD1 B:ASP324 4.7 50.3 1.0 CA B:SER298 4.8 57.1 1.0 C B:GLN296 4.9 66.5 1.0 CB B:ASP293 5.0 68.2 1.0 CB B:ASN294 5.0 53.0 1.0 CB B:ASP324 5.0 57.2 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of Human Na-63 Fab in Complex with Neuraminidase From A/Hunan/02650/2016(H7N9)


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 Human Na-63 Fab in Complex with Neuraminidase From A/Hunan/02650/2016(H7N9) within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca512 b:0.3 occ:1.00 O A:ASN347 2.4 64.0 1.0 O A:GLY297 2.6 67.2 1.0 OD2 A:ASP324 3.2 78.0 1.0 O A:ASP293 3.3 64.4 1.0 C A:ASN347 3.4 63.7 1.0 C A:GLY297 3.6 69.5 1.0 O A:ASN344 3.8 68.8 1.0 N A:GLY348 4.1 60.8 1.0 N A:ASN347 4.2 71.6 1.0 CA A:GLY348 4.2 60.7 1.0 O A:ASN294 4.2 71.7 1.0 CA A:ASN347 4.3 68.9 1.0 CG A:ASP324 4.3 74.5 1.0 OG A:SER298 4.4 61.9 1.0 N A:GLY297 4.4 77.2 1.0 N A:SER298 4.4 67.1 1.0 C A:ASN294 4.4 70.6 1.0 C A:ASP293 4.4 64.4 1.0 CA A:ASN294 4.4 66.3 1.0 CA A:SER298 4.5 65.9 1.0 C A:ASN344 4.5 68.7 1.0 CA A:GLY297 4.6 74.4 1.0 O A:PRO326 4.7 61.8 1.0 CB A:ASN344 4.8 68.2 1.0 C A:GLN296 4.8 78.0 1.0 CB A:ASN347 4.9 70.9 1.0 N A:ASN294 4.9 63.3 1.0 CB A:SER298 5.0 63.0 1.0

X.Zhu, H.L.Turner, S.Lang, R.Mcbride, S.Bangaru, I.M.Gilchuk, W.Yu, J.C.Paulson, J.E.Crowe Jr., A.B.Ward, I.A.Wilson. Structural Basis of Protection Against H7N9 Influenza Virus By Human Anti-N9 Neuraminidase Antibodies. Cell Host Microbe 2019.
ISSN: ESSN 1934-6069
PubMed: 31757767
DOI: 10.1016/J.CHOM.2019.10.002