Calcium in PDB 6q1z: Crystal Structure of Human 1G04 Fab in Complex with Influenza Virus Neuraminidase From A/Hunan/02650/2016 (H7N9)

All present enzymatic activity of Crystal Structure of Human 1G04 Fab in Complex with Influenza Virus Neuraminidase From A/Hunan/02650/2016 (H7N9):
3.2.1.18;

The structure of Crystal Structure of Human 1G04 Fab in Complex with Influenza Virus Neuraminidase From A/Hunan/02650/2016 (H7N9), PDB code: 6q1z 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)	47.37 / 3.45
Space group	I 4
Cell size a, b, c (Å), α, β, γ (°)	180.242, 180.242, 148.125, 90.00, 90.00, 90.00
R / Rfree (%)	19.7 / 24.7

The binding sites of Calcium atom in the Crystal Structure of Human 1G04 Fab in Complex with Influenza Virus Neuraminidase From A/Hunan/02650/2016 (H7N9) (pdb code 6q1z). 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 1G04 Fab in Complex with Influenza Virus Neuraminidase From A/Hunan/02650/2016 (H7N9), PDB code: 6q1z:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of Human 1G04 Fab in Complex with Influenza Virus 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 1G04 Fab in Complex with Influenza Virus Neuraminidase From A/Hunan/02650/2016 (H7N9) within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca516 b:0.2 occ:1.00 O A:ASN347 2.9 0.4 1.0 O A:GLY297 3.2 0.2 1.0 C A:ASN347 3.2 0.8 1.0 CB A:ASN345 3.4 0.1 1.0 O A:ASP293 3.7 98.1 1.0 N A:GLY348 3.8 0.8 1.0 OD2 A:ASP324 3.8 0.2 1.0 CA A:ASN347 3.8 0.9 1.0 N A:ASN347 3.8 0.3 1.0 O A:ASN294 3.9 0.5 1.0 CG A:ASN345 3.9 0.3 1.0 OD1 A:ASN345 4.1 0.5 1.0 CA A:GLY348 4.2 0.5 1.0 C A:ASN294 4.3 0.1 1.0 C A:GLY297 4.3 0.4 1.0 N A:ASN346 4.4 0.4 1.0 CA A:ASN345 4.4 0.1 1.0 CA A:ASN294 4.5 0.8 1.0 N A:GLY297 4.5 0.0 1.0 C A:ASN346 4.6 0.2 1.0 ND2 A:ASN345 4.6 0.6 1.0 O A:TRP295 4.6 0.5 1.0 C A:GLN296 4.8 0.8 1.0 OG A:SER298 4.8 0.1 1.0 C A:ASN345 4.8 0.5 1.0 C A:ASP293 4.8 0.3 1.0 C A:TRP295 4.9 0.5 1.0 CG A:ASP324 5.0 0.3 1.0 O A:PRO326 5.0 0.9 1.0 N A:TRP295 5.0 0.7 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of Human 1G04 Fab in Complex with Influenza Virus 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 1G04 Fab in Complex with Influenza Virus Neuraminidase From A/Hunan/02650/2016 (H7N9) within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca516 b:1.0 occ:1.00 O B:GLY297 2.9 0.5 1.0 O B:ASN347 3.0 0.0 1.0 O B:ASP293 3.2 0.8 1.0 OD2 B:ASP324 3.3 0.9 1.0 C B:ASN347 3.4 0.5 1.0 N B:GLY348 3.6 0.9 1.0 CA B:GLY348 3.8 0.4 1.0 O B:ASN294 3.8 0.9 1.0 CB B:ASN345 4.0 0.3 1.0 C B:GLY297 4.0 0.3 1.0 OD1 B:ASN345 4.0 0.5 1.0 C B:ASN294 4.1 0.1 1.0 CA B:ASN294 4.1 0.7 1.0 CG B:ASN345 4.2 0.8 1.0 CA B:ASN347 4.2 0.2 1.0 C B:ASP293 4.3 0.5 1.0 OG B:SER298 4.3 0.5 1.0 N B:ASN347 4.4 0.1 1.0 CG B:ASP324 4.5 0.8 1.0 N B:ASN294 4.7 0.2 1.0 CA B:SER298 4.8 0.2 1.0 N B:SER298 4.8 0.5 1.0 N B:GLY297 4.8 0.8 1.0 N B:TRP295 4.9 0.0 1.0 CA B:ASN345 4.9 0.6 1.0

D.Stadlbauer, X.Zhu, M.Mcmahon, J.S.Turner, T.J.Wohlbold, A.J.Schmitz, S.Strohmeier, W.Yu, R.Nachbagauer, P.A.Mudd, I.A.Wilson, A.H.Ellebedy, F.Krammer. Broadly Protective Human Antibodies That Target the Active Site of Influenza Virus Neuraminidase. Science V. 366 499 2019.
ISSN: ESSN 1095-9203
PubMed: 31649200
DOI: 10.1126/SCIENCE.AAY0678