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

Enzymatic activity of 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;

Protein crystallography data

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

Calcium Binding Sites:

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 6q1z

Go back to Calcium Binding Sites List in 6q1z
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 6q1z

Go back to Calcium Binding Sites List in 6q1z
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

Reference:

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
Page generated: Sat Dec 12 07:26:41 2020

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