Calcium in PDB 5jyy: Structure-Based Tetravalent Zanamivir with Potent Inhibitory Activity Against Drug-Resistant Influenza Viruses

Enzymatic activity of Structure-Based Tetravalent Zanamivir with Potent Inhibitory Activity Against Drug-Resistant Influenza Viruses

All present enzymatic activity of Structure-Based Tetravalent Zanamivir with Potent Inhibitory Activity Against Drug-Resistant Influenza Viruses:
3.2.1.18;

Protein crystallography data

The structure of Structure-Based Tetravalent Zanamivir with Potent Inhibitory Activity Against Drug-Resistant Influenza Viruses, PDB code: 5jyy was solved by L.Fu, Y.Wu, Y.Bi, S.Zhang, X.Lv, J.Qi, Y.Li, X.Lu, J.Yan, G.F.Gao, X.Li, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 35.32 / 2.10
Space group I 4 3 2
Cell size a, b, c (Å), α, β, γ (°) 180.079, 180.079, 180.079, 90.00, 90.00, 90.00
R / Rfree (%) 15.1 / 17.2

Calcium Binding Sites:

The binding sites of Calcium atom in the Structure-Based Tetravalent Zanamivir with Potent Inhibitory Activity Against Drug-Resistant Influenza Viruses (pdb code 5jyy). 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 Structure-Based Tetravalent Zanamivir with Potent Inhibitory Activity Against Drug-Resistant Influenza Viruses, PDB code: 5jyy:

Calcium binding site 1 out of 1 in 5jyy

Go back to Calcium Binding Sites List in 5jyy
Calcium binding site 1 out of 1 in the Structure-Based Tetravalent Zanamivir with Potent Inhibitory Activity Against Drug-Resistant Influenza Viruses


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Structure-Based Tetravalent Zanamivir with Potent Inhibitory Activity Against Drug-Resistant Influenza Viruses within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca512

b:34.2
occ:1.00
 O A:GLY217 2.4 28.3 1.0
O A:ASP213 2.4 29.2 1.0
OD2 A:ASP244 2.4 27.9 1.0
O A:ASN266 2.4 24.7 1.0
O A:HOH711 2.5 23.8 1.0
O A:HOH744 2.6 26.4 1.0
CG A:ASP244 3.5 28.6 1.0
C A:ASN266 3.6 29.0 1.0
C A:GLY217 3.6 30.1 1.0
C A:ASP213 3.6 29.4 1.0
CA A:GLY267 3.9 27.2 1.0
O A:HOH661 4.0 20.9 1.0
CA A:ASN214 4.1 27.8 1.0
N A:GLY267 4.2 26.9 1.0
OD1 A:ASP244 4.3 25.2 1.0
N A:ASN214 4.3 27.2 1.0
C A:ASN214 4.4 29.5 1.0
CB A:ASP244 4.4 24.7 1.0
N A:SER218 4.5 31.2 1.0
N A:GLY217 4.5 28.3 1.0
CA A:SER218 4.5 27.7 1.0
CA A:GLY217 4.5 27.6 1.0
O A:ASN214 4.6 30.1 1.0
OG A:SER218 4.6 32.6 1.0
O A:ASN263 4.6 34.0 1.0
CA A:ASP213 4.7 28.1 1.0
N A:ASN266 4.7 26.5 1.0
CA A:ASN266 4.8 27.0 1.0
N A:ASP213 4.9 27.3 1.0
OD1 A:ASP213 4.9 28.8 1.0
CB A:ASP213 4.9 28.1 1.0
N A:TRP215 4.9 27.1 1.0
CG A:LYS212 5.0 30.3 1.0

Reference:

L.Fu, Y.Bi, Y.Wu, S.Zhang, J.Qi, Y.Li, X.Lu, Z.Zhang, X.Lv, J.Yan, G.F.Gao, X.Li. Structure-Based Tetravalent Zanamivir with Potent Inhibitory Activity Against Drug-Resistant Influenza Viruses J.Med.Chem. V. 59 6303 2016.
ISSN: ISSN 0022-2623
PubMed: 27341624
DOI: 10.1021/ACS.JMEDCHEM.6B00537
Page generated: Sat Dec 12 05:32:45 2020

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