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Calcium in PDB 4gb1: Synthesis and Evaluation of Novel 3-C-Alkylated-NEU5AC2EN Derivatives As Probes of Influenza Virus Sialidase 150-Loop Flexibility

Enzymatic activity of Synthesis and Evaluation of Novel 3-C-Alkylated-NEU5AC2EN Derivatives As Probes of Influenza Virus Sialidase 150-Loop Flexibility

All present enzymatic activity of Synthesis and Evaluation of Novel 3-C-Alkylated-NEU5AC2EN Derivatives As Probes of Influenza Virus Sialidase 150-Loop Flexibility:
3.2.1.18;

Protein crystallography data

The structure of Synthesis and Evaluation of Novel 3-C-Alkylated-NEU5AC2EN Derivatives As Probes of Influenza Virus Sialidase 150-Loop Flexibility, PDB code: 4gb1 was solved by P.S.Kerry, S.Rudrawar, M.-A.Rameix-Welti, A.Maggioni, J.C.Dyason, F.J.Rose, S.Van Der Werf, R.J.Thomson, N.Naffakh, R.J.M.Russell, M.Vonitzstein, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 32.00 / 2.62
Space group I 4
Cell size a, b, c (Å), α, β, γ (°) 90.501, 90.501, 108.731, 90.00, 90.00, 90.00
R / Rfree (%) 20.4 / 28

Calcium Binding Sites:

The binding sites of Calcium atom in the Synthesis and Evaluation of Novel 3-C-Alkylated-NEU5AC2EN Derivatives As Probes of Influenza Virus Sialidase 150-Loop Flexibility (pdb code 4gb1). 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 Synthesis and Evaluation of Novel 3-C-Alkylated-NEU5AC2EN Derivatives As Probes of Influenza Virus Sialidase 150-Loop Flexibility, PDB code: 4gb1:

Calcium binding site 1 out of 1 in 4gb1

Go back to Calcium Binding Sites List in 4gb1
Calcium binding site 1 out of 1 in the Synthesis and Evaluation of Novel 3-C-Alkylated-NEU5AC2EN Derivatives As Probes of Influenza Virus Sialidase 150-Loop Flexibility


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Synthesis and Evaluation of Novel 3-C-Alkylated-NEU5AC2EN Derivatives As Probes of Influenza Virus Sialidase 150-Loop Flexibility within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca502

b:40.6
occ:1.00
O A:TYR352 2.3 40.9 1.0
O A:ASP295 2.8 28.4 1.0
OD1 A:ASP326 3.0 23.8 1.0
O A:GLY299 3.1 28.7 1.0
C A:TYR352 3.2 34.3 1.0
CA A:GLY353 3.6 29.2 1.0
CG A:ASP326 3.8 32.2 1.0
N A:GLY353 3.8 29.0 1.0
O A:GLY351 3.9 26.5 1.0
C A:GLY299 4.0 26.4 1.0
C A:ASP295 4.0 24.6 1.0
C A:GLY351 4.1 28.3 1.0
O A:GLN350 4.3 25.4 1.0
N A:TYR352 4.3 31.2 1.0
CA A:ASN296 4.3 30.2 1.0
CA A:TYR352 4.4 30.6 1.0
CB A:ASP326 4.4 22.1 1.0
OD2 A:ASP326 4.4 31.1 1.0
O A:HOH621 4.5 23.6 1.0
N A:THR300 4.6 25.7 1.0
CA A:THR300 4.6 24.6 1.0
N A:ASN296 4.7 23.9 1.0
O A:PRO328 4.7 29.1 1.0
C A:ASN296 4.7 24.3 1.0
CA A:GLY351 4.8 31.8 1.0
N A:GLY299 4.8 25.0 1.0
OD2 A:ASP295 4.8 22.6 1.0
C A:GLN350 4.9 30.2 1.0
CA A:GLY299 4.9 25.7 1.0
N A:TRP297 5.0 26.5 1.0

Reference:

S.Rudrawar, P.S.Kerry, M.A.Rameix-Welti, A.Maggioni, J.C.Dyason, F.J.Rose, S.Van Der Werf, R.J.Thomson, N.Naffakh, R.J.Russell, M.Von Itzstein. Synthesis and Evaluation of Novel 3-C-Alkylated-NEU5AC2EN Derivatives As Probes of Influenza Virus Sialidase 150-Loop Flexibility. Org.Biomol.Chem. V. 10 8628 2012.
ISSN: ISSN 1477-0520
PubMed: 22976385
DOI: 10.1039/C2OB25627D
Page generated: Sun Jul 14 07:03:42 2024

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