Calcium in PDB 6c0m: The Synthesis, Biological Evaluation and Structural Insights of Unsaturated 3-N-Substituted Sialic Acids As Probes of Human Parainfluenza Virus-3 Haemagglutinin-Neuraminidase

Enzymatic activity of The Synthesis, Biological Evaluation and Structural Insights of Unsaturated 3-N-Substituted Sialic Acids As Probes of Human Parainfluenza Virus-3 Haemagglutinin-Neuraminidase

All present enzymatic activity of The Synthesis, Biological Evaluation and Structural Insights of Unsaturated 3-N-Substituted Sialic Acids As Probes of Human Parainfluenza Virus-3 Haemagglutinin-Neuraminidase:
3.2.1.18;

Protein crystallography data

The structure of The Synthesis, Biological Evaluation and Structural Insights of Unsaturated 3-N-Substituted Sialic Acids As Probes of Human Parainfluenza Virus-3 Haemagglutinin-Neuraminidase, PDB code: 6c0m was solved by L.Dirr, T.Ve, M.Von Itzstein, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.90 / 1.83
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 83.898, 95.989, 105.610, 90.00, 90.00, 90.00
R / Rfree (%) 18.2 / 22.8

Calcium Binding Sites:

The binding sites of Calcium atom in the The Synthesis, Biological Evaluation and Structural Insights of Unsaturated 3-N-Substituted Sialic Acids As Probes of Human Parainfluenza Virus-3 Haemagglutinin-Neuraminidase (pdb code 6c0m). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the The Synthesis, Biological Evaluation and Structural Insights of Unsaturated 3-N-Substituted Sialic Acids As Probes of Human Parainfluenza Virus-3 Haemagglutinin-Neuraminidase, PDB code: 6c0m:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in 6c0m

Go back to Calcium Binding Sites List in 6c0m
Calcium binding site 1 out of 2 in the The Synthesis, Biological Evaluation and Structural Insights of Unsaturated 3-N-Substituted Sialic Acids As Probes of Human Parainfluenza Virus-3 Haemagglutinin-Neuraminidase


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of The Synthesis, Biological Evaluation and Structural Insights of Unsaturated 3-N-Substituted Sialic Acids As Probes of Human Parainfluenza Virus-3 Haemagglutinin-Neuraminidase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca601

b:29.9
occ:1.00
 O A:HOH752 2.2 37.1 1.0
O A:SER282 2.3 30.1 1.0
O A:ALA316 2.3 28.3 1.0
O A:ASP279 2.3 28.8 1.0
OD1 A:ASP279 2.3 30.2 1.0
O A:GLY284 2.4 33.6 1.0
OG A:SER282 2.5 37.5 1.0
C A:SER282 3.3 32.5 1.0
C A:ASP279 3.3 27.1 1.0
C A:ALA316 3.5 29.2 1.0
CG A:ASP279 3.6 30.9 1.0
C A:GLY284 3.6 31.7 1.0
CB A:SER282 3.6 37.5 1.0
CA A:ASP279 3.8 32.3 1.0
CA A:SER282 3.8 34.4 1.0
N A:SER282 4.0 31.3 1.0
O A:SER283 4.1 35.0 1.0
C A:SER283 4.2 31.6 1.0
CA A:ALA316 4.2 26.6 1.0
CB A:ASP279 4.3 29.8 1.0
CA A:ILE285 4.3 26.4 1.0
N A:SER283 4.4 28.9 1.0
N A:ILE285 4.4 25.2 1.0
N A:TYR280 4.5 30.0 1.0
OD2 A:ASP279 4.5 32.1 1.0
N A:ALA317 4.5 21.1 1.0
N A:GLY284 4.5 26.2 1.0
CA A:GLY284 4.6 31.5 1.0
CB A:ALA316 4.7 31.6 1.0
CA A:ALA317 4.7 20.6 1.0
C A:ILE285 4.7 29.9 1.0
CA A:SER283 4.7 33.8 1.0
CA A:TYR280 4.8 30.7 1.0
O A:SER278 4.9 34.3 1.0
N A:GLU286 4.9 33.7 1.0
OE2 A:GLU286 4.9 36.2 1.0
CB A:ALA317 4.9 25.7 1.0
O A:HOH900 4.9 48.0 1.0
C A:TYR280 5.0 33.0 1.0

Calcium binding site 2 out of 2 in 6c0m

Go back to Calcium Binding Sites List in 6c0m
Calcium binding site 2 out of 2 in the The Synthesis, Biological Evaluation and Structural Insights of Unsaturated 3-N-Substituted Sialic Acids As Probes of Human Parainfluenza Virus-3 Haemagglutinin-Neuraminidase


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of The Synthesis, Biological Evaluation and Structural Insights of Unsaturated 3-N-Substituted Sialic Acids As Probes of Human Parainfluenza Virus-3 Haemagglutinin-Neuraminidase within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca601

b:32.5
occ:1.00
 O B:HOH729 2.2 34.2 1.0
O B:SER282 2.3 31.0 1.0
O B:ALA316 2.3 36.2 1.0
OD1 B:ASP279 2.4 26.3 1.0
O B:GLY284 2.4 28.3 1.0
O B:ASP279 2.4 29.1 1.0
OG B:SER282 2.5 33.3 1.0
C B:SER282 3.3 38.0 1.0
C B:ASP279 3.3 25.9 1.0
C B:ALA316 3.5 30.9 1.0
CG B:ASP279 3.6 30.9 1.0
C B:GLY284 3.6 32.5 1.0
CB B:SER282 3.7 32.9 1.0
CA B:ASP279 3.7 27.3 1.0
CA B:SER282 3.8 38.8 1.0
O B:SER283 3.9 38.9 1.0
N B:SER282 4.0 36.9 1.0
C B:SER283 4.2 32.9 1.0
CA B:ALA316 4.2 26.0 1.0
CA B:ILE285 4.2 27.2 1.0
CB B:ASP279 4.3 33.4 1.0
N B:ILE285 4.4 31.9 1.0
N B:SER283 4.4 36.1 1.0
N B:TYR280 4.5 24.2 1.0
N B:ALA317 4.5 25.4 1.0
OD2 B:ASP279 4.5 29.5 1.0
N B:GLY284 4.6 33.8 1.0
CB B:ALA316 4.6 27.4 1.0
CA B:GLY284 4.6 29.7 1.0
C B:ILE285 4.7 35.5 1.0
CA B:ALA317 4.7 23.8 1.0
OE2 B:GLU286 4.7 36.5 1.0
CA B:SER283 4.8 34.3 1.0
N B:GLU286 4.8 30.0 1.0
CB B:ALA317 4.9 21.5 1.0
O B:SER278 4.9 30.4 1.0
CA B:TYR280 4.9 28.5 1.0
C B:TYR280 5.0 27.0 1.0

Reference:

M.Pascolutti, L.Dirr, P.Guillon, A.Van Den Bergh, T.Ve, R.J.Thomson, M.Von Itzstein. Structural Insights Into Human Parainfluenza Virus 3 Hemagglutinin-Neuraminidase Using Unsaturated 3- N-Substituted Sialic Acids As Probes. Acs Chem. Biol. V. 13 1544 2018.
ISSN: ESSN 1554-8937
PubMed: 29693380
DOI: 10.1021/ACSCHEMBIO.8B00150
Page generated: Sat Dec 12 06:01:00 2020

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