Calcium in PDB 4weg: Influenza Virus Neuraminidase N9 in Complex 2,3-Difluorosialic Acid

Enzymatic activity of Influenza Virus Neuraminidase N9 in Complex 2,3-Difluorosialic Acid

All present enzymatic activity of Influenza Virus Neuraminidase N9 in Complex 2,3-Difluorosialic Acid:
3.2.1.18;

Protein crystallography data

The structure of Influenza Virus Neuraminidase N9 in Complex 2,3-Difluorosialic Acid, PDB code: 4weg was solved by V.A.Streltsov, P.Pilling, S.Barrett, J.Mckimm-Breschkin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	42.71 / 2.10
*Space group*	I 4 3 2
*Cell size a, b, c (Å), α, β, γ (°)*	181.194, 181.194, 181.194, 90.00, 90.00, 90.00
*R / R_free (%)*	14.3 / 20.1

Other elements in 4weg:

The structure of Influenza Virus Neuraminidase N9 in Complex 2,3-Difluorosialic Acid also contains other interesting chemical elements:

Fluorine

(F)

4 atoms

Calcium Binding Sites:

The binding sites of Calcium atom in the Influenza Virus Neuraminidase N9 in Complex 2,3-Difluorosialic Acid (pdb code 4weg). 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 Influenza Virus Neuraminidase N9 in Complex 2,3-Difluorosialic Acid, PDB code: 4weg:

Calcium binding site 1 out of 1 in 4weg

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Calcium Binding Sites List in 4weg

Calcium binding site 1 out of 1 in the Influenza Virus Neuraminidase N9 in Complex 2,3-Difluorosialic Acid

Mono view

Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Influenza Virus Neuraminidase N9 in Complex 2,3-Difluorosialic Acid within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Ca513 b:33.0 occ:1.00	O	A:GLY298	2.5	33.8	1.0
	O	A:ASN347	2.6	34.6	1.0
	O	A:ASP294	2.7	32.3	1.0
	OD2	A:ASP325	2.8	29.0	1.0
	O	A:HOH617	2.8	29.4	1.0
	O	A:HOH703	2.9	32.9	1.0
	CG	A:ASP325	3.5	30.0	1.0
	C	A:GLY298	3.7	33.3	1.0
	C	A:ASP294	3.8	28.9	1.0
	C	A:ASN347	3.8	34.4	1.0
	CA	A:GLY348	4.0	33.3	1.0
	O	A:HOH742	4.0	27.9	1.0
	CA	A:ASN295	4.1	27.6	1.0
	CB	A:ASP325	4.1	27.7	1.0
	O	A:ASN295	4.1	31.6	1.0
	C	A:ASN295	4.3	34.0	1.0
	OD1	A:ASN344	4.3	47.5	1.0
	OD1	A:ASP325	4.4	29.8	1.0
	N	A:GLY348	4.4	33.0	1.0
	N	A:ASN295	4.4	29.7	1.0
	N	A:SER299	4.5	29.0	1.0
	N	A:GLY298	4.5	33.2	1.0
	CA	A:GLY298	4.6	33.1	1.0
	CA	A:SER299	4.6	29.9	1.0
	CA	A:ASP294	4.9	29.8	1.0
	N	A:ASN347	4.9	32.2	1.0
	OG	A:SER299	4.9	31.9	1.0
	N	A:ASP294	5.0	29.7	1.0
	C	A:GLN297	5.0	35.5	1.0
	CA	A:ASN347	5.0	33.6	1.0

Reference:

V.A.Streltsov, P.Pilling, S.Barrett, J.L.Mckimm-Breschkin. Catalytic Mechanism and Novel Receptor Binding Sites of Human Parainfluenza Virus Type 3 Hemagglutinin-Neuraminidase (HPIV3 Hn) Antiviral Res. V. 123 216 2015.
ISSN: ISSN 0166-3542
PubMed: 26364554
DOI: 10.1016/J.ANTIVIRAL.2015.08.014

Page generated: Sun Jul 14 14:04:23 2024

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