Calcium in PDB 2qwh: The X-Ray Structure of A Complex of 5-N-Acetyl-5-Amino-3-(1- Ethylpropoxy)-1-Cyclohexene-1-Carboxylic Acid (GS4071) and A Drug Resistant Variant R292K of Tern N9 Influenza Virus Neuraminidase

Enzymatic activity of The X-Ray Structure of A Complex of 5-N-Acetyl-5-Amino-3-(1- Ethylpropoxy)-1-Cyclohexene-1-Carboxylic Acid (GS4071) and A Drug Resistant Variant R292K of Tern N9 Influenza Virus Neuraminidase

All present enzymatic activity of The X-Ray Structure of A Complex of 5-N-Acetyl-5-Amino-3-(1- Ethylpropoxy)-1-Cyclohexene-1-Carboxylic Acid (GS4071) and A Drug Resistant Variant R292K of Tern N9 Influenza Virus Neuraminidase:
3.2.1.18;

Protein crystallography data

The structure of The X-Ray Structure of A Complex of 5-N-Acetyl-5-Amino-3-(1- Ethylpropoxy)-1-Cyclohexene-1-Carboxylic Acid (GS4071) and A Drug Resistant Variant R292K of Tern N9 Influenza Virus Neuraminidase, PDB code: 2qwh was solved by J.N.Varghese, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	6.00 / 1.80
*Space group*	I 4 3 2
*Cell size a, b, c (Å), α, β, γ (°)*	180.980, 180.980, 180.980, 90.00, 90.00, 90.00
*R / R_free (%)*	17.2 / n/a

Calcium Binding Sites:

The binding sites of Calcium atom in the The X-Ray Structure of A Complex of 5-N-Acetyl-5-Amino-3-(1- Ethylpropoxy)-1-Cyclohexene-1-Carboxylic Acid (GS4071) and A Drug Resistant Variant R292K of Tern N9 Influenza Virus Neuraminidase (pdb code 2qwh). 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 X-Ray Structure of A Complex of 5-N-Acetyl-5-Amino-3-(1- Ethylpropoxy)-1-Cyclohexene-1-Carboxylic Acid (GS4071) and A Drug Resistant Variant R292K of Tern N9 Influenza Virus Neuraminidase, PDB code: 2qwh:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in 2qwh

Go back to

Calcium Binding Sites List in 2qwh

Calcium binding site 1 out of 2 in the The X-Ray Structure of A Complex of 5-N-Acetyl-5-Amino-3-(1- Ethylpropoxy)-1-Cyclohexene-1-Carboxylic Acid (GS4071) and A Drug Resistant Variant R292K of Tern N9 Influenza Virus Neuraminidase

Mono view

Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of The X-Ray Structure of A Complex of 5-N-Acetyl-5-Amino-3-(1- Ethylpropoxy)-1-Cyclohexene-1-Carboxylic Acid (GS4071) and A Drug Resistant Variant R292K of Tern N9 Influenza Virus Neuraminidase within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Ca999 b:19.8 occ:1.00	O	A:GLY297	2.4	19.6	1.0
	O	A:ASP293	2.4	19.0	1.0
	O	A:HOH1089G	2.7	18.9	1.0
	O	A:ASN347	2.7	21.3	1.0
	OD2	A:ASP324	2.7	15.5	1.0
	O	A:HOH1007W	2.9	15.1	1.0
	CG	A:ASP324	3.5	16.1	1.0
	C	A:GLY297	3.5	20.0	1.0
	C	A:ASP293	3.6	18.6	1.0
	C	A:ASN347	3.9	21.0	1.0
	O	A:HOH1006W	4.0	7.9	1.0
	O	A:HOH1219K	4.0	34.1	1.0
	O	A:ASN294	4.1	21.2	1.0
	CA	A:GLY348	4.1	18.5	1.0
	CA	A:ASN294	4.1	20.3	1.0
	CB	A:ASP324	4.2	16.0	1.0
	C	A:ASN294	4.3	20.9	1.0
	OD1	A:ASP324	4.3	14.9	1.0
	N	A:ASN294	4.3	18.9	1.0
	N	A:SER298	4.4	19.5	1.0
	N	A:GLY297	4.4	21.8	1.0
	N	A:GLY348	4.5	19.8	1.0
	CA	A:GLY297	4.5	20.7	1.0
	CA	A:SER298	4.5	19.0	1.0
	CA	A:ASP293	4.7	18.3	1.0
	N	A:ASP293	4.7	17.7	1.0
	C	A:GLN296	4.9	22.5	1.0
	CB	A:ASP293	4.9	18.3	1.0
	OG	A:SER298	4.9	18.3	1.0
	N	A:ASN347	5.0	22.6	1.0

Calcium binding site 2 out of 2 in 2qwh

Go back to

Calcium Binding Sites List in 2qwh

Calcium binding site 2 out of 2 in the The X-Ray Structure of A Complex of 5-N-Acetyl-5-Amino-3-(1- Ethylpropoxy)-1-Cyclohexene-1-Carboxylic Acid (GS4071) and A Drug Resistant Variant R292K of Tern N9 Influenza Virus Neuraminidase

Mono view

Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of The X-Ray Structure of A Complex of 5-N-Acetyl-5-Amino-3-(1- Ethylpropoxy)-1-Cyclohexene-1-Carboxylic Acid (GS4071) and A Drug Resistant Variant R292K of Tern N9 Influenza Virus Neuraminidase within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Ca989 b:14.0 occ:0.25	O	A:HOH1306P	2.3	49.1	1.0
	O	A:HOH1053W	3.2	23.0	1.0
	O	A:HOH1317Q	3.9	0.8	1.0

Reference:

J.N.Varghese, P.W.Smith, S.L.Sollis, T.J.Blick, A.Sahasrabudhe, J.L.Mckimm-Breschkin, P.M.Colman. Drug Design Against A Shifting Target: A Structural Basis For Resistance to Inhibitors in A Variant of Influenza Virus Neuraminidase. Structure V. 6 735 1998.
ISSN: ISSN 0969-2126
PubMed: 9655825
DOI: 10.1016/S0969-2126(98)00075-6

Page generated: Fri Jul 12 15:43:42 2024

Last articles

Zn in 9JYW
Zn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW

	© Copyright 2008-2020 by atomistry.com
Home \| Site Map \| Copyright \| Contact us \| Privacy