Chlorine in PDB 1vaf: Inducible Nitric Oxide Synthase Oxygenase Domain Complexed with the Inhibitor Ar-R17477

Enzymatic activity of Inducible Nitric Oxide Synthase Oxygenase Domain Complexed with the Inhibitor Ar-R17477

All present enzymatic activity of Inducible Nitric Oxide Synthase Oxygenase Domain Complexed with the Inhibitor Ar-R17477:
1.14.13.39;

Protein crystallography data

The structure of Inducible Nitric Oxide Synthase Oxygenase Domain Complexed with the Inhibitor Ar-R17477, PDB code: 1vaf was solved by R.Fedorov, R.Vasan, D.K.Ghosh, I.Schlichting, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	8.00 / 2.90
*Space group*	P 6₁ 2 2
*Cell size a, b, c (Å), α, β, γ (°)*	216.344, 216.344, 117.835, 90.00, 90.00, 120.00
*R / R_free (%)*	20.7 / 26.2

Other elements in 1vaf:

The structure of Inducible Nitric Oxide Synthase Oxygenase Domain Complexed with the Inhibitor Ar-R17477 also contains other interesting chemical elements:

Iron	(Fe)	2 atoms
Zinc	(Zn)	2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Inducible Nitric Oxide Synthase Oxygenase Domain Complexed with the Inhibitor Ar-R17477 (pdb code 1vaf). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Inducible Nitric Oxide Synthase Oxygenase Domain Complexed with the Inhibitor Ar-R17477, PDB code: 1vaf:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 1vaf

Go back to

Chlorine Binding Sites List in 1vaf

Chlorine binding site 1 out of 4 in the Inducible Nitric Oxide Synthase Oxygenase Domain Complexed with the Inhibitor Ar-R17477

Mono view

Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Inducible Nitric Oxide Synthase Oxygenase Domain Complexed with the Inhibitor Ar-R17477 within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Cl902 b:47.2 occ:0.50	CL	A:ARR902	0.0	47.2	0.5
	C19	A:ARR902	1.7	59.1	0.5
	C18	A:ARR902	2.7	57.9	0.5
	C20	A:ARR902	2.7	57.6	0.5
	CD1	A:TYR485	3.3	53.9	1.0
	OD1	A:ASN348	3.5	61.4	1.0
	ND2	A:ASN348	3.5	58.9	1.0
	CG	A:ASN348	3.6	58.3	1.0
	CG	A:TYR485	4.0	53.3	1.0
	CB	A:TYR485	4.0	52.6	1.0
	C17	A:ARR902	4.1	51.9	0.5
	CE1	A:TYR485	4.1	53.9	1.0
	C15	A:ARR902	4.1	59.9	0.5
	O	A:ASN348	4.2	56.7	1.0
	CG	A:MET349	4.2	50.4	1.0
	CA	A:TYR485	4.3	52.6	1.0
	C16	A:ARR902	4.6	54.8	0.5
	CB	A:ASN348	4.6	56.2	1.0
	N	A:GLN486	4.7	55.6	1.0
	C	A:ASN348	4.7	55.3	1.0

Chlorine binding site 2 out of 4 in 1vaf

Go back to

Chlorine Binding Sites List in 1vaf

Chlorine binding site 2 out of 4 in the Inducible Nitric Oxide Synthase Oxygenase Domain Complexed with the Inhibitor Ar-R17477

Mono view

Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Inducible Nitric Oxide Synthase Oxygenase Domain Complexed with the Inhibitor Ar-R17477 within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Cl902 b:45.4 occ:0.50	CL	A:ARR902	0.0	45.4	0.5
	C19	A:ARR902	1.7	51.4	0.5
	C18	A:ARR902	2.7	53.6	0.5
	C20	A:ARR902	2.7	57.6	0.5
	NH2	A:ARG260	3.3	49.1	1.0
	C17	A:ARR902	4.1	50.3	0.5
	C15	A:ARR902	4.1	59.9	0.5
	O	A:HOH987	4.2	74.0	1.0
	CB	A:ALA276	4.3	56.7	1.0
	C14	A:ARR902	4.4	58.9	0.5
	O	A:HOH982	4.5	37.7	1.0
	C16	A:ARR902	4.6	55.2	0.5
	CZ	A:ARG260	4.6	49.0	1.0
	CZ	A:ARG382	4.6	47.3	1.0
	O	A:HOH970	4.7	42.6	1.0
	NH1	A:ARG382	4.7	46.7	1.0
	NE	A:ARG382	4.8	47.9	1.0

Chlorine binding site 3 out of 4 in 1vaf

Go back to

Chlorine Binding Sites List in 1vaf

Chlorine binding site 3 out of 4 in the Inducible Nitric Oxide Synthase Oxygenase Domain Complexed with the Inhibitor Ar-R17477

Mono view

Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Inducible Nitric Oxide Synthase Oxygenase Domain Complexed with the Inhibitor Ar-R17477 within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
B:Cl903 b:47.2 occ:0.50	CL	B:ARR903	0.0	47.2	0.5
	C19	B:ARR903	1.7	59.1	0.5
	C18	B:ARR903	2.7	57.9	0.5
	C20	B:ARR903	2.7	57.6	0.5
	OD1	B:ASN348	3.0	62.5	1.0
	ND2	B:ASN348	3.3	59.1	1.0
	CG	B:ASN348	3.3	59.8	1.0
	CD1	B:TYR485	3.5	53.6	1.0
	O	B:ASN348	3.9	59.7	1.0
	C17	B:ARR903	4.1	51.9	0.5
	C15	B:ARR903	4.1	59.9	0.5
	CB	B:TYR485	4.2	53.5	1.0
	CG	B:TYR485	4.2	54.3	1.0
	CE1	B:TYR485	4.4	52.6	1.0
	CB	B:ASN348	4.4	58.3	1.0
	CA	B:TYR485	4.5	53.8	1.0
	C16	B:ARR903	4.6	54.8	0.5
	CG	B:MET349	4.6	52.6	1.0
	C	B:ASN348	4.7	57.6	1.0
	N	B:GLN486	4.7	57.2	1.0

Chlorine binding site 4 out of 4 in 1vaf

Go back to

Chlorine Binding Sites List in 1vaf

Chlorine binding site 4 out of 4 in the Inducible Nitric Oxide Synthase Oxygenase Domain Complexed with the Inhibitor Ar-R17477

Mono view

Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Inducible Nitric Oxide Synthase Oxygenase Domain Complexed with the Inhibitor Ar-R17477 within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
B:Cl903 b:40.3 occ:0.50	CL	B:ARR903	0.0	40.3	0.5
	C19	B:ARR903	1.7	58.4	0.5
	C18	B:ARR903	2.7	56.1	0.5
	C20	B:ARR903	2.7	57.6	0.5
	NH2	B:ARG260	3.4	56.7	1.0
	O	B:HOH1972	3.7	71.8	1.0
	C17	B:ARR903	4.1	50.8	0.5
	C15	B:ARR903	4.1	59.9	0.5
	CB	B:ALA276	4.2	57.4	1.0
	NH1	B:ARG260	4.3	57.5	1.0
	CZ	B:ARG260	4.3	55.6	1.0
	O	B:HOH1914	4.4	38.0	1.0
	NH1	B:ARG382	4.5	50.6	1.0
	C14	B:ARR903	4.5	58.9	0.5
	CZ	B:ARG382	4.6	51.6	1.0
	C16	B:ARR903	4.6	52.6	0.5
	O	B:HOH1903	4.7	48.0	1.0
	NE	B:ARG382	4.9	52.1	1.0
	NH2	B:ARG382	4.9	51.0	1.0

Reference:

R.Fedorov, R.Vasan, D.K.Ghosh, I.Schlichting. Structures of Nitric Oxide Synthase Isoforms Complexed with the Inhibitor Ar-R17477 Suggest A Rational Basis For Specificity and Inhibitor Design Proc.Natl.Acad.Sci.Usa V. 101 5892 2004.
ISSN: ISSN 0027-8424
PubMed: 15071192
DOI: 10.1073/PNAS.0306588101

Page generated: Sat Dec 12 08:51:39 2020

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3

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