Chlorine in PDB 5g65: Structure of Bacillus Subtilis Nitric Oxide Synthase in Complex with Quinolin-2-Amine

Enzymatic activity of Structure of Bacillus Subtilis Nitric Oxide Synthase in Complex with Quinolin-2-Amine

All present enzymatic activity of Structure of Bacillus Subtilis Nitric Oxide Synthase in Complex with Quinolin-2-Amine:
1.14.13.165;

Protein crystallography data

The structure of Structure of Bacillus Subtilis Nitric Oxide Synthase in Complex with Quinolin-2-Amine, PDB code: 5g65 was solved by J.K.Holden, T.L.Poulos, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	34.13 / 2.03
*Space group*	P 2₁ 2₁ 2
*Cell size a, b, c (Å), α, β, γ (°)*	80.560, 94.800, 62.070, 90.00, 90.00, 90.00
*R / R_free (%)*	18.3 / 22.3

Other elements in 5g65:

The structure of Structure of Bacillus Subtilis Nitric Oxide Synthase in Complex with Quinolin-2-Amine also contains other interesting chemical elements:

Iron

(Fe)

1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Structure of Bacillus Subtilis Nitric Oxide Synthase in Complex with Quinolin-2-Amine (pdb code 5g65). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Structure of Bacillus Subtilis Nitric Oxide Synthase in Complex with Quinolin-2-Amine, PDB code: 5g65:

Chlorine binding site 1 out of 1 in 5g65

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Chlorine Binding Sites List in 5g65

Chlorine binding site 1 out of 1 in the Structure of Bacillus Subtilis Nitric Oxide Synthase in Complex with Quinolin-2-Amine

Mono view

Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Bacillus Subtilis Nitric Oxide Synthase in Complex with Quinolin-2-Amine within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Cl1365 b:17.3 occ:1.00	OH	A:TYR239	3.0	18.3	1.0
	O	A:HOH2045	3.2	24.1	1.0
	O	A:HOH2103	3.2	18.5	1.0
	ND2	A:ASN248	3.2	14.9	1.0
	NE2	A:GLN129	3.4	15.9	1.0
	NH1	A:ARG132	3.4	23.3	1.0
	CE1	A:TYR239	3.5	15.1	1.0
	CZ	A:TYR239	3.7	16.0	1.0
	OD1	A:ASN248	3.9	18.0	1.0
	CG	A:ASN248	4.0	16.6	1.0
	OH	A:TYR213	4.0	17.3	1.0
	OE1	A:GLN129	4.2	17.6	1.0
	CD	A:GLN129	4.2	20.1	1.0
	O	A:HOH2173	4.2	44.0	1.0
	CZ	A:ARG132	4.5	26.9	1.0
	O	A:HOH2102	4.6	18.5	1.0
	CD1	A:TYR239	4.8	14.6	1.0
	NE1	A:TRP212	4.8	14.3	1.0
	NH2	A:ARG132	4.8	27.2	1.0
	OE2	A:GLU243	5.0	19.1	1.0
	CB	A:PRO216	5.0	15.0	1.0

Reference:

J.K.Holden, M.C.Lewis, M.A.Cinelli, Z.Abdullatif, A.V.Pensa, R.B.Silverman, T.L.Poulos. Targeting Bacterial Nitric Oxide Synthase with Aminoquinoline-Based Inhibitors. Biochemistry V. 55 5587 2016.
ISSN: ISSN 1520-4995
PubMed: 27607918
DOI: 10.1021/ACS.BIOCHEM.6B00786

Page generated: Sat Dec 12 11:46:38 2020

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