Potassium in PDB 6nlg: 1.50 A Resolution Structure of Bfrb (C89S/K96C) From Pseudomonas Aeruginosa in Complex with A Small Molecule Fragment (Analog 1)

Enzymatic activity of 1.50 A Resolution Structure of Bfrb (C89S/K96C) From Pseudomonas Aeruginosa in Complex with A Small Molecule Fragment (Analog 1)

All present enzymatic activity of 1.50 A Resolution Structure of Bfrb (C89S/K96C) From Pseudomonas Aeruginosa in Complex with A Small Molecule Fragment (Analog 1):
1.16.3.1;

Protein crystallography data

The structure of 1.50 A Resolution Structure of Bfrb (C89S/K96C) From Pseudomonas Aeruginosa in Complex with A Small Molecule Fragment (Analog 1), PDB code: 6nlg was solved by S.Lovell, A.Punchi-Hewage, K.P.Battaile, H.Yao, B.Nammalwar, K.K.Gnanasekaran, R.A.Bunce, A.B.Reitz, M.Rivera, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	38.35 / 1.50
*Space group*	P 6₃ 2 2
*Cell size a, b, c (Å), α, β, γ (°)*	153.814, 153.814, 153.406, 90.00, 90.00, 120.00
*R / R_free (%)*	15 / 15.8

Other elements in 6nlg:

The structure of 1.50 A Resolution Structure of Bfrb (C89S/K96C) From Pseudomonas Aeruginosa in Complex with A Small Molecule Fragment (Analog 1) also contains other interesting chemical elements:

Iron

(Fe)

4 atoms

Potassium Binding Sites:

The binding sites of Potassium atom in the 1.50 A Resolution Structure of Bfrb (C89S/K96C) From Pseudomonas Aeruginosa in Complex with A Small Molecule Fragment (Analog 1) (pdb code 6nlg). This binding sites where shown within 5.0 Angstroms radius around Potassium atom.
In total only one binding site of Potassium was determined in the 1.50 A Resolution Structure of Bfrb (C89S/K96C) From Pseudomonas Aeruginosa in Complex with A Small Molecule Fragment (Analog 1), PDB code: 6nlg:

Potassium binding site 1 out of 1 in 6nlg

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Potassium Binding Sites List in 6nlg

Potassium binding site 1 out of 1 in the 1.50 A Resolution Structure of Bfrb (C89S/K96C) From Pseudomonas Aeruginosa in Complex with A Small Molecule Fragment (Analog 1)

Mono view

Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 1 of 1.50 A Resolution Structure of Bfrb (C89S/K96C) From Pseudomonas Aeruginosa in Complex with A Small Molecule Fragment (Analog 1) within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
B:K201 b:21.7 occ:1.00	OE1	C:GLN151	2.8	15.4	1.0
	OE1	B:GLN151	2.9	17.2	1.0
	OE1	D:GLN151	2.9	16.6	1.0
	OD1	C:ASN148	3.0	18.4	1.0
	OD1	B:ASN148	3.0	18.8	1.0
	OD1	D:ASN148	3.0	18.8	1.0
	O	C:HOH409	3.6	42.8	1.0
	CD	C:GLN151	3.8	13.8	1.0
	CD	B:GLN151	3.8	14.9	1.0
	CD	D:GLN151	3.8	15.8	1.0
	CG	C:ASN148	3.8	20.1	1.0
	CG	B:ASN148	3.8	18.0	1.0
	CG	D:ASN148	3.9	20.7	1.0
	NE2	D:GLN151	4.0	17.1	1.0
	NE2	C:GLN151	4.0	17.2	1.0
	NE2	B:GLN151	4.0	18.6	1.0
	ND2	B:ASN148	4.2	23.4	1.0
	ND2	C:ASN148	4.2	24.5	1.0
	ND2	D:ASN148	4.3	25.4	1.0
	CB	C:ASN148	5.0	15.7	1.0
	CB	B:ASN148	5.0	16.7	1.0
	CB	D:ASN148	5.0	17.3	1.0

Reference:

A.N.D.Punchi Hewage, H.Yao, B.Nammalwar, K.K.Gnanasekaran, S.Lovell, R.A.Bunce, K.Eshelman, S.M.Phaniraj, M.M.Lee, B.R.Peterson, K.P.Battaile, A.B.Reitz, M.Rivera. Small Molecule Inhibitors of the Bfrb-Bfd Interaction Decrease Pseudomonas Aeruginosa Fitness and Potentiate Fluoroquinolone Activity. J.Am.Chem.Soc. V. 141 8171 2019.
ISSN: ESSN 1520-5126
PubMed: 31038945
DOI: 10.1021/JACS.9B00394

Page generated: Mon Aug 12 16:58:39 2024

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