Chlorine in PDB 4gki: Crystal Structure of the Aminoglycoside Phosphotransferase Aph(3')-Ia, with Substrate Kanamycin and Small Molecule Inhibitor 1-Nm-PP1

Enzymatic activity of Crystal Structure of the Aminoglycoside Phosphotransferase Aph(3')-Ia, with Substrate Kanamycin and Small Molecule Inhibitor 1-Nm-PP1

All present enzymatic activity of Crystal Structure of the Aminoglycoside Phosphotransferase Aph(3')-Ia, with Substrate Kanamycin and Small Molecule Inhibitor 1-Nm-PP1:
2.7.1.95;

Protein crystallography data

The structure of Crystal Structure of the Aminoglycoside Phosphotransferase Aph(3')-Ia, with Substrate Kanamycin and Small Molecule Inhibitor 1-Nm-PP1, PDB code: 4gki was solved by P.J.Stogios, E.Evdokimova, Z.Wawrzak, G.Minasov, O.Egorova, R.Di Leo, T.Shakya, P.Spanogiannopoulos, N.Todorovic, A.Capretta, G.D.Wright, A.Savchenko, W.F.Anderson, Center For Structural Genomics Ofinfectious Diseases (Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	54.38 / 1.88
*Space group*	P 1
*Cell size a, b, c (Å), α, β, γ (°)*	96.843, 97.103, 112.128, 103.24, 106.18, 112.66
*R / R_free (%)*	16.6 / 21.6

Other elements in 4gki:

The structure of Crystal Structure of the Aminoglycoside Phosphotransferase Aph(3')-Ia, with Substrate Kanamycin and Small Molecule Inhibitor 1-Nm-PP1 also contains other interesting chemical elements:

Sodium

(Na)

14 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of the Aminoglycoside Phosphotransferase Aph(3')-Ia, with Substrate Kanamycin and Small Molecule Inhibitor 1-Nm-PP1 (pdb code 4gki). 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 Crystal Structure of the Aminoglycoside Phosphotransferase Aph(3')-Ia, with Substrate Kanamycin and Small Molecule Inhibitor 1-Nm-PP1, PDB code: 4gki:

Chlorine binding site 1 out of 1 in 4gki

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Chlorine Binding Sites List in 4gki

Chlorine binding site 1 out of 1 in the Crystal Structure of the Aminoglycoside Phosphotransferase Aph(3')-Ia, with Substrate Kanamycin and Small Molecule Inhibitor 1-Nm-PP1

Mono view

Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of the Aminoglycoside Phosphotransferase Aph(3')-Ia, with Substrate Kanamycin and Small Molecule Inhibitor 1-Nm-PP1 within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Cl305 b:62.5 occ:1.00	O	L:HOH540	3.0	38.7	1.0
	NZ	A:LYS245	3.4	38.4	1.0
	N	A:SER242	3.5	23.8	1.0
	O	A:HOH541	3.6	47.2	1.0
	CA	A:SER242	3.7	23.3	1.0
	C	A:PRO241	3.8	24.2	1.0
	CB	A:PRO241	3.9	27.3	1.0
	CG	A:PRO241	3.9	33.9	1.0
	O	A:PRO241	4.0	26.2	1.0
	CB	A:SER242	4.1	29.4	1.0
	O	L:HOH578	4.3	42.8	1.0
	CE	A:LYS245	4.4	76.8	1.0
	CA	A:PRO241	4.5	21.6	1.0
	CD	A:LYS245	4.6	76.0	1.0
	O	L:HOH454	4.8	30.8	1.0
	OG	A:SER242	4.9	31.5	1.0
	O	A:HOH443	5.0	30.7	1.0

Reference:

P.J.Stogios, P.Spanogiannopoulos, E.Evdokimova, O.Egorova, T.Shakya, N.Todorovic, A.Capretta, G.D.Wright, A.Savchenko. Structure-Guided Optimization of Protein Kinase Inhibitors Reverses Aminoglycoside Antibiotic Resistance. Biochem.J. V. 454 191 2013.
ISSN: ISSN 0264-6021
PubMed: 23758273
DOI: 10.1042/BJ20130317

Page generated: Fri Jul 11 15:44:50 2025

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