Chlorine in PDB 4evy: Crystal Structure of Aminoglycoside Antibiotic 6'-N-Acetyltransferase Aac(6')-Ig From Acinetobacter Haemolyticus in Complex with Tobramycin

Enzymatic activity of Crystal Structure of Aminoglycoside Antibiotic 6'-N-Acetyltransferase Aac(6')-Ig From Acinetobacter Haemolyticus in Complex with Tobramycin

All present enzymatic activity of Crystal Structure of Aminoglycoside Antibiotic 6'-N-Acetyltransferase Aac(6')-Ig From Acinetobacter Haemolyticus in Complex with Tobramycin:
2.3.1.82;

Protein crystallography data

The structure of Crystal Structure of Aminoglycoside Antibiotic 6'-N-Acetyltransferase Aac(6')-Ig From Acinetobacter Haemolyticus in Complex with Tobramycin, PDB code: 4evy was solved by P.J.Stogios, E.Evdokimova, G.Minasov, V.Yim, P.Courvalin, A.Savchenko, W.F.Anderson, Center For Structural Genomics Of Infectious Diseases(Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	28.97 / 1.77
*Space group*	P 1
*Cell size a, b, c (Å), α, β, γ (°)*	39.723, 43.789, 46.282, 83.65, 87.49, 68.41
*R / R_free (%)*	16.7 / 21.3

Other elements in 4evy:

The structure of Crystal Structure of Aminoglycoside Antibiotic 6'-N-Acetyltransferase Aac(6')-Ig From Acinetobacter Haemolyticus in Complex with Tobramycin also contains other interesting chemical elements:

Potassium

(K)

2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Aminoglycoside Antibiotic 6'-N-Acetyltransferase Aac(6')-Ig From Acinetobacter Haemolyticus in Complex with Tobramycin (pdb code 4evy). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of Aminoglycoside Antibiotic 6'-N-Acetyltransferase Aac(6')-Ig From Acinetobacter Haemolyticus in Complex with Tobramycin, PDB code: 4evy:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 4evy

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Chlorine Binding Sites List in 4evy

Chlorine binding site 1 out of 3 in the Crystal Structure of Aminoglycoside Antibiotic 6'-N-Acetyltransferase Aac(6')-Ig From Acinetobacter Haemolyticus in Complex with Tobramycin

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 Aminoglycoside Antibiotic 6'-N-Acetyltransferase Aac(6')-Ig From Acinetobacter Haemolyticus in Complex with Tobramycin within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Cl203 b:45.6 occ:0.97	O	A:HOH391	2.7	51.9	1.0
	NH2	A:ARG127	3.4	44.6	1.0
	NE	A:ARG127	3.8	40.8	1.0
	CZ	A:ARG127	4.0	34.8	1.0
	O	A:HOH330	4.4	28.5	1.0
	CB	A:ALA124	4.6	21.1	1.0
	O	A:HOH312	5.0	26.5	1.0

Chlorine binding site 2 out of 3 in 4evy

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Chlorine Binding Sites List in 4evy

Chlorine binding site 2 out of 3 in the Crystal Structure of Aminoglycoside Antibiotic 6'-N-Acetyltransferase Aac(6')-Ig From Acinetobacter Haemolyticus in Complex with Tobramycin

Mono view

Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Aminoglycoside Antibiotic 6'-N-Acetyltransferase Aac(6')-Ig From Acinetobacter Haemolyticus in Complex with Tobramycin within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Cl204 b:30.5 occ:0.75	O	A:HOH325	3.0	31.6	1.0
	N	A:ALA116	3.1	21.4	1.0
	ND2	A:ASN119	3.3	32.6	1.0
	CB	A:ALA116	3.6	27.4	1.0
	C61	A:TOY201	3.9	36.2	1.0
	CA	A:ALA116	4.0	25.2	1.0
	CB	A:ASN119	4.0	21.3	1.0
	O	A:HOH377	4.0	52.6	1.0
	CA	A:ALA115	4.0	17.2	1.0
	C	A:ALA115	4.0	23.3	1.0
	C41	A:TOY201	4.1	33.3	1.0
	CG	A:ASN119	4.1	26.3	1.0
	O41	A:TOY201	4.3	31.9	1.0
	CB	A:ALA115	4.3	19.5	1.0
	C51	A:TOY201	4.5	25.3	1.0
	OG	A:SER122	4.8	28.1	1.0
	O51	A:TOY201	4.9	23.7	1.0
	O	A:ALA116	4.9	23.3	1.0
	CB	A:SER122	4.9	22.8	1.0
	N61	A:TOY201	4.9	35.2	1.0
	C	A:ALA116	5.0	26.6	1.0

Chlorine binding site 3 out of 3 in 4evy

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Chlorine Binding Sites List in 4evy

Chlorine binding site 3 out of 3 in the Crystal Structure of Aminoglycoside Antibiotic 6'-N-Acetyltransferase Aac(6')-Ig From Acinetobacter Haemolyticus in Complex with Tobramycin

Mono view

Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Aminoglycoside Antibiotic 6'-N-Acetyltransferase Aac(6')-Ig From Acinetobacter Haemolyticus in Complex with Tobramycin within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
B:Cl203 b:30.4 occ:0.71	O	B:HOH321	2.8	30.5	1.0
	O	A:HOH384	2.8	33.3	0.5
	ND2	B:ASN119	3.0	33.8	1.0
	N	B:ALA116	3.0	23.2	1.0
	CB	B:ALA116	3.7	24.9	1.0
	O	B:HOH333	3.8	34.8	1.0
	CA	B:ALA115	3.8	19.5	1.0
	C61	B:TOY201	3.9	29.4	1.0
	CB	B:ASN119	3.9	27.4	1.0
	C	B:ALA115	3.9	19.2	1.0
	CG	B:ASN119	3.9	31.0	1.0
	CA	B:ALA116	4.0	23.7	1.0
	C41	B:TOY201	4.1	24.1	1.0
	CB	B:ALA115	4.2	21.7	1.0
	O41	B:TOY201	4.3	32.4	1.0
	O	A:HOH384	4.4	26.5	0.5
	CB	B:SER122	4.5	22.9	1.0
	C51	B:TOY201	4.5	23.6	1.0
	O	B:HOH402	4.5	48.0	1.0
	OG	B:SER122	4.6	24.8	1.0
	N61	B:TOY201	4.8	28.3	1.0
	O	B:ALA116	4.8	22.5	1.0
	O	B:HOH331	4.8	35.0	1.0
	O51	B:TOY201	4.9	22.3	1.0
	C	B:ALA116	5.0	21.9	1.0

Reference:

P.J.Stogios, M.L.Kuhn, E.Evdokimova, M.Law, P.Courvalin, A.Savchenko. Structural and Biochemical Characterization of Acinetobacter Spp. Aminoglycoside Acetyltransferases Highlights Functional and Evolutionary Variation Among Antibiotic Resistance Enzymes. Acs Infect Dis. V. 3 132 2017.
ISSN: ESSN 2373-8227
PubMed: 27785912
DOI: 10.1021/ACSINFECDIS.6B00058

Page generated: Fri Jul 11 15:04:15 2025

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