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BMRB: 16337

1J7I

Backbone resonance assignments for the aminoglycoside phosphotransferase(3')-IIIa

Authors

Ozen, C., Norris, A., Whittemore, N., Steren, C.

Assembly

Complex of APH with antibiotic tobramycin

Entity

1. APH-tobramycin (polymer, Thiol state: all free), 264 monomers, 30973.70 Da Detail

MAKMRISPEL KKLIEKYRCV KDTEGMSPAK VYKLVGENEN LYLKMTDSRY KGTTYDVERE KDMMLWLEGK LPVPKVLHFE RHDGWSNLLM SEADGVLCSE EYEDEQSPEK IIELYAECIR LFHSIDISDC PYTNSLDSRL AELDYLLNND LADVDCENWE EDTPFKDPRE LYDFLKTEKP EEELVFSHGD LGDSNIFVKD GKVSGFIDLG RSGRADKWYD IAFCVRSIRE DIGEEQYVEL FFDLLGIKPD WEKIKYYILL DELF

2. TOY (non-polymer), 467.514 Da

Total weight

31441.213 Da

Max. entity weight

30973.7 Da

Source organism

Enterococcus faecalis

Exptl. method

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 92.4 %, Completeness: 40.8 %, Completeness (bb): 72.1 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	40.8 % (1301 of 3185)	23.6 % (393 of 1665)	55.2 % (690 of 1251)	81.0 % (218 of 269)
Backbone	72.1 % (1127 of 1564)	49.2 % (262 of 532)	83.2 % (647 of 778)	85.8 % (218 of 254)
Sidechain	20.2 % (378 of 1871)	11.7 % (132 of 1133)	34.0 % (246 of 723)	0.0 % (0 of 15)
Aromatic	2.0 % (6 of 298)	4.0 % (6 of 149)	0.0 % (0 of 144)	0.0 % (0 of 5)
Methyl	18.0 % (48 of 266)	16.5 % (22 of 133)	19.5 % (26 of 133)

1. APH-tobramycin

MAKMRISPEL KKLIEKYRCV KDTEGMSPAK VYKLVGENEN LYLKMTDSRY KGTTYDVERE KDMMLWLEGK LPVPKVLHFE RHDGWSNLLM SEADGVLCSE EYEDEQSPEK IIELYAECIR LFHSIDISDC PYTNSLDSRL AELDYLLNND LADVDCENWE EDTPFKDPRE LYDFLKTEKP EEELVFSHGD LGDSNIFVKD GKVSGFIDLG RSGRADKWYD IAFCVRSIRE DIGEEQYVEL FFDLLGIKPD WEKIKYYILL DELF

Show sample condition

Sample

Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4

#	Name	Isotope labeling	Type	Concentration
1	APH-tobramycin	[U-13C; U-15N; U-2H]		250 uM
2	Tris-HCl	natural abundance		25 mM
3	sodium chloride	natural abundance		50 mM
4	DTT	natural abundance		1 mM
5	H2O	natural abundance		93 %
6	D2O	natural abundance		7 %

Release date

2009-11-17

Citation

Backbone resonance assignments of a promiscuous aminoglycoside antibiotic resistance enzyme; the aminoglycoside phosphotransferase(3')-IIIa
Serpersu, E.H., Ozen, C., Norris, A.L., Steren, C., Whittemore, N.
Biomol. NMR Assign. (2010), 4, 9-12, PubMed 19898995 , DOI 10.1007/s12104-009-9195-z , Abstract

Related entities 1. APH-tobramycin, : 1 : 4 : 4 : 24 entities Detail

Experiments performed 6 experiments Detail

1 2D 1H-15N HSQC

Instrument

Varian DMX - 600 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4

#	Name	Isotope labeling	Type	Concentration
1	APH-tobramycin	[U-13C; U-15N; U-2H]		250 uM
2	Tris-HCl	natural abundance		25 mM
3	sodium chloride	natural abundance		50 mM
4	DTT	natural abundance		1 mM
5	H2O	natural abundance		93 %
6	D2O	natural abundance		7 %

2 3D HNCA

Instrument

Varian DMX - 600 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4

#	Name	Isotope labeling	Type	Concentration
1	APH-tobramycin	[U-13C; U-15N; U-2H]		250 uM
2	Tris-HCl	natural abundance		25 mM
3	sodium chloride	natural abundance		50 mM
4	DTT	natural abundance		1 mM
5	H2O	natural abundance		93 %
6	D2O	natural abundance		7 %

3 3D HN(CO)CA

Instrument

Varian DMX - 600 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4

#	Name	Isotope labeling	Type	Concentration
1	APH-tobramycin	[U-13C; U-15N; U-2H]		250 uM
2	Tris-HCl	natural abundance		25 mM
3	sodium chloride	natural abundance		50 mM
4	DTT	natural abundance		1 mM
5	H2O	natural abundance		93 %
6	D2O	natural abundance		7 %

4 3D HNCACB

Instrument

Varian DMX - 600 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4

#	Name	Isotope labeling	Type	Concentration
1	APH-tobramycin	[U-13C; U-15N; U-2H]		250 uM
2	Tris-HCl	natural abundance		25 mM
3	sodium chloride	natural abundance		50 mM
4	DTT	natural abundance		1 mM
5	H2O	natural abundance		93 %
6	D2O	natural abundance		7 %

5 3D HNCO

Instrument

Varian DMX - 600 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4

#	Name	Isotope labeling	Type	Concentration
1	APH-tobramycin	[U-13C; U-15N; U-2H]		250 uM
2	Tris-HCl	natural abundance		25 mM
3	sodium chloride	natural abundance		50 mM
4	DTT	natural abundance		1 mM
5	H2O	natural abundance		93 %
6	D2O	natural abundance		7 %

6 3D 1H-15N NOESY

Instrument

Varian DMX - 600 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4

#	Name	Isotope labeling	Type	Concentration
1	APH-tobramycin	[U-13C; U-15N; U-2H]		250 uM
2	Tris-HCl	natural abundance		25 mM
3	sodium chloride	natural abundance		50 mM
4	DTT	natural abundance		1 mM
5	H2O	natural abundance		93 %
6	D2O	natural abundance		7 %

Chemical shift validation 4 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr16337_3.str
Diamagnetism of the molecular assembly	True (excluding Oxygen atoms)
Whether the assembly has a disulfide bond	None
Whether the assembly has a other bond	None
Whether the assembly contains a cyclic polymer	None
Overall data processing status	Warning

Disulfide bonds

None

Other bonds (neither disulfide, covalent nor hydrogen bonds, e.g. Zinc–sulphur bond)

None

Non-standard residues

None

Content subtype: bmr16337_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	1063		91.3 (chain: 1, length: 264)
1	Chemical shift references	chemical_shift_reference_1	OK	2		No information

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 264, Sequence coverage: 91.3%
- Total number of assignments
  - ¹H chemical shifts: 217
  - ¹³C chemical shifts: 631
  - ¹⁵N chemical shifts: 215
- Completeness of assignments
  - Entity_assemble_ID: 1
- Redox state of CYS
- Peptide bond of PRO
- Histogram of normalized assigned chemical shifts
- Random coil index and derived parameters (S² and NMR RMSD)
  - Chain_ID: 1

Keywords NMR