BMRBj - BMREntryMaster

Found 1 Document (0.699 seconds)

BMRB: 27081

5WLP

1H, 13C, and 15N backbone and side chain resonance assignments for a structured domain in atg32

Authors

Xia, X., Pellegrini, M., Ragusa, M.J.

Assembly

atg32

Entity

1. atg32 (polymer, Thiol state: all free), 145 monomers, 16722.43 Da Detail

SNATNSFVMP KLSLTQKNPV FRLLILGRTG SSFYQSIPKE YQSLFELPKY HDSATFPQYT GIVIIFQELR EMVSLLNRIV QYSQGKPVIP ICQPGQVIQV KNVLKSFLRN KLVKLLFPPV VVTNKRDLKK MFQRLQDLSL EYGED

Formula weight

16722.43 Da

Source organism

Saccharomyces cerevisiae

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 96.6 %, Completeness: 88.5 %, Completeness (bb): 95.5 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	88.5 % (1615 of 1824)	90.0 % (864 of 960)	86.1 % (611 of 710)	90.9 % (140 of 154)
Backbone	95.5 % (812 of 850)	95.1 % (272 of 286)	95.8 % (411 of 429)	95.6 % (129 of 135)
Sidechain	84.1 % (936 of 1113)	87.8 % (592 of 674)	79.3 % (333 of 420)	57.9 % (11 of 19)
Aromatic	40.1 % (57 of 142)	76.1 % (54 of 71)	4.2 % (3 of 71)
Methyl	98.3 % (177 of 180)	100.0 % (90 of 90)	96.7 % (87 of 90)

1. atg32

SNATNSFVMP KLSLTQKNPV FRLLILGRTG SSFYQSIPKE YQSLFELPKY HDSATFPQYT GIVIIFQELR EMVSLLNRIV QYSQGKPVIP ICQPGQVIQV KNVLKSFLRN KLVKLLFPPV VVTNKRDLKK MFQRLQDLSL EYGED

Show sample condition

Sample #1

Solvent system 99% H2O 1% D2O, Pressure 1 atm, Temperature 308 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	atg32	[U-99% 13C; U-99% 15N]	750 uM
2	sodium phosphate	natural abundance	20 mM
3	sodium chloride	natural abundance	100 mM
4	TCEP	natural abundance	0.2 mM

Sample #2

Solvent system 100% D2O, Pressure 1 atm, Temperature 308 K, pH 6.5

#	Name	Isotope labeling	Concentration
5	atg32	natural abundance	370 uM
6	sodium phosphate	natural abundance	20 mM
7	sodium chloride	natural abundance	100 mM
8	TCEP	natural abundance	0.2 mM

LACS Plot; CA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	na	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: -0.16 ppm, Outliers: 3 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	na	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: -0.16 ppm, Outliers: 3 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	na	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: -0.02 ppm, Outliers: 2 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	na	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: 0.3 ppm, Outliers: 2 Detail

Release date

2017-04-23

Citation

Backbone and side chain resonance assignments for a structured domain within Atg32
Xia, X., Pellegrini, M., Ragusa, M.J.
Biomol. NMR Assign. (2017), 11, 211-214, PubMed 28766175 , DOI 10.1007/s12104-017-9750-y , Abstract

Related entities 1. atg32, : 2 : 6 entities Detail

Interaction partners 1. atg32, : 10 interactors Detail

More details for 10 interactors identified by 5 citations

Experiments performed 18 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker Ascend - 850 MHz

Sample

State isotropic, Solvent system 99% H2O 1% D2O, Pressure 1 atm, Temperature 308 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	atg32	[U-99% 13C; U-99% 15N]	750 uM
2	sodium phosphate	natural abundance	20 mM
3	sodium chloride	natural abundance	100 mM
4	TCEP	natural abundance	0.2 mM

2 2D 1H-13C HSQC aliphatic

Instrument

Bruker Ascend - 850 MHz

Sample

State isotropic, Solvent system 99% H2O 1% D2O, Pressure 1 atm, Temperature 308 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	atg32	[U-99% 13C; U-99% 15N]	750 uM
2	sodium phosphate	natural abundance	20 mM
3	sodium chloride	natural abundance	100 mM
4	TCEP	natural abundance	0.2 mM

3 3D HNCACB

Instrument

Bruker Ascend - 850 MHz

Sample

State isotropic, Solvent system 99% H2O 1% D2O, Pressure 1 atm, Temperature 308 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	atg32	[U-99% 13C; U-99% 15N]	750 uM
2	sodium phosphate	natural abundance	20 mM
3	sodium chloride	natural abundance	100 mM
4	TCEP	natural abundance	0.2 mM

4 3D HNCA

Instrument

Bruker Avance - 700 MHz

Sample

State isotropic, Solvent system 99% H2O 1% D2O, Pressure 1 atm, Temperature 308 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	atg32	[U-99% 13C; U-99% 15N]	750 uM
2	sodium phosphate	natural abundance	20 mM
3	sodium chloride	natural abundance	100 mM
4	TCEP	natural abundance	0.2 mM

5 3D HNCO

Instrument

Bruker Avance - 700 MHz

Sample

State isotropic, Solvent system 99% H2O 1% D2O, Pressure 1 atm, Temperature 308 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	atg32	[U-99% 13C; U-99% 15N]	750 uM
2	sodium phosphate	natural abundance	20 mM
3	sodium chloride	natural abundance	100 mM
4	TCEP	natural abundance	0.2 mM

6 3D HN(CO)CA

Instrument

Bruker Avance - 700 MHz

Sample

State isotropic, Solvent system 99% H2O 1% D2O, Pressure 1 atm, Temperature 308 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	atg32	[U-99% 13C; U-99% 15N]	750 uM
2	sodium phosphate	natural abundance	20 mM
3	sodium chloride	natural abundance	100 mM
4	TCEP	natural abundance	0.2 mM

7 3D CBCA(CO)NH

Instrument

Bruker Avance - 700 MHz

Sample

State isotropic, Solvent system 99% H2O 1% D2O, Pressure 1 atm, Temperature 308 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	atg32	[U-99% 13C; U-99% 15N]	750 uM
2	sodium phosphate	natural abundance	20 mM
3	sodium chloride	natural abundance	100 mM
4	TCEP	natural abundance	0.2 mM

8 3D HBHA(CO)NH

Instrument

Bruker Avance - 700 MHz

Sample

State isotropic, Solvent system 99% H2O 1% D2O, Pressure 1 atm, Temperature 308 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	atg32	[U-99% 13C; U-99% 15N]	750 uM
2	sodium phosphate	natural abundance	20 mM
3	sodium chloride	natural abundance	100 mM
4	TCEP	natural abundance	0.2 mM

9 3D H(CCO)NH

Instrument

Bruker Avance - 700 MHz

Sample

State isotropic, Solvent system 99% H2O 1% D2O, Pressure 1 atm, Temperature 308 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	atg32	[U-99% 13C; U-99% 15N]	750 uM
2	sodium phosphate	natural abundance	20 mM
3	sodium chloride	natural abundance	100 mM
4	TCEP	natural abundance	0.2 mM

10 3D C(CO)NH

Instrument

Bruker Avance - 700 MHz

Sample

State isotropic, Solvent system 99% H2O 1% D2O, Pressure 1 atm, Temperature 308 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	atg32	[U-99% 13C; U-99% 15N]	750 uM
2	sodium phosphate	natural abundance	20 mM
3	sodium chloride	natural abundance	100 mM
4	TCEP	natural abundance	0.2 mM

11 3D HCCH-COSY

Instrument

Bruker Ascend - 850 MHz

Sample

State isotropic, Solvent system 99% H2O 1% D2O, Pressure 1 atm, Temperature 308 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	atg32	[U-99% 13C; U-99% 15N]	750 uM
2	sodium phosphate	natural abundance	20 mM
3	sodium chloride	natural abundance	100 mM
4	TCEP	natural abundance	0.2 mM

12 3D HCCH-TOCSY

Instrument

Bruker Ascend - 850 MHz

Sample

State isotropic, Solvent system 99% H2O 1% D2O, Pressure 1 atm, Temperature 308 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	atg32	[U-99% 13C; U-99% 15N]	750 uM
2	sodium phosphate	natural abundance	20 mM
3	sodium chloride	natural abundance	100 mM
4	TCEP	natural abundance	0.2 mM

13 3D 1H-15N NOESY

Instrument

Bruker Ascend - 850 MHz

Sample

State isotropic, Solvent system 99% H2O 1% D2O, Pressure 1 atm, Temperature 308 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	atg32	[U-99% 13C; U-99% 15N]	750 uM
2	sodium phosphate	natural abundance	20 mM
3	sodium chloride	natural abundance	100 mM
4	TCEP	natural abundance	0.2 mM

14 3D 1H-13C NOESY aliphatic

Instrument

Bruker Ascend - 850 MHz

Sample

State isotropic, Solvent system 99% H2O 1% D2O, Pressure 1 atm, Temperature 308 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	atg32	[U-99% 13C; U-99% 15N]	750 uM
2	sodium phosphate	natural abundance	20 mM
3	sodium chloride	natural abundance	100 mM
4	TCEP	natural abundance	0.2 mM

15 2D DQF-COSY

Instrument

Bruker Avance - 700 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 308 K, pH 6.5

#	Name	Isotope labeling	Concentration
5	atg32	natural abundance	370 uM
6	sodium phosphate	natural abundance	20 mM
7	sodium chloride	natural abundance	100 mM
8	TCEP	natural abundance	0.2 mM

16 2D 1H-1H NOESY

Instrument

Bruker Avance - 700 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 308 K, pH 6.5

#	Name	Isotope labeling	Concentration
5	atg32	natural abundance	370 uM
6	sodium phosphate	natural abundance	20 mM
7	sodium chloride	natural abundance	100 mM
8	TCEP	natural abundance	0.2 mM

17 2D 1H-1H TOCSY

Instrument

Bruker Avance - 700 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 308 K, pH 6.5

#	Name	Isotope labeling	Concentration
5	atg32	natural abundance	370 uM
6	sodium phosphate	natural abundance	20 mM
7	sodium chloride	natural abundance	100 mM
8	TCEP	natural abundance	0.2 mM

18 3D HN(CA)CO

Instrument

Bruker Avance - 700 MHz

Sample

State isotropic, Solvent system 99% H2O 1% D2O, Pressure 1 atm, Temperature 308 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	atg32	[U-99% 13C; U-99% 15N]	750 uM
2	sodium phosphate	natural abundance	20 mM
3	sodium chloride	natural abundance	100 mM
4	TCEP	natural abundance	0.2 mM

NMR combined restraints 4 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints	combined_27081_5wlp.nef
Input source #2: Coordindates	5wlp.cif
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

Sequence alignments

Entity_assembly_ID (NMR): A vs Auth_asym_ID (model): A

--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100
SNATNSFVMPKLSLTQKNPVFRLLILGRTGSSFYQSIPKEYQSLFELPKYHDSATFPQYTGIVIIFQELREMVSLLNRIVQYSQGKPVIPICQPGQVIQV
||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
SNATNSFVMPKLSLTQKNPVFRLLILGRTGSSFYQSIPKEYQSLFELPKYHDSATFPQYTGIVIIFQELREMVSLLNRIVQYSQGKPVIPICQPGQVIQV

-------110-------120-------130-------140-----
KNVLKSFLRNKLVKLLFPPVVVTNKRDLKKMFQRLQDLSLEYGED
|||||||||||||||||||||||||||||||||||||||||||||
KNVLKSFLRNKLVKLLFPPVVVTNKRDLKKMFQRLQDLSLEYGED

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	145	0	0	100.0

Content subtype: combined_27081_5wlp.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	1601		96.6 (chain: A, length: 145)
1	Distance restraints	CNS/XPLOR_distance_constraints_2	OK	2833 (1)	noe	95.9 (chain: A, length: 145)
1	Dihedral angle restraints	CNS/XPLOR_dihedral_3	OK	108 (108)	.	77.9 (chain: A, length: 145)

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 145, Sequence coverage: 96.6%
- Total number of assignments
  - ¹H chemical shifts: 858
  - ¹³C chemical shifts: 603
  - ¹⁵N chemical shifts: 140
- Completeness of assignments
  - Entity_assemble_ID: A
- Redox state of CYS
- Peptide bond of PRO
- Rotameric state of ILE , LEU, and VAL
- Histogram of normalized assigned chemical shifts
- Random coil index and derived parameters (S² and NMR RMSD)
  - Chain_ID: A

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	960	858	89.4
¹³C chemical shifts	710	603	84.9
¹⁵N chemical shifts	161	140	87.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	286	273	95.5
¹³C chemical shifts	290	278	95.9
¹⁵N chemical shifts	135	129	95.6

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	674	585	86.8
¹³C chemical shifts	420	325	77.4
¹⁵N chemical shifts	26	11	42.3

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	93	91	97.8
¹³C chemical shifts	93	88	94.6

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	71	53	74.6
¹³C chemical shifts	71	0	0.0

Distance restraints

Saveframe: CNS/XPLOR_distance_constraints_2
- Status: OK
- Experiment type: noe
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 145, Sequence coverage: 95.9%
- Total number of restraints: 2822
- Weight of restraints: 1.0 (2822)
- Potential type of restraints: square-well-parabolic (2822)
- Range of distance target values: 1.28, 2.75 (Å)
- Histogram of distance target values
- Histogram of discrepancy in distance target values
- Distance restraints per residue
  - Chain_ID: A
- Distance restraints on contact map

Dihedral angle restraints

Saveframe: CNS/XPLOR_dihedral_3
- Status: OK
- Experiment type: .
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 145, Sequence coverage: 77.9%
- Total number of restraints: 108
- Total number of restraints per polymer type: 108
- Weight of restraints: 1.0 (108)
- Potential type of restraints: square-well-parabolic (108)
- Dihedral angle restraints per residue
  - Chain_ID: A

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Found 1 Document (0.699 seconds)

BMRB: 27081

Sample #1

Sample #2

Chemical shift reference

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. atg32, : 2 : 6 entities Detail

Interaction partners 1. atg32, : 10 interactors Detail

Experiments performed 18 experiments Detail

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NMR combined restraints 4 contents Detail