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BMRB: 18341

4ASV

Sgt2_NT

Authors

Simon, A.C., Simpson, P.J., Isaacson, R.L.

Assembly

Sgt2 NT homodimer

Entity

1. Sgt2 NT homodimer (polymer, Thiol state: all free), 92 monomers, 10081.02 × 2 Da Detail

MAHHHHHHVD DDDKMSASKE EIAALIVNYF SSIVEKKEIS EDGADSLNVA MDCISEAFGF EREAVSGILG KSEFKGQHLA DILNSASRVP ES

Total weight

20162.04 Da

Max. entity weight

10081.02 Da

Source organism

Saccharomyces cerevisiae

Exptl. method

solution NMR

Refine. method

ARIA

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 87.0 %, Completeness: 84.8 %, Completeness (bb): 85.3 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	84.8 % (860 of 1014)	84.6 % (441 of 521)	84.4 % (336 of 398)	87.4 % (83 of 95)
Backbone	85.3 % (469 of 550)	85.1 % (160 of 188)	84.9 % (230 of 271)	86.8 % (79 of 91)
Sidechain	84.6 % (466 of 551)	84.4 % (281 of 333)	84.6 % (181 of 214)	100.0 % (4 of 4)
Aromatic	65.8 % (50 of 76)	65.8 % (25 of 38)	65.8 % (25 of 38)
Methyl	93.5 % (86 of 92)	93.5 % (43 of 46)	93.5 % (43 of 46)

1. Sgt2 nt

MAHHHHHHVD DDDKMSASKE EIAALIVNYF SSIVEKKEIS EDGADSLNVA MDCISEAFGF EREAVSGILG KSEFKGQHLA DILNSASRVP ES

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 308 K, pH 6.0, Details Sgt2_NT residues 1-78 with 14 amino acid tag MAHHHHHHVDDDDKmsaskeeiaalivnyfssivekkeisedgadslnvamdciseafgfereavsgilgksefkgqhladilnsasrvpes

#	Name	Isotope labeling	Concentration
1	Sgt2_nt	[U-98% 13C; U-98% 15N]	700 uM
2	MES	natural abundance	100 mM
3	potassium chloride	natural abundance	150 mM
4	TCEP	natural abundance	0.5 mM
5	H2O	natural abundance	90 %
6	D2O	natural abundance	10 %

Sample #2

Solvent system 100% D2O, Pressure 1 atm, Temperature 308 K, pH 6.0, Details Sgt2_NT residues 1-78 with 14 amino acid tag MAHHHHHHVDDDDKmsaskeeiaalivnyfssivekkeisedgadslnvamdciseafgfereavsgilgksefkgqhladilnsasrvpes

#	Name	Isotope labeling	Concentration
7	Sgt2_nt	[U-100% 13C; U-100% 15N]	500 uM
8	MES	natural abundance	100 mM
9	potassium chloride	natural abundance	150 mM
10	TCEP	natural abundance	0.5 mM
11	D2O	natural abundance	100 %

Sample #3

#	Name	Isotope labeling	Concentration
12	Sgt2_nt	[U-98% 13C; U-98% 15N]	700 uM
13	MES	natural abundance	100 mM
14	potassium chloride	natural abundance	150 mM
15	TCEP	natural abundance	0.5 mM
16	D2O	natural abundance	100 %

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: -0.05 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: -0.05 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: 0.06 ppm, Outliers: 3 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: -0.16 ppm, Outliers: 2 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 4ASV, Strand ID: A, B Detail

Release date

2012-11-14

Citation

1H, 13C and 15N assignments of Sgt2 N-terminal dimerisation domain and its binding partner, Get5 Ubiquitin-like domain
Simon, A.C., Simpson, P.J., Hawthorne, W., Hale, L.R., Goldstone, R.M., Isaacson, R.L.
Biomol. NMR Assign. (2013), 7, 271-274, PubMed 23001946 , DOI 10.1007/s12104-012-9425-7 , Abstract

Related entities 1. Sgt2 NT homodimer, : 1 : 3 : 8 entities Detail

Interaction partners 1. Sgt2 NT homodimer, : 20 interactors Detail

More details for 20 interactors identified by 8 citations

Experiments performed 14 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 308 K, pH 6.0, Details Sgt2_NT residues 1-78 with 14 amino acid tag MAHHHHHHVDDDDKmsaskeeiaalivnyfssivekkeisedgadslnvamdciseafgfereavsgilgksefkgqhladilnsasrvpes

#	Name	Isotope labeling	Concentration
1	Sgt2_nt	[U-98% 13C; U-98% 15N]	700 uM
2	MES	natural abundance	100 mM
3	potassium chloride	natural abundance	150 mM
4	TCEP	natural abundance	0.5 mM
5	H2O	natural abundance	90 %
6	D2O	natural abundance	10 %

2 3D HNCACB

Instrument

Bruker Avance - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	Sgt2_nt	[U-98% 13C; U-98% 15N]	700 uM
2	MES	natural abundance	100 mM
3	potassium chloride	natural abundance	150 mM
4	TCEP	natural abundance	0.5 mM
5	H2O	natural abundance	90 %
6	D2O	natural abundance	10 %

3 3D CBCA(CO)NH

Instrument

Bruker Avance - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	Sgt2_nt	[U-98% 13C; U-98% 15N]	700 uM
2	MES	natural abundance	100 mM
3	potassium chloride	natural abundance	150 mM
4	TCEP	natural abundance	0.5 mM
5	H2O	natural abundance	90 %
6	D2O	natural abundance	10 %

4 3D HNCO

Instrument

Bruker Avance - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	Sgt2_nt	[U-98% 13C; U-98% 15N]	700 uM
2	MES	natural abundance	100 mM
3	potassium chloride	natural abundance	150 mM
4	TCEP	natural abundance	0.5 mM
5	H2O	natural abundance	90 %
6	D2O	natural abundance	10 %

5 3D HN(CA)CO

Instrument

Bruker Avance - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	Sgt2_nt	[U-98% 13C; U-98% 15N]	700 uM
2	MES	natural abundance	100 mM
3	potassium chloride	natural abundance	150 mM
4	TCEP	natural abundance	0.5 mM
5	H2O	natural abundance	90 %
6	D2O	natural abundance	10 %

6 3D HBHA(CO)NH

Instrument

Bruker Avance - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	Sgt2_nt	[U-98% 13C; U-98% 15N]	700 uM
2	MES	natural abundance	100 mM
3	potassium chloride	natural abundance	150 mM
4	TCEP	natural abundance	0.5 mM
5	H2O	natural abundance	90 %
6	D2O	natural abundance	10 %

7 3D HCCH-TOCSY

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 308 K, pH 6.0, Details Sgt2_NT residues 1-78 with 14 amino acid tag MAHHHHHHVDDDDKmsaskeeiaalivnyfssivekkeisedgadslnvamdciseafgfereavsgilgksefkgqhladilnsasrvpes

#	Name	Isotope labeling	Concentration
12	Sgt2_nt	[U-98% 13C; U-98% 15N]	700 uM
13	MES	natural abundance	100 mM
14	potassium chloride	natural abundance	150 mM
15	TCEP	natural abundance	0.5 mM
16	D2O	natural abundance	100 %

8 3D 1H-15N NOESY

Instrument

Oxford Bespoke - 950 MHz

Sample

#	Name	Isotope labeling	Concentration
1	Sgt2_nt	[U-98% 13C; U-98% 15N]	700 uM
2	MES	natural abundance	100 mM
3	potassium chloride	natural abundance	150 mM
4	TCEP	natural abundance	0.5 mM
5	H2O	natural abundance	90 %
6	D2O	natural abundance	10 %

9 3D H(CCO)NH

Instrument

Bruker Avance - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	Sgt2_nt	[U-98% 13C; U-98% 15N]	700 uM
2	MES	natural abundance	100 mM
3	potassium chloride	natural abundance	150 mM
4	TCEP	natural abundance	0.5 mM
5	H2O	natural abundance	90 %
6	D2O	natural abundance	10 %

10 3D (H)CCH-TOCSY

Instrument

Bruker Avance - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
12	Sgt2_nt	[U-98% 13C; U-98% 15N]	700 uM
13	MES	natural abundance	100 mM
14	potassium chloride	natural abundance	150 mM
15	TCEP	natural abundance	0.5 mM
16	D2O	natural abundance	100 %

11 3D 1H-13C NOESY

Instrument

Bruker Avance - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
12	Sgt2_nt	[U-98% 13C; U-98% 15N]	700 uM
13	MES	natural abundance	100 mM
14	potassium chloride	natural abundance	150 mM
15	TCEP	natural abundance	0.5 mM
16	D2O	natural abundance	100 %

12 2D 1H-13C HSQC aliphatic

Instrument

Bruker Avance - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
12	Sgt2_nt	[U-98% 13C; U-98% 15N]	700 uM
13	MES	natural abundance	100 mM
14	potassium chloride	natural abundance	150 mM
15	TCEP	natural abundance	0.5 mM
16	D2O	natural abundance	100 %

13 2D 1H-13C HSQC aromatic

Instrument

Bruker Avance - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
12	Sgt2_nt	[U-98% 13C; U-98% 15N]	700 uM
13	MES	natural abundance	100 mM
14	potassium chloride	natural abundance	150 mM
15	TCEP	natural abundance	0.5 mM
16	D2O	natural abundance	100 %

14 3D F1 1H(13C,15N)-reject 13C NOESY

Instrument

Bruker Avance - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
7	Sgt2_nt	[U-100% 13C; U-100% 15N]	500 uM
8	MES	natural abundance	100 mM
9	potassium chloride	natural abundance	150 mM
10	TCEP	natural abundance	0.5 mM
11	D2O	natural abundance	100 %

NMR combined restraints 5 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints	combined_18341_4asv.nef
Input source #2: Coordindates	4asv.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--
MAHHHHHHVDDDDMMSASKEEIAALIVNYFSSIVEKKEISEDGADSLNVAMDCISEAFGFEREAVSGILGKSEFKGQHLADILNSASRVPES
||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
MAHHHHHHVDDDDMMSASKEEIAALIVNYFSSIVEKKEISEDGADSLNVAMDCISEAFGFEREAVSGILGKSEFKGQHLADILNSASRVPES

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

--------10--------20--------30--------40--------50--------60--------70--------80--------90--
MAHHHHHHVDDDDMMSASKEEIAALIVNYFSSIVEKKEISEDGADSLNVAMDCISEAFGFEREAVSGILGKSEFKGQHLADILNSASRVPES
||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
MAHHHHHHVDDDDMMSASKEEIAALIVNYFSSIVEKKEISEDGADSLNVAMDCISEAFGFEREAVSGILGKSEFKGQHLADILNSASRVPES

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	92	0	0	100.0
B	B	92	0	0	100.0

Content subtype: combined_18341_4asv.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assignments_sgt2nt_93	Warning	850		84.8 (chain: A, length: 92)
1	Distance restraints	CNS/XPLOR_distance_constraints_2	Warning	5882 (1)	noe	84.8 (chain: A, length: 92), 84.8 (chain: B, length: 92)
2	Distance restraints	CNS/XPLOR_distance_constraints_4	OK	124 (1)	hbond	46.7 (chain: A, length: 92), 51.1 (chain: B, length: 92)
1	Dihedral angle restraints	CNS/XPLOR_dihedral_3	OK	204 (204)	.	64.1 (chain: A, length: 92), 64.1 (chain: B, length: 92)

Assigned chemical shifts

Saveframe: assignments_sgt2nt_93
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 92, Sequence coverage: 84.8%
- Total number of assignments
  - ¹H chemical shifts: 439
  - ¹³C chemical shifts: 329
  - ¹⁵N chemical shifts: 82
- Completeness of assignments
  - Entity_assemble_ID: A
- Redox state of CYS
- Peptide bond of PRO
- Tautomeric state of HIS
- 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	518	439	84.7
¹³C chemical shifts	397	329	82.9
¹⁵N chemical shifts	97	82	84.5

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	188	159	84.6
¹³C chemical shifts	184	151	82.1
¹⁵N chemical shifts	91	76	83.5

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	330	280	84.8
¹³C chemical shifts	213	178	83.6
¹⁵N chemical shifts	6	6	100.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	50	44	88.0
¹³C chemical shifts	50	44	88.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	38	24	63.2
¹³C chemical shifts	38	24	63.2

Distance restraints

Saveframe: CNS/XPLOR_distance_constraints_2
- Status: Warning
- Experiment type: noe
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 92, Sequence coverage: 84.8%
  - Entity_assembly_ID: B, Chain length: 92, Sequence coverage: 84.8%
- Total number of restraints: 5880
- Weight of restraints: 1.0 (5880)
- Potential type of restraints: square-well-parabolic (5880)
- Range of distance target values: 1.45, 10.05 (Å)
- Histogram of distance target values
- Histogram of discrepancy in distance target values
- Distance restraints per residue
  - Chain_ID: A
  - Chain_ID: B
- Distance restraints on contact map
- Saveframe: CNS/XPLOR_distance_constraints_4
  - Status: OK
  - Experiment type: hbond
  - Sequence coverage of experimental data
    - Entity_assembly_ID: A, Chain length: 92, Sequence coverage: 46.7%
    - Entity_assembly_ID: B, Chain length: 92, Sequence coverage: 51.1%
  - Total number of restraints: 124
  - Weight of restraints: 1.0 (124)
  - Potential type of restraints: square-well-parabolic (124)
  - Range of distance target values: 2.15, 3.0 (Å)
  - Histogram of distance target values
  - Distance restraints per residue
    - Chain_ID: A
    - Chain_ID: B
  - 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: 92, Sequence coverage: 64.1%
  - Entity_assembly_ID: B, Chain length: 92, Sequence coverage: 64.1%
- Total number of restraints: 204
- Total number of restraints per polymer type: 204
- Weight of restraints: 1.0 (204)
- Potential type of restraints: square-well-parabolic (204)
- Plot of Phi-Psi angle restraints
- Dihedral angle restraints per residue
  - Chain_ID: A
  - Chain_ID: B

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Found 1 Document (1.007 seconds)

BMRB: 18341

Sample #1

Sample #2

Sample #3

Chemical shift reference

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. Sgt2 NT homodimer, : 1 : 3 : 8 entities Detail

Interaction partners 1. Sgt2 NT homodimer, : 20 interactors Detail

Experiments performed 14 experiments Detail

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NMR combined restraints 5 contents Detail