BMRBj - BMREntryMaster

Found 1 Document (0.394 seconds)

BMRB: 34668

Solution structure of the chimeric Nrd1-Nab3 heterodimerization domains

Authors

Chaves-Arquero, B., Martinez-Lumbreras, S., Perez-Canadillas, J.M.

Assembly

unit 1

Entity

1. unit 1 (polymer, Thiol state: not present), 125 monomers, 13929.74 Da Detail

TANTASQQLS LDPKQRSKQI LSNLKKSPPL NLNISLPTDL TSTDPAKQQA ALFQVIAALQ KHFKTNMENV NYDLLQKQVK YIMDSNMLNL PQFQHLPQEE KMSAILAMLN SNSDTALSVP PHDST

Formula weight

13929.74 Da

Source organism

Saccharomyces cerevisiae

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 95.7 %, Completeness (bb): 98.2 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	95.7 % (1421 of 1485)	96.3 % (750 of 779)	94.0 % (531 of 565)	99.3 % (140 of 141)
Backbone	98.2 % (719 of 732)	98.8 % (238 of 241)	97.3 % (365 of 375)	100.0 % (116 of 116)
Sidechain	93.8 % (824 of 878)	95.2 % (512 of 538)	91.4 % (288 of 315)	96.0 % (24 of 25)
Aromatic	55.2 % (32 of 58)	89.7 % (26 of 29)	20.7 % (6 of 29)
Methyl	99.3 % (143 of 144)	98.6 % (71 of 72)	100.0 % (72 of 72)

1. entity 1

TANTASQQLS LDPKQRSKQI LSNLKKSPPL NLNISLPTDL TSTDPAKQQA ALFQVIAALQ KHFKTNMENV NYDLLQKQVK YIMDSNMLNL PQFQHLPQEE KMSAILAMLN SNSDTALSVP PHDST

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 5.1

#	Name	Isotope labeling	Concentration
1	sodium acetate	natural abundance	10 mM
2	sodium chloride	natural abundance	25 mM
3	DTT	natural abundance	1 mM
4	Nrd1-Nab3 chimera	[U-100% 13C; U-100% 15N]	1000 uM

Sample #2

Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 5.1

#	Name	Isotope labeling	Concentration
5	sodium acetate	natural abundance	10 mM
6	sodium chloride	natural abundance	25 mM
7	DTT	natural abundance	1 mM
8	Nrd1-Nab3 chimera	[U-100% 13C; U-100% 15N]	1000 uM

Sample #3

Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 5.1

#	Name	Isotope labeling	Concentration
9	sodium acetate	natural abundance	10 mM
10	sodium chloride	natural abundance	25 mM
11	DTT	natural abundance	1 mM
12	Nrd1-Nab3 chimera	[13C - methyl (IVL)]	1000 uM

Sample #4

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 5.1

#	Name	Isotope labeling	Concentration
13	sodium acetate	natural abundance	10 mM
14	sodium chloride	natural abundance	25 mM
15	DTT	natural abundance	1 mM
16	Nrd1-Nab3 chimera	natural abundance	1000 uM

Sample #5

Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 5.1

#	Name	Isotope labeling	Concentration
17	sodium acetate	natural abundance	10 mM
18	sodium chloride	natural abundance	25 mM
19	DTT	natural abundance	1 mM
20	Nrd1-Nab3 chimera	natural abundance	1000 uM

Release date

2021-10-14

Citation

Structural basis of Nrd1-Nab3 heterodimerization
Chaves-Arquero, B., Martinez-Lumbreras, S., Camero, S., Santiveri, C.M., Mirassou, Y., Campos-Olivas, R., Jimenez, M.A., Calvo, O., Perez-Canadillas, J.M.
Life Sci. Alliance (2022), 5, e202101252-e202101252, PubMed 35022249 , DOI 10.26508/lsa.202101252 , Abstract

Related entities 1. unit 1, : 3 entities Detail

Experiments performed 12 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker AVANCE - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 5.1

#	Name	Isotope labeling	Concentration
1	sodium acetate	natural abundance	10 mM
2	sodium chloride	natural abundance	25 mM
3	DTT	natural abundance	1 mM
4	Nrd1-Nab3 chimera	[U-100% 13C; U-100% 15N]	1000 uM

2 2D 1H-13C HSQC

Instrument

Bruker AVANCE - 800 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 5.1

#	Name	Isotope labeling	Concentration
5	sodium acetate	natural abundance	10 mM
6	sodium chloride	natural abundance	25 mM
7	DTT	natural abundance	1 mM
8	Nrd1-Nab3 chimera	[U-100% 13C; U-100% 15N]	1000 uM

3 3D HNCA

Instrument

Bruker AVANCE - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 5.1

#	Name	Isotope labeling	Concentration
1	sodium acetate	natural abundance	10 mM
2	sodium chloride	natural abundance	25 mM
3	DTT	natural abundance	1 mM
4	Nrd1-Nab3 chimera	[U-100% 13C; U-100% 15N]	1000 uM

4 3D HNCO

Instrument

Bruker AVANCE - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 5.1

#	Name	Isotope labeling	Concentration
1	sodium acetate	natural abundance	10 mM
2	sodium chloride	natural abundance	25 mM
3	DTT	natural abundance	1 mM
4	Nrd1-Nab3 chimera	[U-100% 13C; U-100% 15N]	1000 uM

5 3D CBCA(CO)NH

Instrument

Bruker AVANCE - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 5.1

#	Name	Isotope labeling	Concentration
1	sodium acetate	natural abundance	10 mM
2	sodium chloride	natural abundance	25 mM
3	DTT	natural abundance	1 mM
4	Nrd1-Nab3 chimera	[U-100% 13C; U-100% 15N]	1000 uM

6 3D HNCACB

Instrument

Bruker AVANCE - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 5.1

#	Name	Isotope labeling	Concentration
1	sodium acetate	natural abundance	10 mM
2	sodium chloride	natural abundance	25 mM
3	DTT	natural abundance	1 mM
4	Nrd1-Nab3 chimera	[U-100% 13C; U-100% 15N]	1000 uM

7 3D HCCH-TOCSY

Instrument

Bruker AVANCE - 800 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 5.1

#	Name	Isotope labeling	Concentration
5	sodium acetate	natural abundance	10 mM
6	sodium chloride	natural abundance	25 mM
7	DTT	natural abundance	1 mM
8	Nrd1-Nab3 chimera	[U-100% 13C; U-100% 15N]	1000 uM

8 2D 1H-1H NOESY

Instrument

Bruker AVANCE - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 5.1

#	Name	Isotope labeling	Concentration
13	sodium acetate	natural abundance	10 mM
14	sodium chloride	natural abundance	25 mM
15	DTT	natural abundance	1 mM
16	Nrd1-Nab3 chimera	natural abundance	1000 uM

9 2D 1H-1H NOESY

Instrument

Bruker AVANCE - 800 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 5.1

#	Name	Isotope labeling	Concentration
17	sodium acetate	natural abundance	10 mM
18	sodium chloride	natural abundance	25 mM
19	DTT	natural abundance	1 mM
20	Nrd1-Nab3 chimera	natural abundance	1000 uM

10 3D 1H-15N NOESY

Instrument

Bruker AVANCE - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 5.1

#	Name	Isotope labeling	Concentration
1	sodium acetate	natural abundance	10 mM
2	sodium chloride	natural abundance	25 mM
3	DTT	natural abundance	1 mM
4	Nrd1-Nab3 chimera	[U-100% 13C; U-100% 15N]	1000 uM

11 3D 1H-13C NOESY

Instrument

Bruker AVANCE - 800 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 5.1

#	Name	Isotope labeling	Concentration
9	sodium acetate	natural abundance	10 mM
10	sodium chloride	natural abundance	25 mM
11	DTT	natural abundance	1 mM
12	Nrd1-Nab3 chimera	[13C - methyl (IVL)]	1000 uM

12 3D 1H-13C HSQC NOESY 1H-13C HSQC

Instrument

Bruker AVANCE - 800 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 5.1

#	Name	Isotope labeling	Concentration
9	sodium acetate	natural abundance	10 mM
10	sodium chloride	natural abundance	25 mM
11	DTT	natural abundance	1 mM
12	Nrd1-Nab3 chimera	[13C - methyl (IVL)]	1000 uM

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr34668_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: bmr34668_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_1	Warning	1603		100.0 (chain: 1, length: 125)
1	Chemical shift references	chem_shift_reference_1	OK	3		No information

Assigned chemical shifts

Saveframe: assigned_chemical_shifts_1

Status: Warning

Sequence coverage of experimental data

Entity_assembly_ID: 1, Chain length: 125, Sequence coverage: 100.0%

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

-------110-------120-----
KMSAILAMLNSNSDTALSVPPHDST
|||||||||||||||||||||||||
KMSAILAMLNSNSDTALSVPPHDST

Total number of assignments
- ¹H chemical shifts: 916
- ¹³C chemical shifts: 547
- ¹⁵N chemical shifts: 140

Completeness of assignments

Entity_assemble_ID: 1

Excluded Atom_ID in statistics

Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
8	GLN	CD	179.103
16	ARG	HH11	6.19
23	ASN	CG	177.447
31	ASN	CG	177.785
33	ASN	CG	177.97
42	SER	HG	5.912
48	GLN	CD	180.306
49	GLN	CD	179.855
54	GLN	CD	179.963
60	GLN	CD	178.022
66	ASN	CG	177.457
69	ASN	CG	177.1
71	ASN	CG	177.058
76	GLN	CD	180.006
78	GLN	CD	176.363
81	TYR	HH	9.002
85	SER	HG	5.973
86	ASN	CG	177.854
89	ASN	CG	176.875
92	GLN	CD	180.542
94	GLN	CD	179.067
98	GLN	CD	179.762
110	ASN	CG	175.124
111	SER	HG	6.094
115	THR	HG1	5.117

All atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	779	756	97.0
¹³C chemical shifts	565	528	93.5
¹⁵N chemical shifts	141	140	99.3

Backbone atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	241	240	99.6
¹³C chemical shifts	250	240	96.0
¹⁵N chemical shifts	116	116	100.0

Side chain atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	538	516	95.9
¹³C chemical shifts	315	288	91.4
¹⁵N chemical shifts	25	24	96.0

Methyl group atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	77	77	100.0
¹³C chemical shifts	77	77	100.0

Aromatic group atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	29	26	89.7
¹³C chemical shifts	29	6	20.7

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: 1

Keywords NNS pathway, Nab3, Nrd1, TRANSCRIPTION, Transcription termination, chimera, heterodimerization, yeast

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Found 1 Document (0.394 seconds)

BMRB: 34668

Sample #1

Sample #2

Sample #3

Sample #4

Sample #5

Related entities 1. unit 1, : 3 entities Detail

Experiments performed 12 experiments Detail

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Chemical shift validation 3 contents Detail