BMRBj - BMREntryMaster

Found 1 Document (0.676 seconds)

BMRB: 30796

7K3S

Solution NMR Structure of the Coiled-coil BRCA1-PALB2 Heterodimer

Authors

Daigham, N.S., Liu, G., Bunting, S.F., Montelione, G.T.

Assembly

Breast cancer type 1 susceptibility protein homolog (E.C.2.3.2.27), Partner and localizer of BRCA2

Entity

1. Breast cancer type 1 susceptibility protein homolog (E.C.2.3.2.27), Partner and localizer of BRCA2, entity 1 (polymer), 60 monomers, 6923.591 Da Detail

MNLSEDCSQS DILTTQQRAT MKYNLIKLQQ EMAHLEAVLE QRGNQPSGHS PSLEHHHHHH

2. Breast cancer type 1 susceptibility protein homolog (E.C.2.3.2.27), Partner and localizer of BRCA2, entity 2 (polymer, Thiol state: not present), 68 monomers, 7925.989 Da Detail

MEELSGKPLS YAEKEKLKEK LAFLKKEYSR TLARLQRAKR AEKAKNSKKA IEDGVPQPEA LEHHHHHH

Total weight

14849.58 Da

Max. entity weight

7925.989 Da

Source organism

Mus musculus

Exptl. method

solution NMR

Data set

assigned_chemical_shifts, spectral_peak_list

Chem. Shift Complete

Sequence coverage: 91.4 %, Completeness: 76.2 %, Completeness (bb): 75.1 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	76.2 % (1172 of 1538)	81.7 % (664 of 813)	67.9 % (396 of 583)	78.9 % (112 of 142)
Backbone	75.1 % (569 of 758)	87.1 % (222 of 255)	62.6 % (238 of 380)	88.6 % (109 of 123)
Sidechain	77.8 % (703 of 904)	79.2 % (442 of 558)	78.9 % (258 of 327)	15.8 % (3 of 19)
Aromatic	15.6 % (14 of 90)	15.6 % (7 of 45)	15.6 % (7 of 45)
Methyl	92.7 % (102 of 110)	92.7 % (51 of 55)	92.7 % (51 of 55)

1. entity 1

MNLSEDCSQS DILTTQQRAT MKYNLIKLQQ EMAHLEAVLE QRGNQPSGHS PSLEHHHHHH

2. entity 2

MEELSGKPLS YAEKEKLKEK LAFLKKEYSR TLARLQRAKR AEKAKNSKKA IEDGVPQPEA LEHHHHHH

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 6.5, Details 1.5 mM [U-100% 13C; U-100% 15N] PALB2cc, 3 mM BRCA1cc, 20 mM MES, 200 mM sodium chloride, 10 mM DTT, 5 mM CaCl2, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	PALB2cc	[U-100% 13C; U-100% 15N]	1.5 mM
2	BRCA1cc	natural abundance	3 mM
3	MES	natural abundance	20 mM
4	sodium chloride	natural abundance	200 mM
5	DTT	natural abundance	10 mM
6	CaCl2	natural abundance	5 mM

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 6.5, Details 1.5 mM [U-100% 13C; U-100% 15N] BRCA1cc, 3 mM PALB2cc, 20 mM MES, 200 mM sodium chloride, 10 mM DTT, 5 mM CaCl2, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
7	PALB2cc	natural abundance	3 mM
8	BRCA1cc	[U-100% 13C; U-100% 15N]	1.5 mM
9	MES	natural abundance	20 mM
10	sodium chloride	natural abundance	200 mM
11	DTT	natural abundance	10 mM
12	CaCl2	natural abundance	5 mM

Release date

2020-10-01

Citation 1

Antiparallel Coiled-Coil Interactions Mediate Homodimerization of the DNA Damage Repair Protein, PALB2
Song, F., Li, M., Liu, G., Swapna, G.V.T., Daigham, N.S., Xia, B., Montelione, G.T., Bunting, S.F.
Biochemistry (2018), 57, 6581-6591, PubMed 30289697 , DOI 10.1021/acs.biochem.8b00789 , Abstract

Show more 1 citaion

Citation 2

The Structural Basis for Interactions Between PALB2 and BRCA1 that Mediate the Homologous Recombination DNA Damage Repair Process
Daigham, N.S., Liu, G., Bunting, S.F., Montelione, G.T.

Hide non-primary 1 citaion

Related entities 1. Breast cancer type 1 susceptibility protein homolog (E.C.2.3.2.27), Partner and localizer of BRCA2, entity 1, : 1 : 2 : 11 entities Detail

Related entities 2. Breast cancer type 1 susceptibility protein homolog (E.C.2.3.2.27), Partner and localizer of BRCA2, entity 2, : 2 : 3 entities Detail

Interaction partners 1. Breast cancer type 1 susceptibility protein homolog (E.C.2.3.2.27), Partner and localizer of BRCA2, entity 1, : 3 interactors Detail

More details for 3 interactors identified by 3 citations

Experiments performed 23 experiments Detail

1 2D 1H-15N HSQC NH2 only

Instrument

Bruker AVANCE - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 6.5, Details 1.5 mM [U-100% 13C; U-100% 15N] PALB2cc, 3 mM BRCA1cc, 20 mM MES, 200 mM sodium chloride, 10 mM DTT, 5 mM CaCl2, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	PALB2cc	[U-100% 13C; U-100% 15N]	1.5 mM
2	BRCA1cc	natural abundance	3 mM
3	MES	natural abundance	20 mM
4	sodium chloride	natural abundance	200 mM
5	DTT	natural abundance	10 mM
6	CaCl2	natural abundance	5 mM

2 2D 1H-13C HSQC aliphatic

Instrument

Bruker AVANCE - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
1	PALB2cc	[U-100% 13C; U-100% 15N]	1.5 mM
2	BRCA1cc	natural abundance	3 mM
3	MES	natural abundance	20 mM
4	sodium chloride	natural abundance	200 mM
5	DTT	natural abundance	10 mM
6	CaCl2	natural abundance	5 mM

3 3D HNCA

Instrument

Bruker AVANCE - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
1	PALB2cc	[U-100% 13C; U-100% 15N]	1.5 mM
2	BRCA1cc	natural abundance	3 mM
3	MES	natural abundance	20 mM
4	sodium chloride	natural abundance	200 mM
5	DTT	natural abundance	10 mM
6	CaCl2	natural abundance	5 mM

4 3D HN(CO)CA

Instrument

Bruker AVANCE - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
1	PALB2cc	[U-100% 13C; U-100% 15N]	1.5 mM
2	BRCA1cc	natural abundance	3 mM
3	MES	natural abundance	20 mM
4	sodium chloride	natural abundance	200 mM
5	DTT	natural abundance	10 mM
6	CaCl2	natural abundance	5 mM

5 3D HCCH-TOCSY

Instrument

Bruker AVANCE - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
1	PALB2cc	[U-100% 13C; U-100% 15N]	1.5 mM
2	BRCA1cc	natural abundance	3 mM
3	MES	natural abundance	20 mM
4	sodium chloride	natural abundance	200 mM
5	DTT	natural abundance	10 mM
6	CaCl2	natural abundance	5 mM

6 3D HNCACB

Instrument

Bruker AVANCE - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
1	PALB2cc	[U-100% 13C; U-100% 15N]	1.5 mM
2	BRCA1cc	natural abundance	3 mM
3	MES	natural abundance	20 mM
4	sodium chloride	natural abundance	200 mM
5	DTT	natural abundance	10 mM
6	CaCl2	natural abundance	5 mM

7 3D CBCA(CO)NH

Instrument

Bruker AVANCE - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
1	PALB2cc	[U-100% 13C; U-100% 15N]	1.5 mM
2	BRCA1cc	natural abundance	3 mM
3	MES	natural abundance	20 mM
4	sodium chloride	natural abundance	200 mM
5	DTT	natural abundance	10 mM
6	CaCl2	natural abundance	5 mM

8 3D HNCO

Instrument

Bruker AVANCE - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
1	PALB2cc	[U-100% 13C; U-100% 15N]	1.5 mM
2	BRCA1cc	natural abundance	3 mM
3	MES	natural abundance	20 mM
4	sodium chloride	natural abundance	200 mM
5	DTT	natural abundance	10 mM
6	CaCl2	natural abundance	5 mM

9 3D 1H-15N TOCSY

Instrument

Bruker AVANCE - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
1	PALB2cc	[U-100% 13C; U-100% 15N]	1.5 mM
2	BRCA1cc	natural abundance	3 mM
3	MES	natural abundance	20 mM
4	sodium chloride	natural abundance	200 mM
5	DTT	natural abundance	10 mM
6	CaCl2	natural abundance	5 mM

10 3D 1H-13C NOESY

Instrument

Bruker AVANCE - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
1	PALB2cc	[U-100% 13C; U-100% 15N]	1.5 mM
2	BRCA1cc	natural abundance	3 mM
3	MES	natural abundance	20 mM
4	sodium chloride	natural abundance	200 mM
5	DTT	natural abundance	10 mM
6	CaCl2	natural abundance	5 mM

11 3D 1H-15N NOESY

Instrument

Bruker AVANCE - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
1	PALB2cc	[U-100% 13C; U-100% 15N]	1.5 mM
2	BRCA1cc	natural abundance	3 mM
3	MES	natural abundance	20 mM
4	sodium chloride	natural abundance	200 mM
5	DTT	natural abundance	10 mM
6	CaCl2	natural abundance	5 mM

12 2D 1H-15N HSQC NH2 only

Instrument

Bruker AVANCE - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 6.5, Details 1.5 mM [U-100% 13C; U-100% 15N] BRCA1cc, 3 mM PALB2cc, 20 mM MES, 200 mM sodium chloride, 10 mM DTT, 5 mM CaCl2, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
7	PALB2cc	natural abundance	3 mM
8	BRCA1cc	[U-100% 13C; U-100% 15N]	1.5 mM
9	MES	natural abundance	20 mM
10	sodium chloride	natural abundance	200 mM
11	DTT	natural abundance	10 mM
12	CaCl2	natural abundance	5 mM

13 3D HNCA

Instrument

Bruker AVANCE - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
7	PALB2cc	natural abundance	3 mM
8	BRCA1cc	[U-100% 13C; U-100% 15N]	1.5 mM
9	MES	natural abundance	20 mM
10	sodium chloride	natural abundance	200 mM
11	DTT	natural abundance	10 mM
12	CaCl2	natural abundance	5 mM

14 2D 1H-13C HSQC aliphatic

Instrument

Bruker AVANCE - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
7	PALB2cc	natural abundance	3 mM
8	BRCA1cc	[U-100% 13C; U-100% 15N]	1.5 mM
9	MES	natural abundance	20 mM
10	sodium chloride	natural abundance	200 mM
11	DTT	natural abundance	10 mM
12	CaCl2	natural abundance	5 mM

15 3D HN(CO)CA

Instrument

Bruker AVANCE - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
7	PALB2cc	natural abundance	3 mM
8	BRCA1cc	[U-100% 13C; U-100% 15N]	1.5 mM
9	MES	natural abundance	20 mM
10	sodium chloride	natural abundance	200 mM
11	DTT	natural abundance	10 mM
12	CaCl2	natural abundance	5 mM

16 3D HCCH-TOCSY

Instrument

Bruker AVANCE - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
7	PALB2cc	natural abundance	3 mM
8	BRCA1cc	[U-100% 13C; U-100% 15N]	1.5 mM
9	MES	natural abundance	20 mM
10	sodium chloride	natural abundance	200 mM
11	DTT	natural abundance	10 mM
12	CaCl2	natural abundance	5 mM

17 3D HNCACB

Instrument

Bruker AVANCE - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
7	PALB2cc	natural abundance	3 mM
8	BRCA1cc	[U-100% 13C; U-100% 15N]	1.5 mM
9	MES	natural abundance	20 mM
10	sodium chloride	natural abundance	200 mM
11	DTT	natural abundance	10 mM
12	CaCl2	natural abundance	5 mM

18 3D CBCA(CO)NH

Instrument

Bruker AVANCE - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
7	PALB2cc	natural abundance	3 mM
8	BRCA1cc	[U-100% 13C; U-100% 15N]	1.5 mM
9	MES	natural abundance	20 mM
10	sodium chloride	natural abundance	200 mM
11	DTT	natural abundance	10 mM
12	CaCl2	natural abundance	5 mM

19 3D HNCO

Instrument

Bruker AVANCE - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
7	PALB2cc	natural abundance	3 mM
8	BRCA1cc	[U-100% 13C; U-100% 15N]	1.5 mM
9	MES	natural abundance	20 mM
10	sodium chloride	natural abundance	200 mM
11	DTT	natural abundance	10 mM
12	CaCl2	natural abundance	5 mM

20 3D HBHA(CO)NH

Instrument

Bruker AVANCE - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
7	PALB2cc	natural abundance	3 mM
8	BRCA1cc	[U-100% 13C; U-100% 15N]	1.5 mM
9	MES	natural abundance	20 mM
10	sodium chloride	natural abundance	200 mM
11	DTT	natural abundance	10 mM
12	CaCl2	natural abundance	5 mM

21 3D 1H-15N NOESY

Instrument

Bruker AVANCE - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
7	PALB2cc	natural abundance	3 mM
8	BRCA1cc	[U-100% 13C; U-100% 15N]	1.5 mM
9	MES	natural abundance	20 mM
10	sodium chloride	natural abundance	200 mM
11	DTT	natural abundance	10 mM
12	CaCl2	natural abundance	5 mM

22 3D 1H-13C NOESY

Instrument

Bruker AVANCE - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
7	PALB2cc	natural abundance	3 mM
8	BRCA1cc	[U-100% 13C; U-100% 15N]	1.5 mM
9	MES	natural abundance	20 mM
10	sodium chloride	natural abundance	200 mM
11	DTT	natural abundance	10 mM
12	CaCl2	natural abundance	5 mM

23 3D HBHA(CO)NH

Instrument

Bruker AVANCE - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
1	PALB2cc	[U-100% 13C; U-100% 15N]	1.5 mM
2	BRCA1cc	natural abundance	3 mM
3	MES	natural abundance	20 mM
4	sodium chloride	natural abundance	200 mM
5	DTT	natural abundance	10 mM
6	CaCl2	natural abundance	5 mM

Chemical shift validation 4 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr30796_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	OK

Disulfide bonds

None

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

None

Non-standard residues

None

Content subtype: bmr30796_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_1	OK	1254		88.2 (chain: 2, length: 68), 93.3 (chain: 1, length: 60)
1	Chemical shift references	chem_shift_reference_1	OK	3		No information

Assigned chemical shifts

Saveframe: assigned_chemical_shifts_1
- Status: OK
- Sequence coverage of experimental data
  - Entity_assembly_ID: 2, Chain length: 68, Sequence coverage: 88.2%
  - Entity_assembly_ID: 1, Chain length: 60, Sequence coverage: 93.3%
- Total number of assignments
  - ¹H chemical shifts: 776
  - ¹³C chemical shifts: 367
  - ¹⁵N chemical shifts: 111
- Completeness of assignments
  - Entity_assemble_ID: 2
  - Entity_assemble_ID: 1
- 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: 2
  - Chain_ID: 1

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	449	389	86.6
¹³C chemical shifts	321	213	66.4
¹⁵N chemical shifts	72	59	81.9

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	135	118	87.4
¹³C chemical shifts	136	60	44.1
¹⁵N chemical shifts	65	56	86.2

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	314	271	86.3
¹³C chemical shifts	185	153	82.7
¹⁵N chemical shifts	7	3	42.9

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	30	28	93.3
¹³C chemical shifts	30	28	93.3

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	25	7	28.0
¹³C chemical shifts	25	7	28.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	364	273	75.0
¹³C chemical shifts	262	154	58.8
¹⁵N chemical shifts	70	52	74.3

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	120	102	85.0
¹³C chemical shifts	120	48	40.0
¹⁵N chemical shifts	58	52	89.7

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	244	171	70.1
¹³C chemical shifts	142	106	74.6
¹⁵N chemical shifts	12	0	0.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	29	29	100.0
¹³C chemical shifts	29	29	100.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	20	0	0.0
¹³C chemical shifts	20	0	0.0

Keywords DNA, Homologous Recombination, ONCOPROTEIN

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Found 1 Document (0.676 seconds)

BMRB: 30796

Sample #1

Sample #2

Related entities 1. Breast cancer type 1 susceptibility protein homolog (E.C.2.3.2.27), Partner and localizer of BRCA2, entity 1, : 1 : 2 : 11 entities Detail

Related entities 2. Breast cancer type 1 susceptibility protein homolog (E.C.2.3.2.27), Partner and localizer of BRCA2, entity 2, : 2 : 3 entities Detail

Interaction partners 1. Breast cancer type 1 susceptibility protein homolog (E.C.2.3.2.27), Partner and localizer of BRCA2, entity 1, : 3 interactors Detail

Experiments performed 23 experiments Detail

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Chemical shift validation 4 contents Detail