BMRBj - BMREntryMaster

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BMRB: 30911

7N00

AUGalpha - FAM150B - ALKL2 77-152

Authors

Rossi, P., Sowaileh, M., Reshetnyak, A.V., Kalodimos, C.G.

Assembly

ALK and LTK ligand 2

Entity

1. ALK and LTK ligand 2 (polymer, Thiol state: all disulfide bound), 76 monomers, 8988.455 Da Detail

GPSPEQRVEI VPRDLRMKDK FLKHLTGPLY FSPKCSKHFH RLYHNTRDCT IPAYYKRCAR LLTRLAVSPV CMEDKQ

Formula weight

8988.455 Da

Entity Connection

disulfide 2 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS35:SG	1:CYS71:SG
2	disulfide	sing	1:CYS49:SG	1:CYS58:SG

Source organism

Homo sapiens

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 94.7 %, Completeness: 83.2 %, Completeness (bb): 78.3 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	83.2 % (785 of 944)	88.9 % (442 of 497)	75.7 % (278 of 367)	81.3 % (65 of 80)
Backbone	78.3 % (346 of 442)	93.2 % (137 of 147)	63.7 % (144 of 226)	94.2 % (65 of 69)
Sidechain	88.0 % (507 of 576)	87.1 % (305 of 350)	94.0 % (202 of 215)	0.0 % (0 of 11)
Aromatic	97.4 % (76 of 78)	97.4 % (38 of 39)	97.4 % (38 of 39)
Methyl	100.0 % (70 of 70)	100.0 % (35 of 35)	100.0 % (35 of 35)

1. entity 1

GPSPEQRVEI VPRDLRMKDK FLKHLTGPLY FSPKCSKHFH RLYHNTRDCT IPAYYKRCAR LLTRLAVSPV CMEDKQ

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0, Details 300 uM [U-100% 13C; U-100% 15N] AUGalpha-FAM150B- residues 77-152, 150 mM sodium chloride, 20 mM sodium phosphate, 0.1 % sodium azide, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	AUGalpha-FAM150B- residues 77-152	[U-100% 13C; U-100% 15N]	300 uM
2	sodium chloride	natural abundance	150 mM
3	sodium phosphate	natural abundance	20 mM
4	sodium azide	natural abundance	0.1 %

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0, Details 300 uM U-15N, U-1H,13C_CH3_AILMTV AUGalpha-FAM150B- residues 77-152, 150 mM sodium chloride, 20 mM sodium phosphate, 0.1 % sodium azide, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
5	AUGalpha-FAM150B- residues 77-152	[U-15N; U-1H,13C_CH3_AILMTV]	300 uM
6	sodium chloride	natural abundance	150 mM
7	sodium phosphate	natural abundance	20 mM
8	sodium azide	natural abundance	0.1 %

Release date

2021-06-17

Citation

Mechanism for the activation of the anaplastic lymphoma kinase receptor
Reshetnyak, A.V., Rossi, P., Myasnikov, A.G., Sowaileh, M., Mohanty, J., Nourse, A., Miller, D.J., Lax, I., Schlessinger, J., Kalodimos, C.G.
Nature (2021), 600, 153-157, PubMed 34819673 , DOI 10.1038/s41586-021-04140-8 , Abstract

Related entities 1. ALK and LTK ligand 2, : 1 : 3 : 2 : 16 entities Detail

Interaction partners 1. ALK and LTK ligand 2, : 1 interactors Detail

More details for 1 interactors identified by 1 citations

Experiments performed 17 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker AVANCE NEO - 850 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0, Details 300 uM [U-100% 13C; U-100% 15N] AUGalpha-FAM150B- residues 77-152, 150 mM sodium chloride, 20 mM sodium phosphate, 0.1 % sodium azide, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	AUGalpha-FAM150B- residues 77-152	[U-100% 13C; U-100% 15N]	300 uM
2	sodium chloride	natural abundance	150 mM
3	sodium phosphate	natural abundance	20 mM
4	sodium azide	natural abundance	0.1 %

2 2D 1H-13C HSQC aliphatic

Instrument

Bruker AVANCE NEO - 850 MHz

Sample

#	Name	Isotope labeling	Concentration
1	AUGalpha-FAM150B- residues 77-152	[U-100% 13C; U-100% 15N]	300 uM
2	sodium chloride	natural abundance	150 mM
3	sodium phosphate	natural abundance	20 mM
4	sodium azide	natural abundance	0.1 %

3 2D 1H-13C HSQC aromatic

Instrument

Bruker AVANCE NEO - 850 MHz

Sample

#	Name	Isotope labeling	Concentration
1	AUGalpha-FAM150B- residues 77-152	[U-100% 13C; U-100% 15N]	300 uM
2	sodium chloride	natural abundance	150 mM
3	sodium phosphate	natural abundance	20 mM
4	sodium azide	natural abundance	0.1 %

4 3D 1H-13C NOESY

Instrument

Bruker AVANCE NEO - 850 MHz

Sample

#	Name	Isotope labeling	Concentration
1	AUGalpha-FAM150B- residues 77-152	[U-100% 13C; U-100% 15N]	300 uM
2	sodium chloride	natural abundance	150 mM
3	sodium phosphate	natural abundance	20 mM
4	sodium azide	natural abundance	0.1 %

5 3D 1H-15N NOESY

Instrument

Bruker AVANCE NEO - 850 MHz

Sample

#	Name	Isotope labeling	Concentration
1	AUGalpha-FAM150B- residues 77-152	[U-100% 13C; U-100% 15N]	300 uM
2	sodium chloride	natural abundance	150 mM
3	sodium phosphate	natural abundance	20 mM
4	sodium azide	natural abundance	0.1 %

6 3D CCH_TOCSY

Instrument

Bruker AVANCE NEO - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
1	AUGalpha-FAM150B- residues 77-152	[U-100% 13C; U-100% 15N]	300 uM
2	sodium chloride	natural abundance	150 mM
3	sodium phosphate	natural abundance	20 mM
4	sodium azide	natural abundance	0.1 %

7 3D HNCACO

Instrument

Bruker AVANCE NEO - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
1	AUGalpha-FAM150B- residues 77-152	[U-100% 13C; U-100% 15N]	300 uM
2	sodium chloride	natural abundance	150 mM
3	sodium phosphate	natural abundance	20 mM
4	sodium azide	natural abundance	0.1 %

8 3D HCCH-TOCSY

Instrument

Bruker AVANCE NEO - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
1	AUGalpha-FAM150B- residues 77-152	[U-100% 13C; U-100% 15N]	300 uM
2	sodium chloride	natural abundance	150 mM
3	sodium phosphate	natural abundance	20 mM
4	sodium azide	natural abundance	0.1 %

9 3D HCCH-COSY

Instrument

Bruker AVANCE NEO - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
1	AUGalpha-FAM150B- residues 77-152	[U-100% 13C; U-100% 15N]	300 uM
2	sodium chloride	natural abundance	150 mM
3	sodium phosphate	natural abundance	20 mM
4	sodium azide	natural abundance	0.1 %

10 3D HBHA(CO)NH

Instrument

Bruker AVANCE NEO - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
1	AUGalpha-FAM150B- residues 77-152	[U-100% 13C; U-100% 15N]	300 uM
2	sodium chloride	natural abundance	150 mM
3	sodium phosphate	natural abundance	20 mM
4	sodium azide	natural abundance	0.1 %

11 3D CBCA(CO)NH

Instrument

Bruker AVANCE NEO - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
1	AUGalpha-FAM150B- residues 77-152	[U-100% 13C; U-100% 15N]	300 uM
2	sodium chloride	natural abundance	150 mM
3	sodium phosphate	natural abundance	20 mM
4	sodium azide	natural abundance	0.1 %

12 3D HNCO

Instrument

Bruker AVANCE NEO - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
1	AUGalpha-FAM150B- residues 77-152	[U-100% 13C; U-100% 15N]	300 uM
2	sodium chloride	natural abundance	150 mM
3	sodium phosphate	natural abundance	20 mM
4	sodium azide	natural abundance	0.1 %

13 3D HNCACB

Instrument

Bruker AVANCE NEO - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
1	AUGalpha-FAM150B- residues 77-152	[U-100% 13C; U-100% 15N]	300 uM
2	sodium chloride	natural abundance	150 mM
3	sodium phosphate	natural abundance	20 mM
4	sodium azide	natural abundance	0.1 %

14 3D HNCA

Instrument

Bruker AVANCE NEO - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
1	AUGalpha-FAM150B- residues 77-152	[U-100% 13C; U-100% 15N]	300 uM
2	sodium chloride	natural abundance	150 mM
3	sodium phosphate	natural abundance	20 mM
4	sodium azide	natural abundance	0.1 %

15 3D sofast_HallNH_NOESY

Instrument

Bruker AVANCE NEO - 700 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0, Details 300 uM U-15N, U-1H,13C_CH3_AILMTV AUGalpha-FAM150B- residues 77-152, 150 mM sodium chloride, 20 mM sodium phosphate, 0.1 % sodium azide, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
5	AUGalpha-FAM150B- residues 77-152	[U-15N; U-1H,13C_CH3_AILMTV]	300 uM
6	sodium chloride	natural abundance	150 mM
7	sodium phosphate	natural abundance	20 mM
8	sodium azide	natural abundance	0.1 %

16 3D sofast_HallCmHm_NOESY

Instrument

Bruker AVANCE NEO - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
5	AUGalpha-FAM150B- residues 77-152	[U-15N; U-1H,13C_CH3_AILMTV]	300 uM
6	sodium chloride	natural abundance	150 mM
7	sodium phosphate	natural abundance	20 mM
8	sodium azide	natural abundance	0.1 %

17 3D sofast_CCH_NOESY

Instrument

Bruker AVANCE NEO - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
5	AUGalpha-FAM150B- residues 77-152	[U-15N; U-1H,13C_CH3_AILMTV]	300 uM
6	sodium chloride	natural abundance	150 mM
7	sodium phosphate	natural abundance	20 mM
8	sodium azide	natural abundance	0.1 %

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr30911_3.str
Diamagnetism of the molecular assembly	True (excluding Oxygen atoms)
Whether the assembly has a disulfide bond	True (see coordinates for details)
Whether the assembly has a other bond	None
Whether the assembly contains a cyclic polymer	None
Overall data processing status	Warning

Disulfide bonds

Ptnr_site_1	Ptnr_site_2	Redox_state_prediction_1	Redox_state_prediction_2	Distance (Å)
1:35:CYS:SG	1:71:CYS:SG	unknown, CA 58.0 ppm	oxidized, CA 55.25, CB 41.868 ppm	n/a
1:49:CYS:SG	1:58:CYS:SG	unknown, CA 54.413 ppm	oxidized, CA 59.63, CB 41.673 ppm	n/a

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

None

Non-standard residues

None

Content subtype: bmr30911_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_1	Warning	849		93.4 (chain: 1, length: 76)
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: 76, Sequence coverage: 93.4%
- Total number of assignments
  - ¹H chemical shifts: 513
  - ¹³C chemical shifts: 271
  - ¹⁵N chemical shifts: 65
- Completeness of assignments
  - Entity_assemble_ID: 1
- 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: 1

Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
38	HIS	HD1	7.044
38	HIS	ND1	171.369

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	497	438	88.1
¹³C chemical shifts	367	271	73.8
¹⁵N chemical shifts	80	64	80.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	147	135	91.8
¹³C chemical shifts	152	70	46.1
¹⁵N chemical shifts	69	64	92.8

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	350	303	86.6
¹³C chemical shifts	215	201	93.5
¹⁵N chemical shifts	11	0	0.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	37	37	100.0
¹³C chemical shifts	37	37	100.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	39	38	97.4
¹³C chemical shifts	39	38	97.4

Keywords ALKL2 77-152, Anaplastic lymphoma kinase activating ligand, CYTOKINE, FAM150B

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Found 1 Document (0.53 seconds)

BMRB: 30911

Sample #1

Sample #2

Related entities 1. ALK and LTK ligand 2, : 1 : 3 : 2 : 16 entities Detail

Interaction partners 1. ALK and LTK ligand 2, : 1 interactors Detail

Experiments performed 17 experiments Detail

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Chemical shift validation 3 contents Detail