BMRBj - BMREntryMaster

Found 1 Document (0.563 seconds)

BMRB: 30912

7MK7

AUGbeta - FAM150A - ALKL1 60-128

Authors

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

Assembly

ALK and LTK ligand 1

Entity

1. ALK and LTK ligand 1 (polymer, Thiol state: all disulfide bound), 70 monomers, 8172.280 Da Detail

SRSAEIFPRD SNLKDKFIKH FTGPVTFSPE CSKHFHRLYY NTRECSTPAY YKRCARLLTR LAVSPLCSQT

Formula weight

8172.28 Da

Entity Connection

disulfide 2 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS31:SG	1:CYS67:SG
2	disulfide	sing	1:CYS45:SG	1:CYS54:SG

Source organism

Homo sapiens

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 88.9 %, Completeness (bb): 92.4 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	88.9 % (756 of 850)	87.3 % (386 of 442)	93.1 % (310 of 333)	80.0 % (60 of 75)
Backbone	92.4 % (379 of 410)	90.4 % (123 of 136)	93.8 % (196 of 209)	92.3 % (60 of 65)
Sidechain	87.2 % (444 of 509)	85.9 % (263 of 306)	93.8 % (181 of 193)	0.0 % (0 of 10)
Aromatic	93.6 % (88 of 94)	93.6 % (44 of 47)	93.6 % (44 of 47)
Methyl	98.3 % (59 of 60)	96.7 % (29 of 30)	100.0 % (30 of 30)

1. entity 1

SRSAEIFPRD SNLKDKFIKH FTGPVTFSPE CSKHFHRLYY NTRECSTPAY YKRCARLLTR LAVSPLCSQT

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7, Details 300 uM [U-10% 13C; U-100% 15N] AUGbeta-FAM150A-ALKL1 residues 60-129, 0.1 % sodium azide, 20 mM sodium phosphate, 150 mM sodium chloride, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	AUGbeta-FAM150A-ALKL1 residues 60-129	[U-10% 13C; U-100% 15N]	300 uM
2	sodium azide	natural abundance	0.1 %
3	sodium phosphate	natural abundance	20 mM
4	sodium chloride	natural abundance	150 mM

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7, Details 300 uM [U-10% 13C; U-100% 15N AILTV methyl sample] AUGbeta-FAM150A-ALKL1 residues 60-129, 0.1 % sodium azide, 20 mM sodium phosphate, 150 mM sodium chloride, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
5	AUGbeta-FAM150A-ALKL1 residues 60-129	[U-10% 13C; U-100% 15N AILTV methyl sample]	300 uM
6	sodium azide	natural abundance	0.1 %
7	sodium phosphate	natural abundance	20 mM
8	sodium chloride	natural abundance	150 mM

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

Entries sharing articles BMRB: 2, EMDB: 1 entries Detail

  BMRB: 30911 released on 2021-06-17
    Title AUGalpha - FAM150B - ALKL2 77-152
  BMRB: 30910 released on 2021-06-02
    Title Anaplastic lymphoma kinase (ALK) extracellular ligand binding region 673-1025
  EMDB: 24095 released on 2021-11-24
    Title Anaplastic lymphoma kinase (ALK) extracellular fragment of ligand binding region 648-1025 in complex with AUG-alpha

Related entities 1. ALK and LTK ligand 1, : 1 : 4 : 25 entities Detail

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

More details for 2 interactors identified by 1 citations

Experiments performed 16 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, Details 300 uM [U-10% 13C; U-100% 15N] AUGbeta-FAM150A-ALKL1 residues 60-129, 0.1 % sodium azide, 20 mM sodium phosphate, 150 mM sodium chloride, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	AUGbeta-FAM150A-ALKL1 residues 60-129	[U-10% 13C; U-100% 15N]	300 uM
2	sodium azide	natural abundance	0.1 %
3	sodium phosphate	natural abundance	20 mM
4	sodium chloride	natural abundance	150 mM

2 2D 1H-13C HSQC

Instrument

Bruker AVANCE NEO - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
1	AUGbeta-FAM150A-ALKL1 residues 60-129	[U-10% 13C; U-100% 15N]	300 uM
2	sodium azide	natural abundance	0.1 %
3	sodium phosphate	natural abundance	20 mM
4	sodium chloride	natural abundance	150 mM

3 2D 1H-13C HSQC aromatic

Instrument

Bruker AVANCE NEO - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
1	AUGbeta-FAM150A-ALKL1 residues 60-129	[U-10% 13C; U-100% 15N]	300 uM
2	sodium azide	natural abundance	0.1 %
3	sodium phosphate	natural abundance	20 mM
4	sodium chloride	natural abundance	150 mM

4 2D 2D 1H-13C HMQC

Instrument

Bruker AVANCE NEO - 850 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7, Details 300 uM [U-10% 13C; U-100% 15N AILTV methyl sample] AUGbeta-FAM150A-ALKL1 residues 60-129, 0.1 % sodium azide, 20 mM sodium phosphate, 150 mM sodium chloride, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
5	AUGbeta-FAM150A-ALKL1 residues 60-129	[U-10% 13C; U-100% 15N AILTV methyl sample]	300 uM
6	sodium azide	natural abundance	0.1 %
7	sodium phosphate	natural abundance	20 mM
8	sodium chloride	natural abundance	150 mM

5 3D 1H-13C NOESY

Instrument

Bruker AVANCE NEO - 850 MHz

Sample

#	Name	Isotope labeling	Concentration
1	AUGbeta-FAM150A-ALKL1 residues 60-129	[U-10% 13C; U-100% 15N]	300 uM
2	sodium azide	natural abundance	0.1 %
3	sodium phosphate	natural abundance	20 mM
4	sodium chloride	natural abundance	150 mM

7 3D sfHallCmHm_NOESY

Instrument

Bruker AVANCE NEO - 850 MHz

Sample

#	Name	Isotope labeling	Concentration
5	AUGbeta-FAM150A-ALKL1 residues 60-129	[U-10% 13C; U-100% 15N AILTV methyl sample]	300 uM
6	sodium azide	natural abundance	0.1 %
7	sodium phosphate	natural abundance	20 mM
8	sodium chloride	natural abundance	150 mM

8 3D sfCCH_NOESY

Instrument

Bruker AVANCE NEO - 850 MHz

Sample

#	Name	Isotope labeling	Concentration
5	AUGbeta-FAM150A-ALKL1 residues 60-129	[U-10% 13C; U-100% 15N AILTV methyl sample]	300 uM
6	sodium azide	natural abundance	0.1 %
7	sodium phosphate	natural abundance	20 mM
8	sodium chloride	natural abundance	150 mM

9 3D HCCH-COSY

Instrument

Bruker AVANCE NEO - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
1	AUGbeta-FAM150A-ALKL1 residues 60-129	[U-10% 13C; U-100% 15N]	300 uM
2	sodium azide	natural abundance	0.1 %
3	sodium phosphate	natural abundance	20 mM
4	sodium chloride	natural abundance	150 mM

10 3D CCH_TOCSY

Instrument

Bruker AVANCE NEO - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
1	AUGbeta-FAM150A-ALKL1 residues 60-129	[U-10% 13C; U-100% 15N]	300 uM
2	sodium azide	natural abundance	0.1 %
3	sodium phosphate	natural abundance	20 mM
4	sodium chloride	natural abundance	150 mM

11 3D CBCA(CO)NH

Instrument

Bruker AVANCE NEO - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
1	AUGbeta-FAM150A-ALKL1 residues 60-129	[U-10% 13C; U-100% 15N]	300 uM
2	sodium azide	natural abundance	0.1 %
3	sodium phosphate	natural abundance	20 mM
4	sodium chloride	natural abundance	150 mM

12 3D HBHA(CO)NH

Instrument

Bruker AVANCE NEO - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
1	AUGbeta-FAM150A-ALKL1 residues 60-129	[U-10% 13C; U-100% 15N]	300 uM
2	sodium azide	natural abundance	0.1 %
3	sodium phosphate	natural abundance	20 mM
4	sodium chloride	natural abundance	150 mM

13 3D HNCO

Instrument

Bruker AVANCE NEO - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
1	AUGbeta-FAM150A-ALKL1 residues 60-129	[U-10% 13C; U-100% 15N]	300 uM
2	sodium azide	natural abundance	0.1 %
3	sodium phosphate	natural abundance	20 mM
4	sodium chloride	natural abundance	150 mM

14 3D HNCACB

Instrument

Bruker AVANCE NEO - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
1	AUGbeta-FAM150A-ALKL1 residues 60-129	[U-10% 13C; U-100% 15N]	300 uM
2	sodium azide	natural abundance	0.1 %
3	sodium phosphate	natural abundance	20 mM
4	sodium chloride	natural abundance	150 mM

15 3D HCACO

Instrument

Bruker AVANCE NEO - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
1	AUGbeta-FAM150A-ALKL1 residues 60-129	[U-10% 13C; U-100% 15N]	300 uM
2	sodium azide	natural abundance	0.1 %
3	sodium phosphate	natural abundance	20 mM
4	sodium chloride	natural abundance	150 mM

16 3D 1H-13C NOESY aromatic

Instrument

Bruker AVANCE NEO - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
1	AUGbeta-FAM150A-ALKL1 residues 60-129	[U-10% 13C; U-100% 15N]	300 uM
2	sodium azide	natural abundance	0.1 %
3	sodium phosphate	natural abundance	20 mM
4	sodium chloride	natural abundance	150 mM

17 3D 1H-15N NOESY

Instrument

Bruker AVANCE NEO - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
1	AUGbeta-FAM150A-ALKL1 residues 60-129	[U-10% 13C; U-100% 15N]	300 uM
2	sodium azide	natural abundance	0.1 %
3	sodium phosphate	natural abundance	20 mM
4	sodium chloride	natural abundance	150 mM

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr30912_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	OK

Disulfide bonds

Ptnr_site_1	Ptnr_site_2	Redox_state_prediction_1	Redox_state_prediction_2	Distance (Å)
1:31:CYS:SG	1:67:CYS:SG	oxidized, CA 59.751, CB 41.734 ppm	oxidized, CA 55.369, CB 45.946 ppm	n/a
1:45:CYS:SG	1:54:CYS:SG	oxidized, CA 54.372, CB 43.143 ppm	oxidized, CA 59.486, CB 41.357 ppm	n/a

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

None

Non-standard residues

None

Content subtype: bmr30912_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_1	OK	824		100.0 (chain: 1, length: 70)
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: 1, Chain length: 70, Sequence coverage: 100.0%
- Total number of assignments
  - ¹H chemical shifts: 455
  - ¹³C chemical shifts: 309
  - ¹⁵N chemical shifts: 60
- 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

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	442	395	89.4
¹³C chemical shifts	333	309	92.8
¹⁵N chemical shifts	75	60	80.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	136	127	93.4
¹³C chemical shifts	140	128	91.4
¹⁵N chemical shifts	65	60	92.3

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	306	268	87.6
¹³C chemical shifts	193	181	93.8
¹⁵N chemical shifts	10	0	0.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	30	30	100.0
¹³C chemical shifts	30	30	100.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	47	44	93.6
¹³C chemical shifts	47	44	93.6

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

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Found 1 Document (0.563 seconds)

BMRB: 30912

Sample #1

Sample #2

Entries sharing articles BMRB: 2, EMDB: 1 entries Detail

Related entities 1. ALK and LTK ligand 1, : 1 : 4 : 25 entities Detail

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

Experiments performed 16 experiments Detail

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Chemical shift validation 3 contents Detail