BMRBj - BMREntryMaster

Found 1 Document (0.659 seconds)

BMRB: 30910

7N00

Anaplastic lymphoma kinase (ALK) extracellular ligand binding region 673-1025

Authors

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

Assembly

ALK tyrosine kinase receptor (E.C.2.7.10.1)

Entity

1. ALK tyrosine kinase receptor (E.C.2.7.10.1) (polymer, Thiol state: all disulfide bound), 353 monomers, 36419.07 Da Detail

QTPIFDPTVH WLFTTCGASG PHGPTQAQCN NAYQNSNLSV EVGSEGPLKG IQIWKVPATD TYSISGYGAA GGKGGKNTMM RSHGVSVLGI FNLEKDDMLY ILVGQQGEDA CPSTNQLIQK VCIGENNVIE EEIRVNRSVH EWAGGGGGGG GATYVFKMKD GVPVPLIIAA GGGGRAYGAK TDTFHPERLE NNSSVLGLNG NSGAAGGGGG WNDNTSLLWA GKSLQEGATG GHSCPQAMKK WGWETRGGFG GGGGGCSSGG GGGGYIGGNA ASNNDPEMDG EDGVSFISPL GILYTPALKV MEGHGEVNIK HYLNCSHCEV DECHMDPESH KVICFCDHGT VLAEDGVSCI VSP

Formula weight

36419.07 Da

Entity Connection

disulfide 6 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS16:SG	1:CYS29:SG
2	disulfide	sing	1:CYS111:SG	1:CYS122:SG
3	disulfide	sing	1:CYS234:SG	1:CYS256:SG
4	disulfide	sing	1:CYS315:SG	1:CYS323:SG
5	disulfide	sing	1:CYS318:SG	1:CYS334:SG
6	disulfide	sing	1:CYS336:SG	1:CYS349:SG

Source organism

Homo sapiens

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 99.4 %, Completeness: 56.9 %, Completeness (bb): 79.6 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	56.9 % (2132 of 3745)	34.4 % (662 of 1922)	78.7 % (1134 of 1441)	88.0 % (336 of 382)
Backbone	79.6 % (1660 of 2086)	50.3 % (381 of 757)	96.2 % (954 of 992)	96.4 % (325 of 337)
Sidechain	38.3 % (744 of 1945)	24.1 % (281 of 1165)	61.5 % (452 of 735)	24.4 % (11 of 45)
Aromatic	28.9 % (82 of 284)	28.9 % (41 of 142)	25.2 % (34 of 135)	100.0 % (7 of 7)
Methyl	89.4 % (288 of 322)	89.4 % (144 of 161)	89.4 % (144 of 161)

1. entity 1

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 308 K, pH 7.0, Details 300 uM [U-100% 13C; U-100% 15N; U-100% 2H] Anaplastic lymphoma kinase ALK extracellular domain 673-1025, 20 mM sodium phosphate, 150 mM sodium chloride, 0.1 % sodium azide, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	Anaplastic lymphoma kinase ALK extracellular domain 673-1025	[U-100% 13C; U-100% 15N; U-100% 2H]	300 uM
2	sodium phosphate	natural abundance	20 mM
3	sodium chloride	natural abundance	150 mM
4	sodium azide	natural abundance	0.1 %

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 308 K, pH 7.0, Details 400 uM U-2H,15N-1H13C_AILMTV_1H,13C-FY (Ce1,2) Anaplastic lymphoma kinase ALK extracellular domain 673-1025, 20 mM sodium phosphate, 150 mM sodium chloride, 0.1 % sodium azide, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
5	Anaplastic lymphoma kinase ALK extracellular domain 673-1025	[U-2H,15N-1H13C AILMTV 1H,13C-FY (Ce1,2)]	400 uM
6	sodium phosphate	natural abundance	20 mM
7	sodium chloride	natural abundance	150 mM
8	sodium azide	natural abundance	0.1 %

Release date

2021-06-02

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: 30912 released on 2021-06-17
    Title AUGbeta - FAM150A - ALKL1 60-128
  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 tyrosine kinase receptor (E.C.2.7.10.1), : 1 : 5 : 3 : 12 entities Detail

Interaction partners 1. ALK tyrosine kinase receptor (E.C.2.7.10.1), : 8 interactors Detail

More details for 8 interactors identified by 7 citations

Experiments performed 15 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 308 K, pH 7.0, Details 300 uM [U-100% 13C; U-100% 15N; U-100% 2H] Anaplastic lymphoma kinase ALK extracellular domain 673-1025, 20 mM sodium phosphate, 150 mM sodium chloride, 0.1 % sodium azide, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	Anaplastic lymphoma kinase ALK extracellular domain 673-1025	[U-100% 13C; U-100% 15N; U-100% 2H]	300 uM
2	sodium phosphate	natural abundance	20 mM
3	sodium chloride	natural abundance	150 mM
4	sodium azide	natural abundance	0.1 %

2 2D 1H-13C HSQC aromatic

Instrument

Bruker AVANCE NEO - 700 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 308 K, pH 7.0, Details 400 uM U-2H,15N-1H13C_AILMTV_1H,13C-FY (Ce1,2) Anaplastic lymphoma kinase ALK extracellular domain 673-1025, 20 mM sodium phosphate, 150 mM sodium chloride, 0.1 % sodium azide, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
5	Anaplastic lymphoma kinase ALK extracellular domain 673-1025	[U-2H,15N-1H13C AILMTV 1H,13C-FY (Ce1,2)]	400 uM
6	sodium phosphate	natural abundance	20 mM
7	sodium chloride	natural abundance	150 mM
8	sodium azide	natural abundance	0.1 %

3 2D 1H-13C HMQC

Instrument

Bruker AVANCE NEO - na MHz

Sample

#	Name	Isotope labeling	Concentration
5	Anaplastic lymphoma kinase ALK extracellular domain 673-1025	[U-2H,15N-1H13C AILMTV 1H,13C-FY (Ce1,2)]	400 uM
6	sodium phosphate	natural abundance	20 mM
7	sodium chloride	natural abundance	150 mM
8	sodium azide	natural abundance	0.1 %

4 3D CBCA(CO)NH

Instrument

Bruker AVANCE NEO - 850 MHz

Sample

#	Name	Isotope labeling	Concentration
1	Anaplastic lymphoma kinase ALK extracellular domain 673-1025	[U-100% 13C; U-100% 15N; U-100% 2H]	300 uM
2	sodium phosphate	natural abundance	20 mM
3	sodium chloride	natural abundance	150 mM
4	sodium azide	natural abundance	0.1 %

5 3D NCmHm_NOESY

Instrument

Bruker AVANCE NEO - 850 MHz

Sample

#	Name	Isotope labeling	Concentration
5	Anaplastic lymphoma kinase ALK extracellular domain 673-1025	[U-2H,15N-1H13C AILMTV 1H,13C-FY (Ce1,2)]	400 uM
6	sodium phosphate	natural abundance	20 mM
7	sodium chloride	natural abundance	150 mM
8	sodium azide	natural abundance	0.1 %

6 3D CmNH_NOESY

Instrument

Bruker AVANCE NEO - 850 MHz

Sample

#	Name	Isotope labeling	Concentration
5	Anaplastic lymphoma kinase ALK extracellular domain 673-1025	[U-2H,15N-1H13C AILMTV 1H,13C-FY (Ce1,2)]	400 uM
6	sodium phosphate	natural abundance	20 mM
7	sodium chloride	natural abundance	150 mM
8	sodium azide	natural abundance	0.1 %

7 3D CaCmHm_NOESY

Instrument

Bruker AVANCE NEO - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
5	Anaplastic lymphoma kinase ALK extracellular domain 673-1025	[U-2H,15N-1H13C AILMTV 1H,13C-FY (Ce1,2)]	400 uM
6	sodium phosphate	natural abundance	20 mM
7	sodium chloride	natural abundance	150 mM
8	sodium azide	natural abundance	0.1 %

8 3D HaCaHa_NOESY

Instrument

Bruker AVANCE NEO - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
5	Anaplastic lymphoma kinase ALK extracellular domain 673-1025	[U-2H,15N-1H13C AILMTV 1H,13C-FY (Ce1,2)]	400 uM
6	sodium phosphate	natural abundance	20 mM
7	sodium chloride	natural abundance	150 mM
8	sodium azide	natural abundance	0.1 %

9 3D HNH_NOESY

Instrument

Bruker AVANCE NEO - 850 MHz

Sample

#	Name	Isotope labeling	Concentration
5	Anaplastic lymphoma kinase ALK extracellular domain 673-1025	[U-2H,15N-1H13C AILMTV 1H,13C-FY (Ce1,2)]	400 uM
6	sodium phosphate	natural abundance	20 mM
7	sodium chloride	natural abundance	150 mM
8	sodium azide	natural abundance	0.1 %

10 3D CmCmHm_NOESY

Instrument

Bruker AVANCE NEO - na MHz

Sample

#	Name	Isotope labeling	Concentration
5	Anaplastic lymphoma kinase ALK extracellular domain 673-1025	[U-2H,15N-1H13C AILMTV 1H,13C-FY (Ce1,2)]	400 uM
6	sodium phosphate	natural abundance	20 mM
7	sodium chloride	natural abundance	150 mM
8	sodium azide	natural abundance	0.1 %

11 3D 1H-15N NOESY

Instrument

Bruker AVANCE NEO - 850 MHz

Sample

#	Name	Isotope labeling	Concentration
1	Anaplastic lymphoma kinase ALK extracellular domain 673-1025	[U-100% 13C; U-100% 15N; U-100% 2H]	300 uM
2	sodium phosphate	natural abundance	20 mM
3	sodium chloride	natural abundance	150 mM
4	sodium azide	natural abundance	0.1 %

12 3D HCACO

Instrument

Bruker AVANCE NEO - 850 MHz

Sample

#	Name	Isotope labeling	Concentration
1	Anaplastic lymphoma kinase ALK extracellular domain 673-1025	[U-100% 13C; U-100% 15N; U-100% 2H]	300 uM
2	sodium phosphate	natural abundance	20 mM
3	sodium chloride	natural abundance	150 mM
4	sodium azide	natural abundance	0.1 %

13 3D HNCACB

Instrument

Bruker AVANCE NEO - 850 MHz

Sample

#	Name	Isotope labeling	Concentration
1	Anaplastic lymphoma kinase ALK extracellular domain 673-1025	[U-100% 13C; U-100% 15N; U-100% 2H]	300 uM
2	sodium phosphate	natural abundance	20 mM
3	sodium chloride	natural abundance	150 mM
4	sodium azide	natural abundance	0.1 %

14 3D HNCO

Instrument

Bruker AVANCE NEO - 850 MHz

Sample

#	Name	Isotope labeling	Concentration
1	Anaplastic lymphoma kinase ALK extracellular domain 673-1025	[U-100% 13C; U-100% 15N; U-100% 2H]	300 uM
2	sodium phosphate	natural abundance	20 mM
3	sodium chloride	natural abundance	150 mM
4	sodium azide	natural abundance	0.1 %

15 3D HN(CO)CA

Instrument

Bruker AVANCE NEO - 850 MHz

Sample

#	Name	Isotope labeling	Concentration
1	Anaplastic lymphoma kinase ALK extracellular domain 673-1025	[U-100% 13C; U-100% 15N; U-100% 2H]	300 uM
2	sodium phosphate	natural abundance	20 mM
3	sodium chloride	natural abundance	150 mM
4	sodium azide	natural abundance	0.1 %

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr30910_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)
1:16:CYS:SG	1:29:CYS:SG	oxidized, CA 55.364, CB 39.514 ppm	oxidized, CA 56.981, CB 37.156 ppm	n/a
1:111:CYS:SG	1:122:CYS:SG	oxidized, CA 52.406, CB 42.967 ppm	oxidized, CA 59.394, CB 39.86 ppm	n/a
1:234:CYS:SG	1:256:CYS:SG	oxidized, CA 53.769, CB 37.351 ppm	oxidized, CA 55.622, CB 34.934 ppm	n/a
1:315:CYS:SG	1:323:CYS:SG	oxidized, CA 52.219, CB 37.157 ppm	oxidized, CA 57.704, CB 35.369 ppm	n/a
1:318:CYS:SG	1:334:CYS:SG	oxidized, CA 53.48, CB 38.231 ppm	oxidized, CA 55.505, CB 37.438 ppm	n/a
1:336:CYS:SG	1:349:CYS:SG	oxidized, CA 53.337, CB 39.847 ppm	oxidized, CA 54.005, CB 40.686 ppm	n/a

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

None

Non-standard residues

None

Content subtype: bmr30910_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_1	Warning	2231		98.9 (chain: 1, length: 353)
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: 353, Sequence coverage: 98.9%
- Total number of assignments
  - ¹³C chemical shifts: 1098
  - ¹H chemical shifts: 810
  - ¹⁵N chemical shifts: 323
- Completeness of assignments
  - 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: 1

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	1441	1098	76.2
¹H chemical shifts	1922	508	26.4
¹⁵N chemical shifts	382	323	84.6

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	706	669	94.8
¹H chemical shifts	757	316	41.7
¹⁵N chemical shifts	337	316	93.8

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	735	429	58.4
¹H chemical shifts	1165	192	16.5
¹⁵N chemical shifts	45	7	15.6

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	169	151	89.3
¹H chemical shifts	169	151	89.3

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	135	34	25.2
¹H chemical shifts	142	41	28.9
¹⁵N chemical shifts	7	7	100.0

Keywords Anaplastic lymphoma kinase, DE NOVO PROTEIN, FAM150, LTK, RTK, Receptor tyrosine kinases, TRANSFERASE

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Found 1 Document (0.659 seconds)

BMRB: 30910

Sample #1

Sample #2

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

Related entities 1. ALK tyrosine kinase receptor (E.C.2.7.10.1), : 1 : 5 : 3 : 12 entities Detail

Interaction partners 1. ALK tyrosine kinase receptor (E.C.2.7.10.1), : 8 interactors Detail

Experiments performed 15 experiments Detail

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Chemical shift validation 3 contents Detail