BMRBj - BMREntryMaster

Found 1 Document (1.468 seconds)

BMRB: 30770

4XEY

Ablb 1b isoform active state

Authors

Xie, T., Saleh, T., Rossi, P., Kalodimos, C.G.

Assembly

Tyrosine-protein kinase ABL1 (E.C.2.7.10.2)

Entity

1. Tyrosine-protein kinase ABL1 (E.C.2.7.10.2) (polymer), 287 monomers, 33142.55 Da Detail

SPNYDKWEME RTDITMKHKL GGGQYGEVYE GVWKKYSLTV AVKTLKEDTM EVEEFLKEAA VMKEIKHPNL VQLLGVCTRE PPFYIITEFM TYGNLLDYLR ECNRQEVNAV VLLYMATQIS SAMEYLEKKN FIHRDLAARN CLVGENHLVK VADFGLSRLM TGDTYTAHAG AKFPIKWTAP ESLAYNKFSI KSDVWAFGVL LWEIATYGMS PYPGIDLSQV YELLEKDYRM ERPEGCPEKV YELMRACWQW NPSDRPSFAE IHQAFETMFQ ESSISDEVEK ELGKQGV

Formula weight

33142.55 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 80.1 %, Completeness: 24.1 %, Completeness (bb): 26.0 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	24.1 % (834 of 3454)	23.5 % (420 of 1790)	17.4 % (235 of 1352)	57.4 % (179 of 312)
Backbone	26.0 % (442 of 1698)	33.3 % (193 of 579)	9.1 % (77 of 844)	62.5 % (172 of 275)
Sidechain	21.5 % (435 of 2026)	18.7 % (227 of 1211)	25.8 % (201 of 778)	18.9 % (7 of 37)
Aromatic	16.8 % (58 of 346)	19.1 % (33 of 173)	10.8 % (18 of 166)	100.0 % (7 of 7)
Methyl	91.3 % (274 of 300)	91.3 % (137 of 150)	91.3 % (137 of 150)

1. entity 1

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 283 K, pH 7.1, Details 250 uM [U-15N] Abl 1b isoform (Active), 25 mM sodium phosphate, 75 mM sodium chloride, 2.5 mM b-mercaptoethanol, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	Abl 1b isoform (Active)	[U-15N]	250 uM
2	sodium phosphate	natural abundance	25 mM
3	sodium chloride	natural abundance	75 mM
4	b-mercaptoethanol	natural abundance	2.5 mM

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 283 K, pH 7.1, Details 250 uM [U-100% 13C; U-100% 15N; U-100% 2H] Abl 1b isoform (Active), 25 mM sodium phosphate, 75 mM sodium chloride, 2.5 mM b-mercaptoethanol, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
5	Abl 1b isoform (Active)	[U-100% 13C; U-100% 15N; U-100% 2H]	250 uM
6	sodium phosphate	natural abundance	25 mM
7	sodium chloride	natural abundance	75 mM
8	b-mercaptoethanol	natural abundance	2.5 mM

Release date

2020-07-17

Citation

Conformational states dynamically populated by a kinase determine its function
Xie, T., Saleh, T., Rossi, P., Kalodimos, C.G.
Science (2020), 370, eabc2754-eabc2754, PubMed 33004676 , DOI 10.1126/science.abc2754 , Abstract

Entries sharing articles BMRB: 2 entries Detail

  BMRB: 30771 released on 2020-07-29
    Title Abl isoform 1b inactive1 state
  BMRB: 30772 released on 2020-07-29
    Title Abl 1b isoform inactive2 state

Related entities 1. Tyrosine-protein kinase ABL1 (E.C.2.7.10.2), : 1 : 5 : 1 : 34 : 259 entities Detail

Interaction partners 1. Tyrosine-protein kinase ABL1 (E.C.2.7.10.2), : 65 interactors Detail

More details for 65 interactors identified by 45 citations

Experiments performed 11 experiments Detail

1 2D 1H-13C HSQC aromatic

Instrument

Bruker AVANCE - na MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 283 K, pH 7.1, Details 250 uM [U-15N] Abl 1b isoform (Active), 25 mM sodium phosphate, 75 mM sodium chloride, 2.5 mM b-mercaptoethanol, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	Abl 1b isoform (Active)	[U-15N]	250 uM
2	sodium phosphate	natural abundance	25 mM
3	sodium chloride	natural abundance	75 mM
4	b-mercaptoethanol	natural abundance	2.5 mM

2 2D hmqc methyl

Instrument

Bruker AVANCE - na MHz

Sample

#	Name	Isotope labeling	Concentration
1	Abl 1b isoform (Active)	[U-15N]	250 uM
2	sodium phosphate	natural abundance	25 mM
3	sodium chloride	natural abundance	75 mM
4	b-mercaptoethanol	natural abundance	2.5 mM

3 2D 15N trosy

Instrument

Bruker AVANCE - na MHz

Sample

#	Name	Isotope labeling	Concentration
1	Abl 1b isoform (Active)	[U-15N]	250 uM
2	sodium phosphate	natural abundance	25 mM
3	sodium chloride	natural abundance	75 mM
4	b-mercaptoethanol	natural abundance	2.5 mM

4 3D 1H-13C sofast NOESY aliphatic

Instrument

Bruker AVANCE - na MHz

Sample

#	Name	Isotope labeling	Concentration
1	Abl 1b isoform (Active)	[U-15N]	250 uM
2	sodium phosphate	natural abundance	25 mM
3	sodium chloride	natural abundance	75 mM
4	b-mercaptoethanol	natural abundance	2.5 mM

5 3D 1H-13C sofast NOESY aromatic

Instrument

Bruker AVANCE - 850 MHz

Sample

#	Name	Isotope labeling	Concentration
1	Abl 1b isoform (Active)	[U-15N]	250 uM
2	sodium phosphate	natural abundance	25 mM
3	sodium chloride	natural abundance	75 mM
4	b-mercaptoethanol	natural abundance	2.5 mM

6 3D HMBC-HMQC

Instrument

Bruker AVANCE - 850 MHz

Sample

#	Name	Isotope labeling	Concentration
1	Abl 1b isoform (Active)	[U-15N]	250 uM
2	sodium phosphate	natural abundance	25 mM
3	sodium chloride	natural abundance	75 mM
4	b-mercaptoethanol	natural abundance	2.5 mM

7 3D 15N NOESY

Instrument

Bruker AVANCE - 850 MHz

Sample

#	Name	Isotope labeling	Concentration
1	Abl 1b isoform (Active)	[U-15N]	250 uM
2	sodium phosphate	natural abundance	25 mM
3	sodium chloride	natural abundance	75 mM
4	b-mercaptoethanol	natural abundance	2.5 mM

8 3D HNCO

Instrument

Bruker AVANCE - 850 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 283 K, pH 7.1, Details 250 uM [U-100% 13C; U-100% 15N; U-100% 2H] Abl 1b isoform (Active), 25 mM sodium phosphate, 75 mM sodium chloride, 2.5 mM b-mercaptoethanol, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
5	Abl 1b isoform (Active)	[U-100% 13C; U-100% 15N; U-100% 2H]	250 uM
6	sodium phosphate	natural abundance	25 mM
7	sodium chloride	natural abundance	75 mM
8	b-mercaptoethanol	natural abundance	2.5 mM

9 3D HNCA

Instrument

Bruker AVANCE - 850 MHz

Sample

#	Name	Isotope labeling	Concentration
5	Abl 1b isoform (Active)	[U-100% 13C; U-100% 15N; U-100% 2H]	250 uM
6	sodium phosphate	natural abundance	25 mM
7	sodium chloride	natural abundance	75 mM
8	b-mercaptoethanol	natural abundance	2.5 mM

10 3D HNCACB

Instrument

Bruker AVANCE - 850 MHz

Sample

#	Name	Isotope labeling	Concentration
5	Abl 1b isoform (Active)	[U-100% 13C; U-100% 15N; U-100% 2H]	250 uM
6	sodium phosphate	natural abundance	25 mM
7	sodium chloride	natural abundance	75 mM
8	b-mercaptoethanol	natural abundance	2.5 mM

11 3D CCH_NOESY

Instrument

Bruker AVANCE - na MHz

Sample

#	Name	Isotope labeling	Concentration
1	Abl 1b isoform (Active)	[U-15N]	250 uM
2	sodium phosphate	natural abundance	25 mM
3	sodium chloride	natural abundance	75 mM
4	b-mercaptoethanol	natural abundance	2.5 mM

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr30770_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: bmr30770_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_1	Warning	977		78.4 (chain: 1, length: 287)
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: 287, Sequence coverage: 78.4%
- Total number of assignments
  - ¹⁵N chemical shifts: 171
  - ¹H chemical shifts: 638
  - ¹³C chemical shifts: 168
- Completeness of assignments
  - Entity_assemble_ID: 1
- 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 (%)
¹⁵N chemical shifts	312	171	54.8
¹H chemical shifts	1790	338	18.9
¹³C chemical shifts	1352	168	12.4

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹⁵N chemical shifts	275	164	59.6
¹H chemical shifts	579	163	28.2
¹³C chemical shifts	574	0	0.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹⁵N chemical shifts	37	7	18.9
¹H chemical shifts	1211	175	14.5
¹³C chemical shifts	778	168	21.6

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	162	150	92.6
¹³C chemical shifts	162	150	92.6

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹⁵N chemical shifts	7	7	100.0
¹H chemical shifts	173	25	14.5
¹³C chemical shifts	166	18	10.8

Keywords ONCOPROTEIN, abl kinase

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Found 1 Document (1.468 seconds)

BMRB: 30770

Sample #1

Sample #2

Entries sharing articles BMRB: 2 entries Detail

Related entities 1. Tyrosine-protein kinase ABL1 (E.C.2.7.10.2), : 1 : 5 : 1 : 34 : 259 entities Detail

Interaction partners 1. Tyrosine-protein kinase ABL1 (E.C.2.7.10.2), : 65 interactors Detail

Experiments performed 11 experiments Detail

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Chemical shift validation 3 contents Detail