BMRBj - BMREntryMaster

Found 1 Document (1.235 seconds)

BMRB: 30771

4XEY

Abl isoform 1b inactive1 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: 41.1 %, Completeness: 12.1 %, Completeness (bb): 6.3 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C
All	12.1 % (381 of 3142)	11.2 % (201 of 1790)	13.3 % (180 of 1352)
Backbone	6.3 % (89 of 1423)	6.9 % (40 of 579)	5.8 % (49 of 844)
Sidechain	16.1 % (321 of 1989)	13.3 % (161 of 1211)	20.6 % (160 of 778)
Aromatic	7.1 % (24 of 339)	6.9 % (12 of 173)	7.2 % (12 of 166)
Methyl	79.3 % (238 of 300)	79.3 % (119 of 150)	79.3 % (119 of 150)

1. entity 1

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 283 K, pH 6.5, Details 250 uM U-15N U-2H U-1H13C ILVMAT CH3 and Phe HE12-CE12 Abl M309L/H415P Variant, 5 mM beta-mercaptoethanol, 25 mM sodium phosphate, 75 mM sodium chloride, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	Abl M309L/H415P Variant	[U-15N U-2H U-1H13C ILVMAT CH3 and Phe HE12-CE12]	250 uM
2	beta-mercaptoethanol	natural abundance	5 mM
3	sodium phosphate	natural abundance	25 mM
4	sodium chloride	natural abundance	75 mM

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 283 K, pH 6.5, Details 250 uM U-15N U-2H U-1H13C ILVMAT CH3 and Phe HE12-CE12 Abl M309L/H415P, 5 mM beta-mercaptoethanol, 25 mM sodium phosphate, 75 mM sodium chloride, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
5	beta-mercaptoethanol	natural abundance	5 mM
6	sodium phosphate	natural abundance	25 mM
7	sodium chloride	natural abundance	75 mM
8	Abl M309L/H415P	[U-15N; U-2H; U-1H13C; ILVMAT CH3 and Phe HE12-CE12]	250 uM

Release date

2020-07-29

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: 30772 released on 2020-07-29
    Title Abl 1b isoform inactive2 state
  BMRB: 30770 released on 2020-07-17
    Title Ablb 1b isoform active 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 7 experiments Detail

1 2D 1H-13C TROSY aromatic

Instrument

Bruker AVANCE - na MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 283 K, pH 6.5, Details 250 uM U-15N U-2H U-1H13C ILVMAT CH3 and Phe HE12-CE12 Abl M309L/H415P Variant, 5 mM beta-mercaptoethanol, 25 mM sodium phosphate, 75 mM sodium chloride, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	Abl M309L/H415P Variant	[U-15N U-2H U-1H13C ILVMAT CH3 and Phe HE12-CE12]	250 uM
2	beta-mercaptoethanol	natural abundance	5 mM
3	sodium phosphate	natural abundance	25 mM
4	sodium chloride	natural abundance	75 mM

2 2D 1H-15N TROSY

Instrument

Bruker AVANCE - 850 MHz

Sample

#	Name	Isotope labeling	Concentration
1	Abl M309L/H415P Variant	[U-15N U-2H U-1H13C ILVMAT CH3 and Phe HE12-CE12]	250 uM
2	beta-mercaptoethanol	natural abundance	5 mM
3	sodium phosphate	natural abundance	25 mM
4	sodium chloride	natural abundance	75 mM

3 2D 1H-13C HMQC

Instrument

Bruker AVANCE - na MHz

Sample

#	Name	Isotope labeling	Concentration
1	Abl M309L/H415P Variant	[U-15N U-2H U-1H13C ILVMAT CH3 and Phe HE12-CE12]	250 uM
2	beta-mercaptoethanol	natural abundance	5 mM
3	sodium phosphate	natural abundance	25 mM
4	sodium chloride	natural abundance	75 mM

4 3D 1H-13C NOESY aromatic

Instrument

Bruker AVANCE - na MHz

Sample

#	Name	Isotope labeling	Concentration
1	Abl M309L/H415P Variant	[U-15N U-2H U-1H13C ILVMAT CH3 and Phe HE12-CE12]	250 uM
2	beta-mercaptoethanol	natural abundance	5 mM
3	sodium phosphate	natural abundance	25 mM
4	sodium chloride	natural abundance	75 mM

5 3D 1H-13C NOESY aliphatic

Instrument

Bruker AVANCE - na MHz

Sample

#	Name	Isotope labeling	Concentration
1	Abl M309L/H415P Variant	[U-15N U-2H U-1H13C ILVMAT CH3 and Phe HE12-CE12]	250 uM
2	beta-mercaptoethanol	natural abundance	5 mM
3	sodium phosphate	natural abundance	25 mM
4	sodium chloride	natural abundance	75 mM

6 3D CCH-NOESY

Instrument

Bruker AVANCE - na MHz

Sample

#	Name	Isotope labeling	Concentration
1	Abl M309L/H415P Variant	[U-15N U-2H U-1H13C ILVMAT CH3 and Phe HE12-CE12]	250 uM
2	beta-mercaptoethanol	natural abundance	5 mM
3	sodium phosphate	natural abundance	25 mM
4	sodium chloride	natural abundance	75 mM

7 3D 15N NOESY

Instrument

Bruker AVANCE - 850 MHz

Sample

#	Name	Isotope labeling	Concentration
1	Abl M309L/H415P Variant	[U-15N U-2H U-1H13C ILVMAT CH3 and Phe HE12-CE12]	250 uM
2	beta-mercaptoethanol	natural abundance	5 mM
3	sodium phosphate	natural abundance	25 mM
4	sodium chloride	natural abundance	75 mM

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr30771_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: bmr30771_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_1	Warning	544		34.5 (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: 34.5%
- Total number of assignments
  - ¹H chemical shifts: 402
  - ¹³C chemical shifts: 142
- Completeness of assignments
- 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

Keywords ONCOPROTEIN, abl kinase 1b isoform

Search

Query history

Resources

Search for primary databases

Search for subsidiary databases

Display

Hits per page

Statistics

Query Changes will take effect after "OK" button is selected.

Maximum hits

Default conjunction operator

Omni-box

Search filter

Sequence search (BLAST)

E-value

Query sequence coverage

Miscellaneous

The number of previewed publications

Completeness of assigned chemical shift

Sequence chart about top aligned regions

Sequence chart about interacting regions

Hit context with highlight

Link destinations for BMRB, PDB and EMDB

Found 1 Document (1.235 seconds)

BMRB: 30771

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 7 experiments Detail

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Chemical shift validation 3 contents Detail