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BMRB: 26553

5AJ1

Solution Structure of the Smarc Domain

Authors

Allen, M.D., Freund, S.M.V., Bycroft, M.

Assembly

Solution Structure of the Smarc Domain

Entity

1. Solution Structure of the Smarc Domain (polymer, Thiol state: not present), 115 monomers, 12974.73 Da Detail

GGSMMMALSK TFGQKPVKFQ LEDDGEFYMI GSEVGNYLRM FRGSLYKRYP SLWRRLATVE ERKKIVASSH GKKTKPNTKD HGYTTLATSV TLLKASEVEE ILDGNDEKYK AVSIS

Formula weight

12974.73 Da

Source organism

Exptl. method

Refine. method

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 99.1 %, Completeness: 77.3 %, Completeness (bb): 90.8 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	77.3 % (1050 of 1359)	85.2 % (606 of 711)	63.0 % (334 of 530)	93.2 % (110 of 118)
Backbone	90.8 % (621 of 684)	80.6 % (191 of 237)	95.5 % (320 of 335)	98.2 % (110 of 112)
Sidechain	68.1 % (531 of 780)	87.6 % (415 of 474)	38.7 % (116 of 300)	0.0 % (0 of 6)
Aromatic	50.0 % (54 of 108)	96.3 % (52 of 54)	3.8 % (2 of 53)	0.0 % (0 of 1)
Methyl	52.7 % (59 of 112)	87.5 % (49 of 56)	17.9 % (10 of 56)

1. SWI-SNF-RELATED MATRIX-ASSOCIATED ACTIN-DEPENDENT OF CHROMATIN SUBFAMILY B M

GGSMMMALSK TFGQKPVKFQ LEDDGEFYMI GSEVGNYLRM FRGSLYKRYP SLWRRLATVE ERKKIVASSH GKKTKPNTKD HGYTTLATSV TLLKASEVEE ILDGNDEKYK AVSIS

Show sample condition

Sample

Solvent system 95% water/5% D2O, Pressure 1.000 atm, Temperature 293.000 K, pH 6.500, Details 1.5 mmol/l

#	Name	Isotope labeling	Type	Concentration
1	SWI/SNF-RELATED MATRIX-ASSOCIATED ACTIN-DEPENDENT OF CHROMATIN SUBFAMILY B M	[U-13C; U-15N]		1.5 mM
2	potassium phosphate	natural abundance		20 mM
3	NaCl	natural abundance		100 mM

LACS Plot; CA

Referencing offset: 0.14 ppm, Outliers: 1 Detail

LACS Plot; CB

Referencing offset: 0.14 ppm, Outliers: 1 Detail

LACS Plot; HA

Referencing offset: 0.04 ppm, Outliers: 1 Detail

LACS Plot; CO

Referencing offset: 0.2 ppm, Outliers: 2 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 5AJ1, Strand ID: A Detail

Release date

2015-08-02

Related entities 1. Solution Structure of the Smarc Domain, : 4 : 10 entities Detail

Interaction partners 1. Solution Structure of the Smarc Domain, : 17 interactors Detail

More details for 17 interactors identified by 10 citations

Experiments performed 9 experiments Detail

1 NOESY

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 95% water/5% D2O, Pressure 1.000 atm, Temperature 293.000 K, pH 6.500, Details 1.5 mmol/l

#	Name	Isotope labeling	Type	Concentration
1	SWI/SNF-RELATED MATRIX-ASSOCIATED ACTIN-DEPENDENT OF CHROMATIN SUBFAMILY B M	[U-13C; U-15N]		1.5 mM
2	potassium phosphate	natural abundance		20 mM
3	NaCl	natural abundance		100 mM

2 TOCSY

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 95% water/5% D2O, Pressure 1.000 atm, Temperature 293.000 K, pH 6.500, Details 1.5 mmol/l

#	Name	Isotope labeling	Type	Concentration
1	SWI/SNF-RELATED MATRIX-ASSOCIATED ACTIN-DEPENDENT OF CHROMATIN SUBFAMILY B M	[U-13C; U-15N]		1.5 mM
2	potassium phosphate	natural abundance		20 mM
3	NaCl	natural abundance		100 mM

3 DQF-COSY

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 95% water/5% D2O, Pressure 1.000 atm, Temperature 293.000 K, pH 6.500, Details 1.5 mmol/l

#	Name	Isotope labeling	Type	Concentration
1	SWI/SNF-RELATED MATRIX-ASSOCIATED ACTIN-DEPENDENT OF CHROMATIN SUBFAMILY B M	[U-13C; U-15N]		1.5 mM
2	potassium phosphate	natural abundance		20 mM
3	NaCl	natural abundance		100 mM

4 HSQC

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 95% water/5% D2O, Pressure 1.000 atm, Temperature 293.000 K, pH 6.500, Details 1.5 mmol/l

#	Name	Isotope labeling	Type	Concentration
1	SWI/SNF-RELATED MATRIX-ASSOCIATED ACTIN-DEPENDENT OF CHROMATIN SUBFAMILY B M	[U-13C; U-15N]		1.5 mM
2	potassium phosphate	natural abundance		20 mM
3	NaCl	natural abundance		100 mM

5 HNCACB

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 95% water/5% D2O, Pressure 1.000 atm, Temperature 293.000 K, pH 6.500, Details 1.5 mmol/l

#	Name	Isotope labeling	Type	Concentration
1	SWI/SNF-RELATED MATRIX-ASSOCIATED ACTIN-DEPENDENT OF CHROMATIN SUBFAMILY B M	[U-13C; U-15N]		1.5 mM
2	potassium phosphate	natural abundance		20 mM
3	NaCl	natural abundance		100 mM

6 CBCACONH

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 95% water/5% D2O, Pressure 1.000 atm, Temperature 293.000 K, pH 6.500, Details 1.5 mmol/l

#	Name	Isotope labeling	Type	Concentration
1	SWI/SNF-RELATED MATRIX-ASSOCIATED ACTIN-DEPENDENT OF CHROMATIN SUBFAMILY B M	[U-13C; U-15N]		1.5 mM
2	potassium phosphate	natural abundance		20 mM
3	NaCl	natural abundance		100 mM

7 HNCO

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 95% water/5% D2O, Pressure 1.000 atm, Temperature 293.000 K, pH 6.500, Details 1.5 mmol/l

#	Name	Isotope labeling	Type	Concentration
1	SWI/SNF-RELATED MATRIX-ASSOCIATED ACTIN-DEPENDENT OF CHROMATIN SUBFAMILY B M	[U-13C; U-15N]		1.5 mM
2	potassium phosphate	natural abundance		20 mM
3	NaCl	natural abundance		100 mM

8 HNCACO

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 95% water/5% D2O, Pressure 1.000 atm, Temperature 293.000 K, pH 6.500, Details 1.5 mmol/l

#	Name	Isotope labeling	Type	Concentration
1	SWI/SNF-RELATED MATRIX-ASSOCIATED ACTIN-DEPENDENT OF CHROMATIN SUBFAMILY B M	[U-13C; U-15N]		1.5 mM
2	potassium phosphate	natural abundance		20 mM
3	NaCl	natural abundance		100 mM

9 HNHB

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 95% water/5% D2O, Pressure 1.000 atm, Temperature 293.000 K, pH 6.500, Details 1.5 mmol/l

#	Name	Isotope labeling	Type	Concentration
1	SWI/SNF-RELATED MATRIX-ASSOCIATED ACTIN-DEPENDENT OF CHROMATIN SUBFAMILY B M	[U-13C; U-15N]		1.5 mM
2	potassium phosphate	natural abundance		20 mM
3	NaCl	natural abundance		100 mM

NMR combined restraints 5 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints	combined_26553_5aj1.nef
Input source #2: Coordindates	5aj1.cif
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

Sequence alignments

Entity_assembly_ID (NMR): A vs Auth_asym_ID (model): A

-0--------10--------20--------30--------40--------50--------60--------70--------80--------90-------1
GGSMMMALSKTFGQKPVKFQLEDDGEFYMIGSEVGNYLRMFRGSLYKRYPSLWRRLATVEERKKIVASSHGKKTKPNTKDHGYTTLATSVTLLKASEVEE
||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
GGSMMMALSKTFGQKPVKFQLEDDGEFYMIGSEVGNYLRMFRGSLYKRYPSLWRRLATVEERKKIVASSHGKKTKPNTKDHGYTTLATSVTLLKASEVEE
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100

00-------110---
ILDGNDEKYKAVSIS
|||||||||||||||
ILDGNDEKYKAVSIS
-------110-----

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	115	0	0	100.0

Content subtype: combined_26553_5aj1.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list	Warning	1149		99.1 (chain: A, length: 115)
1	Distance restraints	CNS/XPLOR_distance_constraints_2	OK	3494 (1)	noe	98.3 (chain: A, length: 115)
2	Distance restraints	CNS/XPLOR_distance_constraints_3	OK	84 (1)	hbond	47.8 (chain: A, length: 115)
1	Dihedral angle restraints	CNS/XPLOR_dihedral_4	OK	192 (192)	.	75.7 (chain: A, length: 115)

Assigned chemical shifts

Saveframe: assigned_chem_shift_list
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 115, Sequence coverage: 99.1%
- Total number of assignments
  - ¹³C chemical shifts: 333
  - ¹H chemical shifts: 706
  - ¹⁵N chemical shifts: 110
- Completeness of assignments
  - Entity_assemble_ID: A
- Peptide bond of PRO
- Histogram of normalized assigned chemical shifts
- Random coil index and derived parameters (S² and NMR RMSD)
  - Chain_ID: A

Distance restraints

Saveframe: CNS/XPLOR_distance_constraints_2
- Status: OK
- Experiment type: noe
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 115, Sequence coverage: 98.3%
- Total number of restraints: 3458
- Weight of restraints: 1.0 (3458)
- Potential type of restraints: square-well-parabolic (3458)
- Range of distance target values: 2.3, 3.9 (Å)
- Histogram of distance target values
- Distance restraints per residue
  - Chain_ID: A
- Distance restraints on contact map
- Saveframe: CNS/XPLOR_distance_constraints_3
  - Status: OK
  - Experiment type: hbond
  - Sequence coverage of experimental data
    - Entity_assembly_ID: A, Chain length: 115, Sequence coverage: 47.8%
  - Total number of restraints: 84
  - Weight of restraints: 1.0 (84)
  - Potential type of restraints: square-well-parabolic (84)
  - Range of distance target values: 1.95, 2.9 (Å)
  - Histogram of distance target values
  - Distance restraints per residue
    - Chain_ID: A
  - Distance restraints on contact map

Dihedral angle restraints

Saveframe: CNS/XPLOR_dihedral_4
- Status: OK
- Experiment type: .
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 115, Sequence coverage: 75.7%
- Total number of restraints: 192
- Total number of restraints per polymer type: 192
- Weight of restraints: 1.0 (192)
- Potential type of restraints: square-well-parabolic (192)
- Plot of Phi-Psi angle restraints
- Dihedral angle restraints per residue
  - Chain_ID: A

Keywords STRUCTURAL PROTEIN