BMRBj - BMREntryMaster

Found 1 Document (0.553 seconds)

BMRB: 16363

2KKJ

Solution structure of the Nuclear coactivator binding domain of CBP

Authors

Kjaergaard, M., Teilum, K., Poulsen, F.M.

Assembly

CBP

Entity

1. CBP (polymer, Thiol state: not present), 59 monomers, 6561.503 Da Detail

PNRSISPSAL QDLLRTLKSP SSPQQQQQVL NILKSNPQLM AAFIKQRTAK YVANQPGMQ

Formula weight

6561.503 Da

Source organism

Exptl. method

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 94.9 %, Completeness: 82.4 %, Completeness (bb): 89.2 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	82.4 % (588 of 714)	79.3 % (303 of 382)	88.7 % (235 of 265)	74.6 % (50 of 67)
Backbone	89.2 % (305 of 342)	89.4 % (101 of 113)	88.1 % (155 of 176)	92.5 % (49 of 53)
Sidechain	78.1 % (336 of 430)	75.1 % (202 of 269)	90.5 % (133 of 147)	7.1 % (1 of 14)
Aromatic	88.9 % (16 of 18)	88.9 % (8 of 9)	88.9 % (8 of 9)
Methyl	91.9 % (57 of 62)	93.5 % (29 of 31)	90.3 % (28 of 31)

1. CBP

PNRSISPSAL QDLLRTLKSP SSPQQQQQVL NILKSNPQLM AAFIKQRTAK YVANQPGMQ

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 304 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	D2O	natural abundance		10 %
2	sodium chloride	natural abundance		20 mM
3	sodium phosphate	natural abundance		20 mM
4	protein	[U-100% 13C; U-100% 15N]		2 mM
5	H2O	natural abundance		90 %

LACS Plot; CA

Referencing offset: -0.21 ppm, Outliers: 2 Detail

LACS Plot; CB

Referencing offset: -0.21 ppm, Outliers: 2 Detail

LACS Plot; HA

Referencing offset: 0.05 ppm, Outliers: 1 Detail

LACS Plot; CO

Referencing offset: 0.61 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 10 models in PDB: 2KKJ, Strand ID: A Detail

Release date

2010-08-15

Citation

Conformational selection in the molten globule state of the nuclear coactivator binding domain of CBP
Kjaergaard, M., Teilum, K., Poulsen, F.
Proc. Natl. Acad. Sci. U. S. A. (2010), 107, 12535-12540, PubMed 20616042 , DOI 10.1073/pnas.1001693107 , Abstract

Related entities 1. CBP, : 1 : 3 : 8 : 22 entities Detail

Interaction partners 1. CBP, : 1 interactors Detail

More details for 1 interactors identified by 1 citations

Experiments performed 8 experiments Detail

1 2D 1H-15N HSQC

Instrument

Varian INOVA - 750 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 304 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	D2O	natural abundance		10 %
2	sodium chloride	natural abundance		20 mM
3	sodium phosphate	natural abundance		20 mM
4	protein	[U-100% 13C; U-100% 15N]		2 mM
5	H2O	natural abundance		90 %

2 2D 1H-13C HSQC

Instrument

Varian INOVA - 750 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 304 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	D2O	natural abundance		10 %
2	sodium chloride	natural abundance		20 mM
3	sodium phosphate	natural abundance		20 mM
4	protein	[U-100% 13C; U-100% 15N]		2 mM
5	H2O	natural abundance		90 %

3 3D HNCO

Instrument

Varian INOVA - 750 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 304 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	D2O	natural abundance		10 %
2	sodium chloride	natural abundance		20 mM
3	sodium phosphate	natural abundance		20 mM
4	protein	[U-100% 13C; U-100% 15N]		2 mM
5	H2O	natural abundance		90 %

4 3D HNCACB

Instrument

Varian INOVA - 750 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 304 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	D2O	natural abundance		10 %
2	sodium chloride	natural abundance		20 mM
3	sodium phosphate	natural abundance		20 mM
4	protein	[U-100% 13C; U-100% 15N]		2 mM
5	H2O	natural abundance		90 %

5 3D CBCA(CO)NH

Instrument

Varian INOVA - 750 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 304 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	D2O	natural abundance		10 %
2	sodium chloride	natural abundance		20 mM
3	sodium phosphate	natural abundance		20 mM
4	protein	[U-100% 13C; U-100% 15N]		2 mM
5	H2O	natural abundance		90 %

6 3D 1H-15N NOESY

Instrument

Varian INOVA - 750 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 304 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	D2O	natural abundance		10 %
2	sodium chloride	natural abundance		20 mM
3	sodium phosphate	natural abundance		20 mM
4	protein	[U-100% 13C; U-100% 15N]		2 mM
5	H2O	natural abundance		90 %

7 3D 1H-15N TOCSY

Instrument

Varian INOVA - 750 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 304 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	D2O	natural abundance		10 %
2	sodium chloride	natural abundance		20 mM
3	sodium phosphate	natural abundance		20 mM
4	protein	[U-100% 13C; U-100% 15N]		2 mM
5	H2O	natural abundance		90 %

8 3D HCCH-TOCSY

Instrument

Varian INOVA - 750 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 304 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	D2O	natural abundance		10 %
2	sodium chloride	natural abundance		20 mM
3	sodium phosphate	natural abundance		20 mM
4	protein	[U-100% 13C; U-100% 15N]		2 mM
5	H2O	natural abundance		90 %

NMR combined restraints 3 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints	combined_16363_2kkj.nef
Input source #2: Coordindates	2kkj.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

--------10--------20--------30--------40--------50---------
PNRSISPSALQDLLRTLKSPSSPQQQQQVLNILKSNPQLMAAFIKQRTAKYVANQPGMQ
|||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
PNRSISPSALQDLLRTLKSPSSPQQQQQVLNILKSNPQLMAAFIKQRTAKYVANQPGMQ

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	59	0	0	100.0

Content subtype: combined_16363_2kkj.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	591		93.2 (chain: A, length: 59)
1	Distance restraints	CNS/XPLOR_distance_constraints_2	Warning	504 (1)	noe	91.5 (chain: A, length: 59)

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 59, Sequence coverage: 93.2%
- Total number of assignments
  - ¹H chemical shifts: 306
  - ¹³C chemical shifts: 236
  - ¹⁵N chemical shifts: 49
- Completeness of assignments
  - Entity_assemble_ID: A
- 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: A

Distance restraints

Saveframe: CNS/XPLOR_distance_constraints_2
- Status: Warning
- Experiment type: noe
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 59, Sequence coverage: 91.5%
- Total number of restraints: 504
- Weight of restraints: 1.0 (504)
- Potential type of restraints: square-well-parabolic (504)
- Range of distance target values: 2.06, 4.62 (Å)
- Histogram of distance target values
- Histogram of discrepancy in distance target values
- Distance restraints per residue
  - Chain_ID: A
- Distance restraints on contact map

Keywords CBP, CREB binding protein, iBID, nuclear coactivator domain, p160