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BMRB: 15938

2K85

p190-A RhoGAP FF1 domain

Authors

Bonet, R., Ruiz, L., Martin-Malpartida, P., Macias, M.

Assembly

p190-A RhoGAPFF1

Entity

1. p190-A RhoGAPFF1 (polymer, Thiol state: not present), 69 monomers, 8158.203 Da Detail

GAMGSQQIAT AKDKYEWLVS RIVKNHNENW LSVSRKMQAS PEYQDYVYLE GTQKAKKLFL QHIHRLKHE

Formula weight

8158.203 Da

Source organism

Exptl. method

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 97.1 %, Completeness: 83.7 %, Completeness (bb): 79.6 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	83.7 % (718 of 858)	90.5 % (409 of 452)	72.5 % (237 of 327)	91.1 % (72 of 79)
Backbone	79.6 % (328 of 412)	95.0 % (133 of 140)	65.2 % (133 of 204)	91.2 % (62 of 68)
Sidechain	88.3 % (452 of 512)	88.5 % (276 of 312)	87.8 % (166 of 189)	90.9 % (10 of 11)
Aromatic	86.6 % (71 of 82)	97.6 % (40 of 41)	74.4 % (29 of 39)	100.0 % (2 of 2)
Methyl	97.0 % (64 of 66)	97.0 % (32 of 33)	97.0 % (32 of 33)

1. p190-A RhoGAP FF1 domain

GAMGSQQIAT AKDKYEWLVS RIVKNHNENW LSVSRKMQAS PEYQDYVYLE GTQKAKKLFL QHIHRLKHE

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 285 K, pH 7.2

#	Name	Isotope labeling	Type	Concentration
1	p190-A RhoGAP FF1 domain	natural abundance		1 mM
2	sodium phosphate	natural abundance		50 mM
3	sodium chloride	natural abundance		150 mM
4	sodium azide	natural abundance		0.5 mM

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 285 K, pH 7.2

#	Name	Isotope labeling	Type	Concentration
5	p190-A RhoGAP FF1 domain	[U-100% 13C; U-100% 15N]		0.5 mM
6	sodium phosphate	natural abundance		50 mM
7	sodium chloride	natural abundance		150 mM
8	sodium azide	natural abundance		0.5 mM

Sample #3

Solvent system 100% D2O, Pressure 1 atm, Temperature 285 K, pH 7.2

#	Name	Isotope labeling	Type	Concentration
9	p190-A RhoGAP FF1 domain	[U-100% 13C; U-100% 15N]		0.5 mM
10	sodium phosphate	natural abundance		50 mM
11	sodium chloride	natural abundance		150 mM
12	sodium azide	natural abundance		0.5 mM

LACS Plot; CA

Referencing offset: 1.8 ppm, Outliers: 2 Detail

LACS Plot; CB

Referencing offset: 1.8 ppm, Outliers: 2 Detail

LACS Plot; HA

Referencing offset: 0.26 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 15 models in PDB: 2K85, Strand ID: A Detail

Release date

2009-04-28

Citation

NMR structural studies on human p190-A RhoGAPFF1 revealed that domain phosphorylation by the PDGF-receptor alpha requires its previous unfolding
Bonet, R., Ruiz, L., Aragon, E., Martin-Malpartida, P., Macias, M.J.
J. Mol. Biol. (2009), 389, 230-237, PubMed 19393245 , DOI 10.1016/j.jmb.2009.04.035 , Abstract

Related entities 1. p190-A RhoGAPFF1, : 1 : 5 : 15 entities Detail

Interaction partners 1. p190-A RhoGAPFF1, : 5 interactors Detail

More details for 5 interactors identified by 5 citations

Experiments performed 8 experiments Detail

1 2D 1H-1H TOCSY

Instrument

Bruker AMX - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 285 K, pH 7.2

#	Name	Isotope labeling	Type	Concentration
1	p190-A RhoGAP FF1 domain	natural abundance		1 mM
2	sodium phosphate	natural abundance		50 mM
3	sodium chloride	natural abundance		150 mM
4	sodium azide	natural abundance		0.5 mM

2 2D 1H-1H NOESY

Instrument

Bruker AMX - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 285 K, pH 7.2

#	Name	Isotope labeling	Type	Concentration
1	p190-A RhoGAP FF1 domain	natural abundance		1 mM
2	sodium phosphate	natural abundance		50 mM
3	sodium chloride	natural abundance		150 mM
4	sodium azide	natural abundance		0.5 mM

3 3D CBCA(CO)NH

Instrument

Bruker AMX - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 285 K, pH 7.2

#	Name	Isotope labeling	Type	Concentration
5	p190-A RhoGAP FF1 domain	[U-100% 13C; U-100% 15N]		0.5 mM
6	sodium phosphate	natural abundance		50 mM
7	sodium chloride	natural abundance		150 mM
8	sodium azide	natural abundance		0.5 mM

4 3D HNCACB

Instrument

Bruker AMX - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 285 K, pH 7.2

#	Name	Isotope labeling	Type	Concentration
5	p190-A RhoGAP FF1 domain	[U-100% 13C; U-100% 15N]		0.5 mM
6	sodium phosphate	natural abundance		50 mM
7	sodium chloride	natural abundance		150 mM
8	sodium azide	natural abundance		0.5 mM

5 3D 1H-15N NOESY

Instrument

Bruker AMX - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 285 K, pH 7.2

#	Name	Isotope labeling	Type	Concentration
5	p190-A RhoGAP FF1 domain	[U-100% 13C; U-100% 15N]		0.5 mM
6	sodium phosphate	natural abundance		50 mM
7	sodium chloride	natural abundance		150 mM
8	sodium azide	natural abundance		0.5 mM

6 3D HNHA

Instrument

Bruker AMX - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 285 K, pH 7.2

#	Name	Isotope labeling	Type	Concentration
5	p190-A RhoGAP FF1 domain	[U-100% 13C; U-100% 15N]		0.5 mM
6	sodium phosphate	natural abundance		50 mM
7	sodium chloride	natural abundance		150 mM
8	sodium azide	natural abundance		0.5 mM

7 3D HCCH-TOCSY

Instrument

Bruker AMX - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 285 K, pH 7.2

#	Name	Isotope labeling	Type	Concentration
9	p190-A RhoGAP FF1 domain	[U-100% 13C; U-100% 15N]		0.5 mM
10	sodium phosphate	natural abundance		50 mM
11	sodium chloride	natural abundance		150 mM
12	sodium azide	natural abundance		0.5 mM

8 3D 1H-13C NOESY

Instrument

Bruker AMX - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 285 K, pH 7.2

#	Name	Isotope labeling	Type	Concentration
9	p190-A RhoGAP FF1 domain	[U-100% 13C; U-100% 15N]		0.5 mM
10	sodium phosphate	natural abundance		50 mM
11	sodium chloride	natural abundance		150 mM
12	sodium azide	natural abundance		0.5 mM

NMR combined restraints 5 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints	combined_15938_2k85.nef
Input source #2: Coordindates	2k85.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--------60---------
GAMGSQQIATAKDKYEWLVSRIVKNHNENWLSVSRKMQASPEYQDYVYLEGTQKAKKLFLQHIHRLKHE
|||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
GAMGSQQIATAKDKYEWLVSRIVKNHNENWLSVSRKMQASPEYQDYVYLEGTQKAKKLFLQHIHRLKHE

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	69	0	0	100.0

Content subtype: combined_15938_2k85.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	747		97.1 (chain: A, length: 69)
1	Distance restraints	CNS/XPLOR_distance_constraints_2	Warning	1562 (1)	noe	97.1 (chain: A, length: 69)
2	Distance restraints	CNS/XPLOR_distance_constraints_4	OK	70 (1)	hbond	73.9 (chain: A, length: 69)
1	Dihedral angle restraints	CNS/XPLOR_dihedral_3	OK	82 (82)	.	71.0 (chain: A, length: 69)

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 69, Sequence coverage: 97.1%
- Total number of assignments
  - ¹H chemical shifts: 442
  - ¹³C chemical shifts: 233
  - ¹⁵N chemical shifts: 72
- Completeness of assignments
  - Entity_assemble_ID: A
- Tautomeric state of HIS
- 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: 69, Sequence coverage: 97.1%
- Total number of restraints: 1562
- Weight of restraints: 1.0 (1562)
- Potential type of restraints: square-well-parabolic (1562)
- Range of distance target values: 1.42, 8.25 (Å)
- Histogram of distance target values
- Distance restraints per residue
  - Chain_ID: A
- Distance restraints on contact map
- Saveframe: CNS/XPLOR_distance_constraints_4
  - Status: OK
  - Experiment type: hbond
  - Sequence coverage of experimental data
    - Entity_assembly_ID: A, Chain length: 69, Sequence coverage: 73.9%
  - Total number of restraints: 70
  - Weight of restraints: 1.0 (70)
  - Potential type of restraints: square-well-parabolic (70)
  - Range of distance target values: 1.9, 2.85 (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_3
- Status: OK
- Experiment type: .
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 69, Sequence coverage: 71.0%
- Total number of restraints: 82
- Total number of restraints per polymer type: 82
- Weight of restraints: 1.0 (82)
- Potential type of restraints: square-well-parabolic (82)
- Plot of Phi-Psi angle restraints
- Dihedral angle restraints per residue
  - Chain_ID: A

Keywords FF domain, p190-A RhoGAP, protein phosphorylation