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BMRB: 19685

2MY7

RRM3 intermediate state

Authors

Bhatt, H., Kaushik, A., Gupta, D., Bhavesh, N.

Assembly

RRM3 intermediate state

Entity

1. RRM3 intermediate state (polymer), 97 monomers, 10917.44 Da Detail

GSHMQKEGPE GANLFIYHLP QEFGDQDILQ MFMPFGNVIS AKVFIDKQTN LSKCFGFVSY DNPVSAQAAI QAMNGFQIGM KRLKVQLKRS KNDSKPY

Formula weight

10917.44 Da

Source organism

Exptl. method

Refine. method

DGSA-distance geometry simulated annealing, molecular dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 86.0 %, Completeness (bb): 99.3 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	86.0 % (1010 of 1175)	80.8 % (500 of 619)	89.8 % (403 of 449)	100.0 % (107 of 107)
Backbone	99.3 % (568 of 572)	98.0 % (193 of 197)	100.0 % (283 of 283)	100.0 % (92 of 92)
Sidechain	76.7 % (531 of 692)	72.7 % (307 of 422)	82.0 % (209 of 255)	100.0 % (15 of 15)
Aromatic	41.1 % (46 of 112)	41.1 % (23 of 56)	41.1 % (23 of 56)
Methyl	87.8 % (72 of 82)	87.8 % (36 of 41)	87.8 % (36 of 41)

1. entity

GSHMQKEGPE GANLFIYHLP QEFGDQDILQ MFMPFGNVIS AKVFIDKQTN LSKCFGFVSY DNPVSAQAAI QAMNGFQIGM KRLKVQLKRS KNDSKPY

Show sample condition

Sample #1

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 303 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	RRM3 intermediate state	[U-99% 13C; U-99% 15N]		1 mM
2	D2O	[U-100% 2H]		5 %
3	H2O	natural abundance		95 %
4	sodium chloride	natural abundance		50 mM
5	sodium phosphate	natural abundance		20 mM
6	urea	natural abundance		6 M

Sample #2

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 303 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
7	RRM3 intermediate state	[U-99% 15N]		1 mM
8	D2O	[U-100% 2H]		5 %
9	H2O	natural abundance		95 %
10	sodium chloride	natural abundance		50 mM
11	sodium phosphate	natural abundance		20 mM
12	urea	natural abundance		6 M

LACS Plot; CA

Referencing offset: 0.27 ppm, Outliers: 1 Detail

LACS Plot; CB

Referencing offset: 0.27 ppm, Outliers: 1 Detail

LACS Plot; HA

Referencing offset: 0.03 ppm, Outliers: 1 Detail

LACS Plot; CO

Referencing offset: 0.62 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2MY7, Strand ID: A Detail

Release date

2014-12-14

Citation

RRM3 intermediate state
Bhatt, H., Kaushik, A., Gupta, D., Bhavesh, N.
Not known

Related entities 1. RRM3 intermediate state, : 1 : 3 : 1 : 8 : 345 entities Detail

Interaction partners 1. RRM3 intermediate state, : 13 interactors Detail

More details for 13 interactors identified by 6 citations

Experiments performed 9 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker Avance - 500 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 303 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
7	RRM3 intermediate state	[U-99% 15N]		1 mM
8	D2O	[U-100% 2H]		5 %
9	H2O	natural abundance		95 %
10	sodium chloride	natural abundance		50 mM
11	sodium phosphate	natural abundance		20 mM
12	urea	natural abundance		6 M

2 2D 1H-13C HSQC aliphatic

Instrument

Bruker Avance - 500 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 303 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	RRM3 intermediate state	[U-99% 13C; U-99% 15N]		1 mM
2	D2O	[U-100% 2H]		5 %
3	H2O	natural abundance		95 %
4	sodium chloride	natural abundance		50 mM
5	sodium phosphate	natural abundance		20 mM
6	urea	natural abundance		6 M

3 2D 1H-13C HSQC aromatic

Instrument

Bruker Avance - 500 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 303 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	RRM3 intermediate state	[U-99% 13C; U-99% 15N]		1 mM
2	D2O	[U-100% 2H]		5 %
3	H2O	natural abundance		95 %
4	sodium chloride	natural abundance		50 mM
5	sodium phosphate	natural abundance		20 mM
6	urea	natural abundance		6 M

4 3D HNCA

Instrument

Bruker Avance - 700 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 303 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	RRM3 intermediate state	[U-99% 13C; U-99% 15N]		1 mM
2	D2O	[U-100% 2H]		5 %
3	H2O	natural abundance		95 %
4	sodium chloride	natural abundance		50 mM
5	sodium phosphate	natural abundance		20 mM
6	urea	natural abundance		6 M

5 3D HNCACB

Instrument

Bruker Avance - 700 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 303 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	RRM3 intermediate state	[U-99% 13C; U-99% 15N]		1 mM
2	D2O	[U-100% 2H]		5 %
3	H2O	natural abundance		95 %
4	sodium chloride	natural abundance		50 mM
5	sodium phosphate	natural abundance		20 mM
6	urea	natural abundance		6 M

6 3D 1H-15N NOESY

Instrument

Bruker Avance - 700 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 303 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	RRM3 intermediate state	[U-99% 13C; U-99% 15N]		1 mM
2	D2O	[U-100% 2H]		5 %
3	H2O	natural abundance		95 %
4	sodium chloride	natural abundance		50 mM
5	sodium phosphate	natural abundance		20 mM
6	urea	natural abundance		6 M

7 3D 1H-13C NOESY aliphatic

Instrument

Bruker Avance - 700 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 303 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	RRM3 intermediate state	[U-99% 13C; U-99% 15N]		1 mM
2	D2O	[U-100% 2H]		5 %
3	H2O	natural abundance		95 %
4	sodium chloride	natural abundance		50 mM
5	sodium phosphate	natural abundance		20 mM
6	urea	natural abundance		6 M

8 3D 1H-13C NOESY aromatic

Instrument

Bruker Avance - 700 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 303 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	RRM3 intermediate state	[U-99% 13C; U-99% 15N]		1 mM
2	D2O	[U-100% 2H]		5 %
3	H2O	natural abundance		95 %
4	sodium chloride	natural abundance		50 mM
5	sodium phosphate	natural abundance		20 mM
6	urea	natural abundance		6 M

9 3D HNCO

Instrument

Bruker Avance - 700 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 303 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	RRM3 intermediate state	[U-99% 13C; U-99% 15N]		1 mM
2	D2O	[U-100% 2H]		5 %
3	H2O	natural abundance		95 %
4	sodium chloride	natural abundance		50 mM
5	sodium phosphate	natural abundance		20 mM
6	urea	natural abundance		6 M

NMR combined restraints 4 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints	combined_19685_2my7.nef
Input source #2: Coordindates	2my7.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

----400-------410-------420-------430-------440-------450-------460-------470-------480-------490
GSHMQKEGPEGANLFIYHLPQEFGDQDILQMFMPFGNVISAKVFIDKQTNLSKCFGFVSYDNPVSAQAAIQAMNGFQIGMKRLKVQLKRSKNDSKPY
|||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
GSHMQKEGPEGANLFIYHLPQEFGDQDILQMFMPFGNVISAKVFIDKQTNLSKCFGFVSYDNPVSAQAAIQAMNGFQIGMKRLKVQLKRSKNDSKPY
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	97	0	0	100.0

Content subtype: combined_19685_2my7.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	993		100.0 (chain: A, length: 97)
1	Distance restraints	CNS/XPLOR_distance_constraints_2	Warning	2092 (1)	noe	99.0 (chain: A, length: 97)
1	Dihedral angle restraints	CNS/XPLOR_dihedral_3	OK	156 (156)	.	89.7 (chain: A, length: 97)

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 97, Sequence coverage: 100.0%
- Total number of assignments
  - ¹H chemical shifts: 490
  - ¹³C chemical shifts: 396
  - ¹⁵N chemical shifts: 107
- Completeness of assignments
  - Entity_assemble_ID: A
- Redox state of CYS
- Peptide bond of PRO
- 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: 97, Sequence coverage: 99.0%
- Total number of restraints: 2092
- Weight of restraints: 1.0 (2092)
- Potential type of restraints: square-well-parabolic (2092)
- Range of distance target values: 5.04, 5.5 (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: 97, Sequence coverage: 89.7%
- Total number of restraints: 156
- Total number of restraints per polymer type: 156
- Weight of restraints: 1.0 (156)
- Potential type of restraints: square-well-parabolic (156)
- Plot of Phi-Psi angle restraints
- Dihedral angle restraints per residue

Keywords ETR 3 RRM-3, Intermediate state, Protein folding