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BMRB: 30469

6DG1

NMR structure of the second qRRM2 domain of human hnRNP H

Authors

Srinivasa, R.P.

Assembly

qRRM2 domain of Heterogeneous nuclear ribonucleoprotein H2

Entity

1. qRRM2 domain of Heterogeneous nuclear ribonucleoprotein H2 (polymer), 105 monomers, 11773.17 Da Detail

SNAMDWVLKH TGPNSPDTAN DGFVRLRGLP FGCSKEEIVQ FFSGLEIVPN GITLPVDFQG RSTGEAFVQF ASQEIAEKAL KKHKERIGHR YIEIFKSSRA EVRTH

Formula weight

11773.17 Da

Source organism

Exptl. method

Data set

assigned_chemical_shifts, spectral_peak_list

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 81.1 %, Completeness (bb): 94.5 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	81.1 % (1001 of 1235)	81.7 % (527 of 645)	78.4 % (377 of 481)	89.0 % (97 of 109)
Backbone	94.5 % (586 of 620)	97.2 % (208 of 214)	91.8 % (281 of 306)	97.0 % (97 of 100)
Sidechain	70.3 % (500 of 711)	72.4 % (312 of 431)	69.4 % (188 of 271)	0.0 % (0 of 9)
Aromatic	1.7 % (2 of 116)	3.4 % (2 of 58)	0.0 % (0 of 57)	0.0 % (0 of 1)
Methyl	88.5 % (92 of 104)	84.6 % (44 of 52)	92.3 % (48 of 52)

1. qRRM2 domain of Heterogeneous nuclear ribonucleoprotein H2

SNAMDWVLKH TGPNSPDTAN DGFVRLRGLP FGCSKEEIVQ FFSGLEIVPN GITLPVDFQG RSTGEAFVQF ASQEIAEKAL KKHKERIGHR YIEIFKSSRA EVRTH

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 760 mmHg, Temperature 305 K, pH 6.2, Details 1.5 mM C13_N15 qRRM2 domain of hnRNP H, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	qRRM2 domain of hnRNP H	C13_N15		1.5 (±0.1) mM

LACS Plot; CA

Referencing offset: 2.17 ppm, Outliers: 2 Detail

LACS Plot; CB

Referencing offset: 2.17 ppm, Outliers: 2 Detail

LACS Plot; HA

Referencing offset: 0.18 ppm, Outliers: 1 Detail

LACS Plot; CO

Referencing offset: 3.82 ppm, Outliers: 2 Detail

Release date

2018-06-03

Citation

Differential Conformational Dynamics Encoded by the Inter-qRRM linker of hnRNP H
Penumutchu, S.R., Chiu, L.Y., Meagher, J.L., Hansen, A.L., Stuckey, J.A., Tolbert, B.S.
J. Am. Chem. Soc. (2018), 140, 11661-11673, PubMed 30122033 , DOI 10.1021/jacs.8b05366 , Abstract

Related entities 1. qRRM2 domain of Heterogeneous nuclear ribonucleoprotein H2, : 1 : 5 : 113 entities Detail

Interaction partners 1. qRRM2 domain of Heterogeneous nuclear ribonucleoprotein H2, : 19 interactors Detail

More details for 19 interactors identified by 9 citations

Experiments performed 12 experiments Detail

1 1H-15N HSQC

Instrument

Bruker AvanceIII - 900 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 760 mmHg, Temperature 305 K, pH 6.2, Details 1.5 mM C13_N15 qRRM2 domain of hnRNP H, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	qRRM2 domain of hnRNP H	C13_N15		1.5 (±0.1) mM

2 HNCA

Instrument

Bruker AvanceIII - 900 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 760 mmHg, Temperature 305 K, pH 6.2, Details 1.5 mM C13_N15 qRRM2 domain of hnRNP H, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	qRRM2 domain of hnRNP H	C13_N15		1.5 (±0.1) mM

3 HN(CO)CA

Instrument

Bruker AvanceIII - 900 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 760 mmHg, Temperature 305 K, pH 6.2, Details 1.5 mM C13_N15 qRRM2 domain of hnRNP H, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	qRRM2 domain of hnRNP H	C13_N15		1.5 (±0.1) mM

4 HNCACB

Instrument

Bruker AvanceIII - 900 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 760 mmHg, Temperature 305 K, pH 6.2, Details 1.5 mM C13_N15 qRRM2 domain of hnRNP H, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	qRRM2 domain of hnRNP H	C13_N15		1.5 (±0.1) mM

5 CBCA(CO)NH

Instrument

Bruker AvanceIII - 900 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 760 mmHg, Temperature 305 K, pH 6.2, Details 1.5 mM C13_N15 qRRM2 domain of hnRNP H, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	qRRM2 domain of hnRNP H	C13_N15		1.5 (±0.1) mM

6 HNCO

Instrument

Bruker AvanceIII - 900 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 760 mmHg, Temperature 305 K, pH 6.2, Details 1.5 mM C13_N15 qRRM2 domain of hnRNP H, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	qRRM2 domain of hnRNP H	C13_N15		1.5 (±0.1) mM

7 HN(CA)CO

Instrument

Bruker AvanceIII - 900 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 760 mmHg, Temperature 305 K, pH 6.2, Details 1.5 mM C13_N15 qRRM2 domain of hnRNP H, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	qRRM2 domain of hnRNP H	C13_N15		1.5 (±0.1) mM

8 HBHA(CO)NH

Instrument

Bruker AvanceIII - 900 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 760 mmHg, Temperature 305 K, pH 6.2, Details 1.5 mM C13_N15 qRRM2 domain of hnRNP H, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	qRRM2 domain of hnRNP H	C13_N15		1.5 (±0.1) mM

9 (H)CCCH-TOCSY

Instrument

Bruker AvanceIII - 900 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 760 mmHg, Temperature 305 K, pH 6.2, Details 1.5 mM C13_N15 qRRM2 domain of hnRNP H, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	qRRM2 domain of hnRNP H	C13_N15		1.5 (±0.1) mM

10 H(C)CCH-TOCSY

Instrument

Bruker AvanceIII - 900 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 760 mmHg, Temperature 305 K, pH 6.2, Details 1.5 mM C13_N15 qRRM2 domain of hnRNP H, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	qRRM2 domain of hnRNP H	C13_N15		1.5 (±0.1) mM

11 3D NOESY-(13C-1H)-HSQC

Instrument

Bruker AvanceIII - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 760 mmHg, Temperature 305 K, pH 6.2, Details 1.5 mM C13_N15 qRRM2 domain of hnRNP H, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	qRRM2 domain of hnRNP H	C13_N15		1.5 (±0.1) mM

12 3D NOESY-(15N-1H)-HSQC

Instrument

Bruker AvanceIII - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 760 mmHg, Temperature 305 K, pH 6.2, Details 1.5 mM C13_N15 qRRM2 domain of hnRNP H, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	qRRM2 domain of hnRNP H	C13_N15		1.5 (±0.1) mM

NMR combined restraints 4 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints	combined_30469_6dg1.nef
Input source #2: Coordindates	6dg1.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

90------100-------110-------120-------130-------140-------150-------160-------170-------180-------19
SNAMDWVLKHTGPNSPDTANDGFVRLRGLPFGCSKEEIVQFFSGLEIVPNGITLPVDFQGRSTGEAFVQFASQEIAEKALKKHKERIGHRYIEIFKSSRA
||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
SNAMDWVLKHTGPNSPDTANDGFVRLRGLPFGCSKEEIVQFFSGLEIVPNGITLPVDFQGRSTGEAFVQFASQEIAEKALKKHKERIGHRYIEIFKSSRA
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100

0----
EVRTH
|||||
EVRTH
-----

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	105	0	0	100.0

Content subtype: combined_30469_6dg1.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_1	Warning	998		100.0 (chain: A, length: 105)
1	Distance restraints	CNS/XPLOR_distance_constraints_3	Warning	57 (1)	hbond	40.0 (chain: A, length: 105)
1	Dihedral angle restraints	CNS/XPLOR_dihedral_4	OK	142 (142)	.	82.9 (chain: A, length: 105)

Assigned chemical shifts

Saveframe: assigned_chemical_shifts_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 105, Sequence coverage: 100.0%
- Total number of assignments
  - ¹H chemical shifts: 521
  - ¹³C chemical shifts: 380
  - ¹⁵N chemical shifts: 97
- Completeness of assignments
  - Entity_assemble_ID: A
- Redox state of CYS
- 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_3
- Status: Warning
- Experiment type: hbond
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 105, Sequence coverage: 40.0%
- Total number of restraints: 57
- Weight of restraints: 1.0 (57)
- Potential type of restraints: square-well-parabolic (57)
- Range of distance target values: 1.9, 3.0 (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: 105, Sequence coverage: 82.9%
- Total number of restraints: 142
- Total number of restraints per polymer type: 142
- Weight of restraints: 1.0 (142)
- Potential type of restraints: square-well-parabolic (142)
- Plot of Phi-Psi angle restraints
- Dihedral angle restraints per residue
  - Chain_ID: A

Keywords Heterogeneous nuclear ribonucleoprotein H, HqRRM2, RNA BINDING PROTEIN, hnRNP H, qRRM2