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Found 1 Document (6.971 seconds)

BMRB: 15343

2JRS

Solution NMR Structure of CAPER RRM2 Domain. Northeast Structural Genomics Target HR4730A.

Authors

Rossi, P., Zhao, L., Nwosu, C., Cunningham, K., Owens, L., Xiao, R., Liu, J., Baran, M.C., Swapna, G., Acton, T.B., Rost, B., Montelione, G.T.

Assembly

HR4730A

Entity

1. HR4730A (polymer, Thiol state: all free), 108 monomers, 12041.56 Da Detail

MGHHHHHHSH MAAAMANNLQ KGSAGPMRLY VGSLHFNITE DMLRGIFEPF GRIESIQLMM DSETGRSKGY GFITFSDSEC AKKALEQLNG FELAGRPMKV GHVTERTD

Formula weight

12041.56 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts, spectral_peak_list

Chem. Shift Complete

Sequence coverage: 93.5 %, Completeness: 90.9 %, Completeness (bb): 91.7 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	90.9 % (1117 of 1229)	91.1 % (582 of 639)	90.4 % (432 of 478)	92.0 % (103 of 112)
Backbone	91.7 % (589 of 642)	92.0 % (207 of 225)	91.7 % (286 of 312)	91.4 % (96 of 105)
Sidechain	90.3 % (617 of 683)	90.6 % (375 of 414)	89.7 % (235 of 262)	100.0 % (7 of 7)
Aromatic	73.2 % (82 of 112)	73.2 % (41 of 56)	73.2 % (41 of 56)
Methyl	100.0 % (90 of 90)	100.0 % (45 of 45)	100.0 % (45 of 45)

1. HR4730A

MGHHHHHHSH MAAAMANNLQ KGSAGPMRLY VGSLHFNITE DMLRGIFEPF GRIESIQLMM DSETGRSKGY GFITFSDSEC AKKALEQLNG FELAGRPMKV GHVTERTD

Show sample condition

Sample #1

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 K, pH 6.5, Details HR4730A.003

#	Name	Isotope labeling	Concentration
1	HR4730A	[U-100% 13C; U-100% 15N]	1.3 mM
2	sodium azide	natural abundance	0.02 %
3	MES	natural abundance	20 mM
4	sodium chloride	natural abundance	100 mM
5	Calcium Chloride	natural abundance	5 mM
6	DTT	natural abundance	10 mM

Sample #2

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 K, pH 6.5, Details HR4730A.012

#	Name	Isotope labeling	Concentration
7	HR4730A	[U-5% 13C; U-100% 15N]	1.1 mM
8	sodium azide	natural abundance	0.02 %
9	MES	natural abundance	20 mM
10	sodium chloride	natural abundance	100 mM
11	Calcium Chloride	natural abundance	5 mM
12	DTT	natural abundance	10 mM

LACS Plot; CA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	null	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291

Referencing offset: -0.18 ppm, Outliers: 1 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	null	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291

Referencing offset: -0.18 ppm, Outliers: 1 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	null	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291

Referencing offset: 0.03 ppm, Outliers: 1 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	null	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291

Referencing offset: 0.06 ppm, Outliers: 2 Detail

Protein Blocks Logo

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

Release date

2007-08-06

Citation

Solution NMR Structure of CAPER RRM2 Domain. Northeast Structural Genomics Target HR4730A
Rossi, P., Xiao, R., Acton, T.B., Montelione, G.T.
Not known

Related entities 1. HR4730A, : 1 : 1 : 97 entities Detail

Interaction partners 1. HR4730A, : 126 interactors Detail

More details for 126 interactors identified by 25 citations

Experiments performed 13 experiments Detail

1 3D 1H-15N NOESY

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 K, pH 6.5, Details HR4730A.003

#	Name	Isotope labeling	Concentration
1	HR4730A	[U-100% 13C; U-100% 15N]	1.3 mM
2	sodium azide	natural abundance	0.02 %
3	MES	natural abundance	20 mM
4	sodium chloride	natural abundance	100 mM
5	Calcium Chloride	natural abundance	5 mM
6	DTT	natural abundance	10 mM

2 3D 1H-13C NOESY

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 K, pH 6.5, Details HR4730A.003

#	Name	Isotope labeling	Concentration
1	HR4730A	[U-100% 13C; U-100% 15N]	1.3 mM
2	sodium azide	natural abundance	0.02 %
3	MES	natural abundance	20 mM
4	sodium chloride	natural abundance	100 mM
5	Calcium Chloride	natural abundance	5 mM
6	DTT	natural abundance	10 mM

3 2D 1H-13C HSQC

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 K, pH 6.5, Details HR4730A.003

#	Name	Isotope labeling	Concentration
1	HR4730A	[U-100% 13C; U-100% 15N]	1.3 mM
2	sodium azide	natural abundance	0.02 %
3	MES	natural abundance	20 mM
4	sodium chloride	natural abundance	100 mM
5	Calcium Chloride	natural abundance	5 mM
6	DTT	natural abundance	10 mM

4 2D 1H-15N HSQC

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 K, pH 6.5, Details HR4730A.003

#	Name	Isotope labeling	Concentration
1	HR4730A	[U-100% 13C; U-100% 15N]	1.3 mM
2	sodium azide	natural abundance	0.02 %
3	MES	natural abundance	20 mM
4	sodium chloride	natural abundance	100 mM
5	Calcium Chloride	natural abundance	5 mM
6	DTT	natural abundance	10 mM

5 2D 1H-13C HSQC stereospecific methyl

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 K, pH 6.5, Details HR4730A.012

#	Name	Isotope labeling	Concentration
7	HR4730A	[U-5% 13C; U-100% 15N]	1.1 mM
8	sodium azide	natural abundance	0.02 %
9	MES	natural abundance	20 mM
10	sodium chloride	natural abundance	100 mM
11	Calcium Chloride	natural abundance	5 mM
12	DTT	natural abundance	10 mM

6 HETnoe

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 K, pH 6.5, Details HR4730A.012

#	Name	Isotope labeling	Concentration
7	HR4730A	[U-5% 13C; U-100% 15N]	1.1 mM
8	sodium azide	natural abundance	0.02 %
9	MES	natural abundance	20 mM
10	sodium chloride	natural abundance	100 mM
11	Calcium Chloride	natural abundance	5 mM
12	DTT	natural abundance	10 mM

7 3D HNCACB

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 K, pH 6.5, Details HR4730A.003

#	Name	Isotope labeling	Concentration
1	HR4730A	[U-100% 13C; U-100% 15N]	1.3 mM
2	sodium azide	natural abundance	0.02 %
3	MES	natural abundance	20 mM
4	sodium chloride	natural abundance	100 mM
5	Calcium Chloride	natural abundance	5 mM
6	DTT	natural abundance	10 mM

8 3D HNCOCACB

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 K, pH 6.5, Details HR4730A.003

#	Name	Isotope labeling	Concentration
1	HR4730A	[U-100% 13C; U-100% 15N]	1.3 mM
2	sodium azide	natural abundance	0.02 %
3	MES	natural abundance	20 mM
4	sodium chloride	natural abundance	100 mM
5	Calcium Chloride	natural abundance	5 mM
6	DTT	natural abundance	10 mM

9 3D HNCO

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 K, pH 6.5, Details HR4730A.003

#	Name	Isotope labeling	Concentration
1	HR4730A	[U-100% 13C; U-100% 15N]	1.3 mM
2	sodium azide	natural abundance	0.02 %
3	MES	natural abundance	20 mM
4	sodium chloride	natural abundance	100 mM
5	Calcium Chloride	natural abundance	5 mM
6	DTT	natural abundance	10 mM

10 3D HBHA(CO)NH

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 K, pH 6.5, Details HR4730A.003

#	Name	Isotope labeling	Concentration
1	HR4730A	[U-100% 13C; U-100% 15N]	1.3 mM
2	sodium azide	natural abundance	0.02 %
3	MES	natural abundance	20 mM
4	sodium chloride	natural abundance	100 mM
5	Calcium Chloride	natural abundance	5 mM
6	DTT	natural abundance	10 mM

11 3D HCCH-TOCSY

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 K, pH 6.5, Details HR4730A.003

#	Name	Isotope labeling	Concentration
1	HR4730A	[U-100% 13C; U-100% 15N]	1.3 mM
2	sodium azide	natural abundance	0.02 %
3	MES	natural abundance	20 mM
4	sodium chloride	natural abundance	100 mM
5	Calcium Chloride	natural abundance	5 mM
6	DTT	natural abundance	10 mM

12 3D HCCH-COSY

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 K, pH 6.5, Details HR4730A.003

#	Name	Isotope labeling	Concentration
1	HR4730A	[U-100% 13C; U-100% 15N]	1.3 mM
2	sodium azide	natural abundance	0.02 %
3	MES	natural abundance	20 mM
4	sodium chloride	natural abundance	100 mM
5	Calcium Chloride	natural abundance	5 mM
6	DTT	natural abundance	10 mM

13 3D CCH-TOCSY

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 K, pH 6.5, Details HR4730A.003

#	Name	Isotope labeling	Concentration
1	HR4730A	[U-100% 13C; U-100% 15N]	1.3 mM
2	sodium azide	natural abundance	0.02 %
3	MES	natural abundance	20 mM
4	sodium chloride	natural abundance	100 mM
5	Calcium Chloride	natural abundance	5 mM
6	DTT	natural abundance	10 mM

NMR combined restraints 5 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints	combined_15343_2jrs.nef
Input source #2: Coordindates	2jrs.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--------70--------80--------90-------100
MGHHHHHHSHMAAAMANNLQKGSAGPMRLYVGSLHFNITEDMLRGIFEPFGRIESIQLMMDSETGRSKGYGFITFSDSECAKKALEQLNGFELAGRPMKV
||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
MGHHHHHHSHMAAAMANNLQKGSAGPMRLYVGSLHFNITEDMLRGIFEPFGRIESIQLMMDSETGRSKGYGFITFSDSECAKKALEQLNGFELAGRPMKV

--------
GHVTERTD
||||||||
GHVTERTD

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	108	0	0	100.0

Content subtype: combined_15343_2jrs.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	1116		92.6 (chain: A, length: 108)
1	Distance restraints	CNS/XPLOR_distance_constraints_2	OK	1690 (1)	noe	87.0 (chain: A, length: 108)
2	Distance restraints	CNS/XPLOR_distance_constraints_4	OK	44 (1)	hbond	32.4 (chain: A, length: 108)
1	Dihedral angle restraints	CNS/XPLOR_dihedral_3	OK	84 (84)	.	51.9 (chain: A, length: 108)

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 108, Sequence coverage: 92.6%
- Total number of assignments
  - ¹H chemical shifts: 582
  - ¹³C chemical shifts: 430
  - ¹⁵N chemical shifts: 104
- 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

Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
39	THR	HG1	5.894

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	639	581	90.9
¹³C chemical shifts	478	430	90.0
¹⁵N chemical shifts	118	104	88.1

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	225	206	91.6
¹³C chemical shifts	216	195	90.3
¹⁵N chemical shifts	105	95	90.5

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	414	375	90.6
¹³C chemical shifts	262	235	89.7
¹⁵N chemical shifts	13	9	69.2

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	53	49	92.5
¹³C chemical shifts	53	49	92.5

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	56	41	73.2
¹³C chemical shifts	56	41	73.2

Distance restraints

Saveframe: CNS/XPLOR_distance_constraints_2
- Status: OK
- Experiment type: noe
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 108, Sequence coverage: 87.0%
- Total number of restraints: 1688
- Weight of restraints: 1.0 (1688)
- Potential type of restraints: square-well-parabolic (1688)
- Range of distance target values: 2.35, 3.4 (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: 108, Sequence coverage: 32.4%
  - Total number of restraints: 44
  - Weight of restraints: 1.0 (44)
  - Potential type of restraints: square-well-parabolic (44)
  - 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: 108, Sequence coverage: 51.9%
- Total number of restraints: 84
- Total number of restraints per polymer type: 84
- Weight of restraints: 1.0 (84)
- Potential type of restraints: square-well-parabolic (84)
- Plot of Phi-Psi angle restraints
- Dihedral angle restraints per residue
  - Chain_ID: A

Keywords CAPER, NESG HR4730A, RMB39_HUMAN, RRM2, Solution NMR

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Found 1 Document (6.971 seconds)

BMRB: 15343

Sample #1

Sample #2

Chemical shift reference

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. HR4730A, : 1 : 1 : 97 entities Detail

Interaction partners 1. HR4730A, : 126 interactors Detail

Experiments performed 13 experiments Detail

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NMR combined restraints 5 contents Detail