BMRBj - BMREntryMaster

	Total	¹H	¹³C	¹⁵N
All	91.4 % (489 of 535)	92.9 % (263 of 283)	88.8 % (183 of 206)	93.5 % (43 of 46)
Backbone	93.5 % (245 of 262)	96.7 % (87 of 90)	91.6 % (120 of 131)	92.7 % (38 of 41)
Sidechain	90.1 % (283 of 314)	91.2 % (176 of 193)	87.9 % (102 of 116)	100.0 % (5 of 5)
Aromatic	95.0 % (38 of 40)	100.0 % (20 of 20)	89.5 % (17 of 19)	100.0 % (1 of 1)
Methyl	92.9 % (39 of 42)	90.5 % (19 of 21)	95.2 % (20 of 21)

1. CTD-StpA

RQPRPAKYKF TDVNGETKTW TGQGRTPKPI AQALAEGKSL DDFLI

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	CTD-StpA	[U-99% 13C; U-99% 15N]		1 mM

LACS Plot; CA

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

Referencing offset: 0.19 ppm, Outliers: 1 Detail

LACS Plot; CB

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

Referencing offset: 0.19 ppm, Outliers: 1 Detail

LACS Plot; HA

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

Referencing offset: -0.18 ppm, Outliers: 1 Detail

LACS Plot; CO

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

Referencing offset: -0.89 ppm, Outliers: 3 Detail

Protein Blocks Logo

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

Release date

2012-05-30

Citation

Chaperones modulate RNA structural dynamics through anti-folding
Fuertig, B., Doetsch, M., Stampfl, S., Kontaxis, G., Schroeder, R.
Not known

Related entities 1. CTD-StpA, : 1 : 2 : 17 entities Detail

Experiments performed 8 experiments Detail

NMR combined restraints 4 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints	combined_18400_2lrx.nef
Input source #2: Coordindates	2lrx.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-----
RQPRPAKYKFTDVNGETKTWTGQGRTPKPIAQALAEGKSLDDFLI
|||||||||||||||||||||||||||||||||||||||||||||
RQPRPAKYKFTDVNGETKTWTGQGRTPKPIAQALAEGKSLDDFLI

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	45	0	0	100.0

Content subtype: combined_18400_2lrx.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	496		100.0 (chain: A, length: 45)
1	Distance restraints	CNS/XPLOR_distance_constraints_2	Warning	1170 (1)	noe	100.0 (chain: A, length: 45)
1	Dihedral angle restraints	CNS/XPLOR_dihedral_3	OK	77 (77)	.	97.8 (chain: A, length: 45)

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 45, Sequence coverage: 100.0%
- Total number of assignments
  - ¹H chemical shifts: 271
  - ¹³C chemical shifts: 182
  - ¹⁵N chemical shifts: 43
- 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

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	283	269	95.1
¹³C chemical shifts	206	182	88.3
¹⁵N chemical shifts	49	43	87.8

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	90	89	98.9
¹³C chemical shifts	90	80	88.9
¹⁵N chemical shifts	41	38	92.7

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	193	180	93.3
¹³C chemical shifts	116	102	87.9
¹⁵N chemical shifts	8	5	62.5

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	21	20	95.2
¹³C chemical shifts	21	20	95.2

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	20	20	100.0
¹³C chemical shifts	19	17	89.5
¹⁵N chemical shifts	1	1	100.0

Distance restraints

Saveframe: CNS/XPLOR_distance_constraints_2
- Status: Warning
- Experiment type: noe
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 45, Sequence coverage: 100.0%
- Total number of restraints: 1166
- Weight of restraints: 1.0 (1166)
- Potential type of restraints: square-well-parabolic (1166)
- Range of distance target values: 2.9, 4.15 (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

Dihedral angle restraints

Saveframe: CNS/XPLOR_dihedral_3
- Status: OK
- Experiment type: .
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 45, Sequence coverage: 97.8%
- Total number of restraints: 77
- Total number of restraints per polymer type: 77
- Weight of restraints: 1.0 (77)
- Potential type of restraints: square-well-parabolic (77)
- Plot of Phi-Psi angle restraints
- Dihedral angle restraints per residue
  - Chain_ID: A

Keywords RNA chaperone, StpA

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BMRB: 18400

Sample

Chemical shift reference

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. CTD-StpA, : 1 : 2 : 17 entities Detail

Experiments performed 8 experiments Detail

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NMR combined restraints 4 contents Detail