BMRBj - BMREntryMaster

Found 1 Document (0.612 seconds)

BMRB: 27519

6K2I

Solution NMR chemical shift assignments of nanobody Nb11 specific for aflatoxin B1

Authors

Yang, Y., Li, S., Nie, Y., He, T.

Assembly

Nb11

Entity

1. Nb11 (polymer, Thiol state: unknown), 131 monomers, 14461.95 Da Detail

MQLQLVESGG GLVQAGGSLR LSCVASGRTF RSNAMGWFRQ APGKEREFVA AIRWSGGSTY YADSVKGRFT ISRDNAKNTV YLQMNSLKPE DTAVYLCAAG VWRSSGWDTP DYWGQGTQVT VSSLEHHHHH H

Formula weight

14461.95 Da

Source organism

Exptl. method

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 94.7 %, Completeness: 79.1 %, Completeness (bb): 91.3 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	79.1 % (1163 of 1470)	77.9 % (589 of 756)	78.6 % (448 of 570)	87.5 % (126 of 144)
Backbone	91.3 % (712 of 780)	90.5 % (248 of 274)	92.6 % (350 of 378)	89.1 % (114 of 128)
Sidechain	69.0 % (556 of 806)	70.7 % (341 of 482)	65.9 % (203 of 308)	75.0 % (12 of 16)
Aromatic	2.4 % (4 of 164)	2.4 % (2 of 82)	1.3 % (1 of 77)	20.0 % (1 of 5)
Methyl	95.1 % (116 of 122)	96.7 % (59 of 61)	93.4 % (57 of 61)

1. Nb11

MQLQLVESGG GLVQAGGSLR LSCVASGRTF RSNAMGWFRQ APGKEREFVA AIRWSGGSTY YADSVKGRFT ISRDNAKNTV YLQMNSLKPE DTAVYLCAAG VWRSSGWDTP DYWGQGTQVT VSSLEHHHHH H

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
1	Nb11	[U-99% 13C; U-99% 15N]		0.6 mM
2	D2O	[U-100% 13C; U-100% 15N]		10% v/v
3	sodium chloride	[U-100% 13C; U-100% 15N]		100 mM
4	MES	[U-100% 13C; U-100% 15N]		20 mM

LACS Plot; CA

Referencing offset: -0.17 ppm, Outliers: 1 Detail

LACS Plot; CB

Referencing offset: -0.17 ppm, Outliers: 1 Detail

LACS Plot; HA

Referencing offset: -0.07 ppm, Outliers: 2 Detail

LACS Plot; CO

Referencing offset: 0.5 ppm, Outliers: 1 Detail

Release date

2018-06-12

Citation

Solution NMR chemical shift assignments of nanobody Nb11 specific for aflatoxin B1
yunhuang, Y., Shuangli, L., Ting, H., yao, N.
Structure

Related entities 1. Nb11, : 1 : 288 entities Detail

Experiments performed 14 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
1	Nb11	[U-99% 13C; U-99% 15N]		0.6 mM
2	D2O	[U-100% 13C; U-100% 15N]		10% v/v
3	sodium chloride	[U-100% 13C; U-100% 15N]		100 mM
4	MES	[U-100% 13C; U-100% 15N]		20 mM

2 2D 1H-13C HSQC aliphatic

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
1	Nb11	[U-99% 13C; U-99% 15N]		0.6 mM
2	D2O	[U-100% 13C; U-100% 15N]		10% v/v
3	sodium chloride	[U-100% 13C; U-100% 15N]		100 mM
4	MES	[U-100% 13C; U-100% 15N]		20 mM

3 2D 1H-13C HSQC aromatic

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
1	Nb11	[U-99% 13C; U-99% 15N]		0.6 mM
2	D2O	[U-100% 13C; U-100% 15N]		10% v/v
3	sodium chloride	[U-100% 13C; U-100% 15N]		100 mM
4	MES	[U-100% 13C; U-100% 15N]		20 mM

4 3D HNCO

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
1	Nb11	[U-99% 13C; U-99% 15N]		0.6 mM
2	D2O	[U-100% 13C; U-100% 15N]		10% v/v
3	sodium chloride	[U-100% 13C; U-100% 15N]		100 mM
4	MES	[U-100% 13C; U-100% 15N]		20 mM

5 3D HNCA

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
1	Nb11	[U-99% 13C; U-99% 15N]		0.6 mM
2	D2O	[U-100% 13C; U-100% 15N]		10% v/v
3	sodium chloride	[U-100% 13C; U-100% 15N]		100 mM
4	MES	[U-100% 13C; U-100% 15N]		20 mM

6 3D HNCACB

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
1	Nb11	[U-99% 13C; U-99% 15N]		0.6 mM
2	D2O	[U-100% 13C; U-100% 15N]		10% v/v
3	sodium chloride	[U-100% 13C; U-100% 15N]		100 mM
4	MES	[U-100% 13C; U-100% 15N]		20 mM

7 3D HN(CO)CA

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
1	Nb11	[U-99% 13C; U-99% 15N]		0.6 mM
2	D2O	[U-100% 13C; U-100% 15N]		10% v/v
3	sodium chloride	[U-100% 13C; U-100% 15N]		100 mM
4	MES	[U-100% 13C; U-100% 15N]		20 mM

8 3D CBCA(CO)NH

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
1	Nb11	[U-99% 13C; U-99% 15N]		0.6 mM
2	D2O	[U-100% 13C; U-100% 15N]		10% v/v
3	sodium chloride	[U-100% 13C; U-100% 15N]		100 mM
4	MES	[U-100% 13C; U-100% 15N]		20 mM

9 3D HBHA(CO)NH

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
1	Nb11	[U-99% 13C; U-99% 15N]		0.6 mM
2	D2O	[U-100% 13C; U-100% 15N]		10% v/v
3	sodium chloride	[U-100% 13C; U-100% 15N]		100 mM
4	MES	[U-100% 13C; U-100% 15N]		20 mM

10 3D HCCH-TOCSY

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
1	Nb11	[U-99% 13C; U-99% 15N]		0.6 mM
2	D2O	[U-100% 13C; U-100% 15N]		10% v/v
3	sodium chloride	[U-100% 13C; U-100% 15N]		100 mM
4	MES	[U-100% 13C; U-100% 15N]		20 mM

11 3D C(CO)NH

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
1	Nb11	[U-99% 13C; U-99% 15N]		0.6 mM
2	D2O	[U-100% 13C; U-100% 15N]		10% v/v
3	sodium chloride	[U-100% 13C; U-100% 15N]		100 mM
4	MES	[U-100% 13C; U-100% 15N]		20 mM

12 3D 1H-15N NOESY

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
1	Nb11	[U-99% 13C; U-99% 15N]		0.6 mM
2	D2O	[U-100% 13C; U-100% 15N]		10% v/v
3	sodium chloride	[U-100% 13C; U-100% 15N]		100 mM
4	MES	[U-100% 13C; U-100% 15N]		20 mM

13 3D 1H-13C NOESY aliphatic

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
1	Nb11	[U-99% 13C; U-99% 15N]		0.6 mM
2	D2O	[U-100% 13C; U-100% 15N]		10% v/v
3	sodium chloride	[U-100% 13C; U-100% 15N]		100 mM
4	MES	[U-100% 13C; U-100% 15N]		20 mM

14 3D 1H-13C NOESY aromatic

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
1	Nb11	[U-99% 13C; U-99% 15N]		0.6 mM
2	D2O	[U-100% 13C; U-100% 15N]		10% v/v
3	sodium chloride	[U-100% 13C; U-100% 15N]		100 mM
4	MES	[U-100% 13C; U-100% 15N]		20 mM

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr27519_3.str
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

Content subtype: bmr27519_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	1281		94.7 (chain: 1, length: 131)
1	Chemical shift references	chemical_shift_reference_1	OK	3		No information

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 131, Sequence coverage: 94.7%
- Total number of assignments
  - ¹H chemical shifts: 707
  - ¹³C chemical shifts: 448
  - ¹⁵N chemical shifts: 126
- Completeness of assignments
  - Entity_assemble_ID: 1
- 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: 1