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Found 1 Document (0.404 seconds)

BMRB: 34572

7AVA

Solution structure of the fluorogen-activating protein FAST in complex with the ligand N871b

Authors

Mineev, K.S., Goncharuk, S.A., Baranov, M.S.

Assembly

FAST

Entity

1. FAST, entity 1 (polymer, Thiol state: not present), 138 monomers, 15225.97 Da Detail

MEHVAFGSED IENTLAKMDD GQLDGLAFGA IQLDGDGNIL QYNAAEGDIT GRDPKQVIGK NFFKDVAPGT DSPEFYGKFK EGVASGNLNT MFEWMIPTSR GPTKVKVHMK KALSGDSYWV FVKRVKLAAA LEHHHHHH

2. FAST, entity S1Q (non-polymer), 335.357 Da

Total weight

15561.327 Da

Max. entity weight

15225.97 Da

Source organism

synthetic construct

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 97.8 %, Completeness: 94.9 %, Completeness (bb): 97.1 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	94.9 % (1507 of 1588)	96.2 % (789 of 820)	93.1 % (577 of 620)	95.3 % (141 of 148)
Backbone	97.1 % (794 of 818)	96.5 % (276 of 286)	97.7 % (390 of 399)	96.2 % (128 of 133)
Sidechain	93.3 % (833 of 893)	96.1 % (513 of 534)	89.2 % (307 of 344)	86.7 % (13 of 15)
Aromatic	71.2 % (114 of 160)	85.0 % (68 of 80)	56.4 % (44 of 78)	100.0 % (2 of 2)
Methyl	100.0 % (132 of 132)	100.0 % (66 of 66)	100.0 % (66 of 66)

1. entity 1

MEHVAFGSED IENTLAKMDD GQLDGLAFGA IQLDGDGNIL QYNAAEGDIT GRDPKQVIGK NFFKDVAPGT DSPEFYGKFK EGVASGNLNT MFEWMIPTSR GPTKVKVHMK KALSGDSYWV FVKRVKLAAA LEHHHHHH

Show sample condition

Sample

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0, Details 0.85 mM [U-13C; U-15N] FAST, 0.90 mM N87, 20 mM sodium phosphate, 20 mM sodium chloride, 0.01 % sodium azide, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
1	FAST	[U-13C; U-15N]	0.85 (±0.05) mM
2	N87	natural abundance	0.90 (±0.01) mM
3	sodium phosphate	natural abundance	20 mM
4	sodium chloride	natural abundance	20 mM
5	sodium azide	natural abundance	0.01 %

Release date

2021-04-19

Citation

NanoFAST: structure-based design of a small fluorogen-activating protein with only 98 amino acids
Mineev, K.S., Goncharuk, S.A., Goncharuk, M.V., Povarova, N.V., Sokolov, A.I., Baleeva, N.S., Smirnov, A.Y., Myasnyanko, I.N., Ruchkin, D.A., Bukhdruker, S., Remeeva, A., Mishin, A., Borshchevskiy, V., Gordeliy, V., Arseniev, A.S., Gorbachev, D.A., Gavrikov, A.S., Mishin, A.S., Baranov, M.S.
Chem. Sci. (2021), 12, 6719-6725, PubMed 34040747 , DOI 10.1039/d1sc01454d , Abstract

Related entities 1. FAST, entity 1, : 1 : 2 : 1 : 100 entities Detail

Experiments performed 8 experiments Detail

1 3D 1H-13C NOESY aromatic

Instrument

Bruker AVANCE III - 800 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0, Details 0.85 mM [U-13C; U-15N] FAST, 0.90 mM N87, 20 mM sodium phosphate, 20 mM sodium chloride, 0.01 % sodium azide, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
1	FAST	[U-13C; U-15N]	0.85 (±0.05) mM
2	N87	natural abundance	0.90 (±0.01) mM
3	sodium phosphate	natural abundance	20 mM
4	sodium chloride	natural abundance	20 mM
5	sodium azide	natural abundance	0.01 %

2 3D 1H-13C NOESY aromatic

Instrument

Bruker AVANCE III - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
1	FAST	[U-13C; U-15N]	0.85 (±0.05) mM
2	N87	natural abundance	0.90 (±0.01) mM
3	sodium phosphate	natural abundance	20 mM
4	sodium chloride	natural abundance	20 mM
5	sodium azide	natural abundance	0.01 %

3 3D 1H-15N NOESY

Instrument

Bruker AVANCE III - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
1	FAST	[U-13C; U-15N]	0.85 (±0.05) mM
2	N87	natural abundance	0.90 (±0.01) mM
3	sodium phosphate	natural abundance	20 mM
4	sodium chloride	natural abundance	20 mM
5	sodium azide	natural abundance	0.01 %

4 3D HCCH-TOCSY

Instrument

Bruker AVANCE III - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
1	FAST	[U-13C; U-15N]	0.85 (±0.05) mM
2	N87	natural abundance	0.90 (±0.01) mM
3	sodium phosphate	natural abundance	20 mM
4	sodium chloride	natural abundance	20 mM
5	sodium azide	natural abundance	0.01 %

5 3D HNCO

Instrument

Bruker AVANCE III - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
1	FAST	[U-13C; U-15N]	0.85 (±0.05) mM
2	N87	natural abundance	0.90 (±0.01) mM
3	sodium phosphate	natural abundance	20 mM
4	sodium chloride	natural abundance	20 mM
5	sodium azide	natural abundance	0.01 %

6 3D HNCACB

Instrument

Bruker AVANCE III - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
1	FAST	[U-13C; U-15N]	0.85 (±0.05) mM
2	N87	natural abundance	0.90 (±0.01) mM
3	sodium phosphate	natural abundance	20 mM
4	sodium chloride	natural abundance	20 mM
5	sodium azide	natural abundance	0.01 %

7 3D HCCH-TOCSY

Instrument

Bruker AVANCE III - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
1	FAST	[U-13C; U-15N]	0.85 (±0.05) mM
2	N87	natural abundance	0.90 (±0.01) mM
3	sodium phosphate	natural abundance	20 mM
4	sodium chloride	natural abundance	20 mM
5	sodium azide	natural abundance	0.01 %

8 3D HCCH-COSY

Instrument

Bruker AVANCE III - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
1	FAST	[U-13C; U-15N]	0.85 (±0.05) mM
2	N87	natural abundance	0.90 (±0.01) mM
3	sodium phosphate	natural abundance	20 mM
4	sodium chloride	natural abundance	20 mM
5	sodium azide	natural abundance	0.01 %

Chemical shift validation 4 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr34572_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

Chain_ID	Seq_ID	Comp_ID	Chem_comp_name	Experimental evidences
2	1	S1Q	(5~{Z})-5-[(2-methoxy-4-oxidanyl-phenyl)methylidene]-3-methyl-2-[(~{E})-2-pyridin-4-ylethenyl]imidazol-4-one	Assigned chemical shifts

Content subtype: bmr34572_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_1	Warning	1669		97.8 (chain: 1, length: 138), 100.0 (chain: 2, length: 1)
1	Chemical shift references	chem_shift_reference_1	OK	3		No information

Assigned chemical shifts

Saveframe: assigned_chemical_shifts_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 138, Sequence coverage: 97.8%
  - Entity_assembly_ID: 2, Chain length: 1, Sequence coverage: 100.0%
- Total number of assignments
  - ¹H chemical shifts: 954
  - ¹³C chemical shifts: 576
  - ¹⁵N chemical shifts: 139
- Completeness of assignments
  - Entity_assemble_ID: 1
  - Entity_assemble_ID: 2
- 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: 1

Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
8	SER	HG	4.789
50	THR	HG1	4.136
70	THR	HG1	4.553
85	SER	HG	4.782
98	THR	HG1	5.853
114	SER	HG	4.77

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	820	790	96.3
¹³C chemical shifts	620	576	92.9
¹⁵N chemical shifts	148	139	93.9

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	286	276	96.5
¹³C chemical shifts	276	269	97.5
¹⁵N chemical shifts	133	126	94.7

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	534	514	96.3
¹³C chemical shifts	344	307	89.2
¹⁵N chemical shifts	15	13	86.7

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	71	71	100.0
¹³C chemical shifts	71	71	100.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	80	68	85.0
¹³C chemical shifts	78	44	56.4
¹⁵N chemical shifts	2	2	100.0

Comp_index_ID	Comp_ID
1	S1Q

Keywords FLUORESCENT PROTEIN, Fluorogen-activating protein PAS domain

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Found 1 Document (0.404 seconds)

BMRB: 34572

Sample

Related entities 1. FAST, entity 1, : 1 : 2 : 1 : 100 entities Detail

Experiments performed 8 experiments Detail

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Chemical shift validation 4 contents Detail