BMRBj - BMREntryMaster

Found 1 Document (0.357 seconds)

BMRB: 30852

5T56

[2]Catenane From MccJ25 Variant G12C G21C

Authors

Link, A.J., Schroeder, H.V.

Assembly

GGAGHVPEYF and VCIGTPISFYC

Entity

1. GGAGHVPEYF and VCIGTPISFYC, entity 1 (polymer, Thiol state: not present), 10 monomers, 1033.094 Da Detail

GGAGHVPEYF

2. GGAGHVPEYF and VCIGTPISFYC, entity 2 (polymer), 11 monomers, 1202.442 Da Detail

VCIGTPISFY C

Total weight

2235.5361 Da

Max. entity weight

1202.442 Da

Source organism

Escherichia coli

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 90.5 %, Completeness: 89.6 %, Completeness (bb): 81.8 % Detail

Polymer type: polypeptide(L)

	Total	¹H
All	89.6 % (103 of 115)	89.6 % (103 of 115)
Backbone	81.8 % (36 of 44)	81.8 % (36 of 44)
Sidechain	94.4 % (67 of 71)	94.4 % (67 of 71)
Aromatic	100.0 % (20 of 20)	100.0 % (20 of 20)
Methyl	100.0 % (10 of 10)	100.0 % (10 of 10)

1. entity 1

GGAGHVPEYF

2. entity 2

VCIGTPISFY C

Show sample condition

Sample

Solvent system 95% H2O/5% D2O, Pressure 1 bar, Temperature 295 K, pH 6, Details 1.03 mM [2]catenane, 95% H2O/5% D2O

#	Name	Isotope labeling	Type	Concentration
1	[2]catenane	natural abundance		1.03 mM
2	[2]catenane	natural abundance		1.03 mM

Release date

2021-03-02

Citation

Dynamic covalent self-assembly of mechanically interlocked molecules solely made from peptides
Schroeder, H.V., Zhang, Y., Link, A.J.
Nat. Chem. (2021), 13, 850-857, PubMed 34426684 , DOI 10.1038/s41557-021-00770-7 , Abstract

Related entities 1. GGAGHVPEYF and VCIGTPISFYC, entity 1, : 1 : 9 entities Detail

Related entities 2. GGAGHVPEYF and VCIGTPISFYC, entity 2, : 1 entities Detail

Interaction partners 1. GGAGHVPEYF and VCIGTPISFYC, entity 1, : 1 interactors Detail

More details for 1 interactors identified by 1 citations

Experiments performed 3 experiments Detail

Chemical shift validation 4 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr30852_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: bmr30852_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_1	Warning	125		90.9 (chain: 2, length: 11), 90.0 (chain: 1, length: 10)
1	Chemical shift references	chem_shift_reference_1	OK	1		No information

Assigned chemical shifts

Saveframe: assigned_chemical_shifts_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 2, Chain length: 11, Sequence coverage: 90.9%
  - Entity_assembly_ID: 1, Chain length: 10, Sequence coverage: 90.0%
- Total number of assignments
  - ¹H chemical shifts: 125
- Completeness of assignments
  - Entity_assemble_ID: 2
  - Entity_assemble_ID: 1
- Histogram of normalized assigned chemical shifts
- Random coil index and derived parameters (S² and NMR RMSD)
  - Chain_ID: 2
  - Chain_ID: 1

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	62	55	88.7

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	22	19	86.4

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	40	36	90.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	7	7	100.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	9	9	100.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	53	50	94.3

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	22	19	86.4

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	31	31	100.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	3	3	100.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	11	11	100.0

Keywords DE NOVO PROTEIN, catenane, lasso peptide, mechanically interlocked molecule

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Found 1 Document (0.357 seconds)

BMRB: 30852

Sample

Related entities 1. GGAGHVPEYF and VCIGTPISFYC, entity 1, : 1 : 9 entities Detail

Related entities 2. GGAGHVPEYF and VCIGTPISFYC, entity 2, : 1 entities Detail

Interaction partners 1. GGAGHVPEYF and VCIGTPISFYC, entity 1, : 1 interactors Detail

Experiments performed 3 experiments Detail

Instrument

Sample

Instrument

Sample

Instrument

Sample

Chemical shift validation 4 contents Detail