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BMRB: 30807

7KIX

The structure of anti-CRISPR AcrIE2

Authors

Pawluk, A., Davidson, A.R., Maxwell, K.L.

Assembly

Anti-CRISPR protein AcrIE2

Entity

1. Anti-CRISPR protein AcrIE2 (polymer, Thiol state: not present), 91 monomers, 10303.09 Da Detail

MNTYLIDPRK NNDNSGERFT VDAVDITAAA KSAAQQILGE EFEGLVYRET GESNGSGMFQ AYHHLHGTNR TETTVGYPFH VMELEHHHHH H

Formula weight

10303.09 Da

Source organism

Pseudomonas phage JBD16C

Exptl. method

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 95.6 %, Completeness: 80.1 %, Completeness (bb): 92.3 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	80.1 % (820 of 1024)	81.1 % (424 of 523)	77.9 % (311 of 399)	83.3 % (85 of 102)
Backbone	92.3 % (500 of 542)	91.5 % (172 of 188)	92.1 % (244 of 265)	94.4 % (84 of 89)
Sidechain	70.1 % (396 of 565)	75.2 % (252 of 335)	65.9 % (143 of 217)	7.7 % (1 of 13)
Aromatic	26.8 % (30 of 112)	53.6 % (30 of 56)	0.0 % (0 of 56)
Methyl	84.1 % (69 of 82)	82.9 % (34 of 41)	85.4 % (35 of 41)

1. entity 1

MNTYLIDPRK NNDNSGERFT VDAVDITAAA KSAAQQILGE EFEGLVYRET GESNGSGMFQ AYHHLHGTNR TETTVGYPFH VMELEHHHHH H

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 null, Temperature 298 K, pH 6.8, Details 1.0 mM [U-100% 13C; U-100% 15N] anti-CRISPR, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	anti-CRISPR	[U-100% 13C; U-100% 15N]		1.0 mM

Release date

2020-11-23

Citation

Anti-CRISPR AcrIE2 Binds the Type I-E CRISPR-Cas Complex But Does Not Block DNA Binding
Mejdani, M., Pawluk, A., Maxwell, K.L., Davidson, A.R.
J. Mol. Biol. (2021), 433, 166759-166759, PubMed 33338493 , DOI 10.1016/j.jmb.2020.166759 , Abstract

Related entities 1. Anti-CRISPR protein AcrIE2, : 1 : 3 entities Detail

Experiments performed 12 experiments Detail

1 3D 1H-15N NOESY

Instrument

Varian INOVA - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 null, Temperature 298 K, pH 6.8, Details 1.0 mM [U-100% 13C; U-100% 15N] anti-CRISPR, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	anti-CRISPR	[U-100% 13C; U-100% 15N]		1.0 mM

2 3D 1H-13C NOESY

Instrument

Varian INOVA - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 null, Temperature 298 K, pH 6.8, Details 1.0 mM [U-100% 13C; U-100% 15N] anti-CRISPR, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	anti-CRISPR	[U-100% 13C; U-100% 15N]		1.0 mM

3 2D 1H-13C HSQC

Instrument

Varian INOVA - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 null, Temperature 298 K, pH 6.8, Details 1.0 mM [U-100% 13C; U-100% 15N] anti-CRISPR, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	anti-CRISPR	[U-100% 13C; U-100% 15N]		1.0 mM

4 3D HNCO

Instrument

Varian INOVA - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 null, Temperature 298 K, pH 6.8, Details 1.0 mM [U-100% 13C; U-100% 15N] anti-CRISPR, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	anti-CRISPR	[U-100% 13C; U-100% 15N]		1.0 mM

5 3D HNCACB

Instrument

Varian INOVA - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 null, Temperature 298 K, pH 6.8, Details 1.0 mM [U-100% 13C; U-100% 15N] anti-CRISPR, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	anti-CRISPR	[U-100% 13C; U-100% 15N]		1.0 mM

6 3D CBCA(CO)NH

Instrument

Varian INOVA - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 null, Temperature 298 K, pH 6.8, Details 1.0 mM [U-100% 13C; U-100% 15N] anti-CRISPR, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	anti-CRISPR	[U-100% 13C; U-100% 15N]		1.0 mM

7 3D H(CCO)NH

Instrument

Varian INOVA - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 null, Temperature 298 K, pH 6.8, Details 1.0 mM [U-100% 13C; U-100% 15N] anti-CRISPR, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	anti-CRISPR	[U-100% 13C; U-100% 15N]		1.0 mM

8 3D C(CO)NH

Instrument

Varian INOVA - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 null, Temperature 298 K, pH 6.8, Details 1.0 mM [U-100% 13C; U-100% 15N] anti-CRISPR, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	anti-CRISPR	[U-100% 13C; U-100% 15N]		1.0 mM

9 2D 1H-15N HSQC

Instrument

Varian INOVA - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 null, Temperature 298 K, pH 6.8, Details 1.0 mM [U-100% 13C; U-100% 15N] anti-CRISPR, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	anti-CRISPR	[U-100% 13C; U-100% 15N]		1.0 mM

10 2D 1H-13C HSQC aromatic

Instrument

Varian INOVA - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 null, Temperature 298 K, pH 6.8, Details 1.0 mM [U-100% 13C; U-100% 15N] anti-CRISPR, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	anti-CRISPR	[U-100% 13C; U-100% 15N]		1.0 mM

11 3D 1H-13C NOESY aliphatic

Instrument

Varian INOVA - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 null, Temperature 298 K, pH 6.8, Details 1.0 mM [U-100% 13C; U-100% 15N] anti-CRISPR, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	anti-CRISPR	[U-100% 13C; U-100% 15N]		1.0 mM

12 3D HCCH-TOCSY

Instrument

Varian INOVA - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 null, Temperature 298 K, pH 6.8, Details 1.0 mM [U-100% 13C; U-100% 15N] anti-CRISPR, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	anti-CRISPR	[U-100% 13C; U-100% 15N]		1.0 mM

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr30807_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: bmr30807_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_1	Warning	897		95.6 (chain: 1, length: 91)
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: 91, Sequence coverage: 95.6%
- Total number of assignments
  - ¹H chemical shifts: 504
  - ¹³C chemical shifts: 309
  - ¹⁵N chemical shifts: 84
- Completeness of assignments
  - Entity_assemble_ID: 1
- 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

Keywords VIRAL PROTEIN