BMRBj - BMREntryMaster

Found 1 Document (0.715 seconds)

BMRB: 34393

6RFM

Bordetella pertussis adenylate cyclase toxin transmembrane segment 411-490 in DPC micelles

Authors

Masin, J., Bumba, L., Veverka, V.

Assembly

Bifunctional hemolysin/adenylate cyclase (E.C.4.6.1.1)

Entity

1. Bifunctional hemolysin/adenylate cyclase (E.C.4.6.1.1) (polymer, Thiol state: not present), 80 monomers, 8217.042 Da Detail

GSRSFSLGEV SDMAAVEAAE LEMTRQVLHA GARQDDAEPG VSGASAHWGQ RALQGAQAVA AAQRLVHAIA LMTQFGRAGS

Formula weight

8217.042 Da

Source organism

Bordetella pertussis

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 97.5 %, Completeness: 95.0 %, Completeness (bb): 97.1 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	95.0 % (787 of 828)	95.0 % (401 of 422)	95.0 % (303 of 319)	95.4 % (83 of 87)
Backbone	97.1 % (464 of 478)	96.4 % (162 of 168)	97.8 % (226 of 231)	96.2 % (76 of 79)
Sidechain	93.3 % (393 of 421)	94.1 % (239 of 254)	92.5 % (147 of 159)	87.5 % (7 of 8)
Aromatic	68.2 % (30 of 44)	77.3 % (17 of 22)	57.1 % (12 of 21)	100.0 % (1 of 1)
Methyl	100.0 % (92 of 92)	100.0 % (46 of 46)	100.0 % (46 of 46)

1. entity 1

GSRSFSLGEV SDMAAVEAAE LEMTRQVLHA GARQDDAEPG VSGASAHWGQ RALQGAQAVA AAQRLVHAIA LMTQFGRAGS

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5, Details 450 uM [U-13C; U-15N] Cya411-490, 25 mM sodium phosphate, 100 mM sodium chloride, 1 mM TCEP, 100 mM [U-2H] DPC, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	Cya411-490	[U-13C; U-15N]	450 uM
2	sodium phosphate	natural abundance	25 mM
3	sodium chloride	natural abundance	100 mM
4	TCEP	natural abundance	1 mM
5	DPC	[U-2H]	100 mM

Protein Blocks Logo

Calculated from 50 models in PDB: 6RFM, Strand ID: A Detail

Release date

2020-05-04

Citation

Negative charge of the AC-to-Hly linking segment modulates calcium-dependent membrane activities of Bordetella adenylate cyclase toxin
Sukova, A., Bumba, L., Srb, P., Veverka, V., Stanek, O., Holubova, J., Chmelik, J., Fiser, R., Sebo, P., Masin, J.
Biochim. Biophys. Acta. Biomembr. (2020), 1862, 183310-183310, PubMed 32333856 , DOI 10.1016/j.bbamem.2020.183310 , Abstract

Related entities 1. Bifunctional hemolysin/adenylate cyclase (E.C.4.6.1.1), : 1 : 2 : 2 entities Detail

Experiments performed 6 experiments Detail

1 3D HNCACB

Instrument

Bruker AVANCE - 850 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5, Details 450 uM [U-13C; U-15N] Cya411-490, 25 mM sodium phosphate, 100 mM sodium chloride, 1 mM TCEP, 100 mM [U-2H] DPC, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	Cya411-490	[U-13C; U-15N]	450 uM
2	sodium phosphate	natural abundance	25 mM
3	sodium chloride	natural abundance	100 mM
4	TCEP	natural abundance	1 mM
5	DPC	[U-2H]	100 mM

2 3D CBCA(CO)NH

Instrument

Bruker AVANCE - 850 MHz

Sample

#	Name	Isotope labeling	Concentration
1	Cya411-490	[U-13C; U-15N]	450 uM
2	sodium phosphate	natural abundance	25 mM
3	sodium chloride	natural abundance	100 mM
4	TCEP	natural abundance	1 mM
5	DPC	[U-2H]	100 mM

3 3D HNCO

Instrument

Bruker AVANCE - 850 MHz

Sample

#	Name	Isotope labeling	Concentration
1	Cya411-490	[U-13C; U-15N]	450 uM
2	sodium phosphate	natural abundance	25 mM
3	sodium chloride	natural abundance	100 mM
4	TCEP	natural abundance	1 mM
5	DPC	[U-2H]	100 mM

4 3D HCCH-TOCSY

Instrument

Bruker AVANCE - 850 MHz

Sample

#	Name	Isotope labeling	Concentration
1	Cya411-490	[U-13C; U-15N]	450 uM
2	sodium phosphate	natural abundance	25 mM
3	sodium chloride	natural abundance	100 mM
4	TCEP	natural abundance	1 mM
5	DPC	[U-2H]	100 mM

5 3D 1H-13C NOESY

Instrument

Bruker AVANCE - 850 MHz

Sample

#	Name	Isotope labeling	Concentration
1	Cya411-490	[U-13C; U-15N]	450 uM
2	sodium phosphate	natural abundance	25 mM
3	sodium chloride	natural abundance	100 mM
4	TCEP	natural abundance	1 mM
5	DPC	[U-2H]	100 mM

6 3D 1H-15N NOESY

Instrument

Bruker AVANCE - 850 MHz

Sample

#	Name	Isotope labeling	Concentration
1	Cya411-490	[U-13C; U-15N]	450 uM
2	sodium phosphate	natural abundance	25 mM
3	sodium chloride	natural abundance	100 mM
4	TCEP	natural abundance	1 mM
5	DPC	[U-2H]	100 mM

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr34393_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	OK

Disulfide bonds

None

Other bonds (neither disulfide, covalent nor hydrogen bonds, e.g. Zinc–sulphur bond)

None

Non-standard residues

None

Content subtype: bmr34393_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_1	OK	885		97.5 (chain: 1, length: 80)
1	Chemical shift references	chem_shift_reference_1	OK	3		No information

Assigned chemical shifts

Saveframe: assigned_chemical_shifts_1
- Status: OK
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 80, Sequence coverage: 97.5%
- Total number of assignments
  - ¹H chemical shifts: 499
  - ¹³C chemical shifts: 303
  - ¹⁵N chemical shifts: 83
- Completeness of assignments
  - Entity_assemble_ID: 1
- 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

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	422	401	95.0
¹³C chemical shifts	319	303	95.0
¹⁵N chemical shifts	93	83	89.2

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	168	162	96.4
¹³C chemical shifts	160	156	97.5
¹⁵N chemical shifts	79	76	96.2

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	254	239	94.1
¹³C chemical shifts	159	147	92.5
¹⁵N chemical shifts	14	7	50.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	49	49	100.0
¹³C chemical shifts	49	49	100.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	22	17	77.3
¹³C chemical shifts	21	12	57.1
¹⁵N chemical shifts	1	1	100.0

Keywords Bordetella pertussis, TOXIN, adenylate cyclase, calcium binding, membrane protein

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Found 1 Document (0.715 seconds)

BMRB: 34393

Sample

Related entities 1. Bifunctional hemolysin/adenylate cyclase (E.C.4.6.1.1), : 1 : 2 : 2 entities Detail

Experiments performed 6 experiments Detail

Instrument

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Chemical shift validation 3 contents Detail