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BMRB: 30761

6XCU

NMR structure of Ost4 in DPC micelles

Authors

Chaudhary, B.P.

Assembly

Oligosaccharyltransferase

Entity

1. Oligosaccharyltransferase (polymer, Thiol state: not present), 45 monomers, 5221.924 Da Detail

MISDEQLNSL AITFGIVMMT LIDIYHAVDS TMSPKNRLEH HHHHH

Formula weight

5221.924 Da

Source organism

Saccharomyces cerevisiae YJM789

Exptl. method

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 91.1 %, Completeness: 59.9 %, Completeness (bb): 73.1 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	59.9 % (314 of 524)	72.3 % (193 of 267)	39.2 % (82 of 209)	81.3 % (39 of 48)
Backbone	73.1 % (196 of 268)	87.8 % (79 of 90)	58.2 % (78 of 134)	88.6 % (39 of 44)
Sidechain	52.3 % (157 of 300)	64.4 % (114 of 177)	36.1 % (43 of 119)	0.0 % (0 of 4)
Aromatic	0.0 % (0 of 46)	0.0 % (0 of 23)	0.0 % (0 of 23)
Methyl	57.4 % (31 of 54)	96.3 % (26 of 27)	18.5 % (5 of 27)

1. entity 1

MISDEQLNSL AITFGIVMMT LIDIYHAVDS TMSPKNRLEH HHHHH

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 308 K, pH 6.5, Details 400 uM [U-13C; U-15N] Ost4V23D, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	Ost4V23D	[U-13C; U-15N]		400 uM

Protein Blocks Logo

Calculated from 20 models in PDB: 6XCU, Strand ID: A Detail

Release date

2020-06-21

Citation

NMR and MD Simulations Reveal the Impact of the V23D Mutation on the Function of Yeast Oligosaccharyltransferase Subunit Ost4
Chaudhary, B.P., Zoetewey, D.L., McCullagh, M.J., Mohanty, S.
Glycobiology (2021), 31, 838-850, PubMed 33442744 , DOI 10.1093/glycob/cwab002 , Abstract

Entries sharing articles BMRB: 1 entries Detail

BMRB: 30760 released on 2020-06-21
Title NMR structure of Ost4 in DPC micelles

Related entities 1. Oligosaccharyltransferase, : 1 : 1 : 11 entities Detail

Experiments performed 8 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker AVANCE II - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 308 K, pH 6.5, Details 400 uM [U-13C; U-15N] Ost4V23D, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	Ost4V23D	[U-13C; U-15N]		400 uM

2 3D HNCACB

Instrument

Bruker AVANCE II - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 308 K, pH 6.5, Details 400 uM [U-13C; U-15N] Ost4V23D, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	Ost4V23D	[U-13C; U-15N]		400 uM

3 3D CBCA(CO)NH

Instrument

Bruker AVANCE II - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 308 K, pH 6.5, Details 400 uM [U-13C; U-15N] Ost4V23D, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	Ost4V23D	[U-13C; U-15N]		400 uM

4 3D H(CCO)NH

Instrument

Varian INOVA - 900 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 308 K, pH 6.5, Details 400 uM [U-13C; U-15N] Ost4V23D, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	Ost4V23D	[U-13C; U-15N]		400 uM

5 3D 1H-15N NOESY

Instrument

Varian INOVA - 900 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 308 K, pH 6.5, Details 400 uM [U-13C; U-15N] Ost4V23D, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	Ost4V23D	[U-13C; U-15N]		400 uM

6 3D 1H-15N TOCSY

Instrument

Bruker AVANCE II - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 308 K, pH 6.5, Details 400 uM [U-13C; U-15N] Ost4V23D, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	Ost4V23D	[U-13C; U-15N]		400 uM

7 3D HNCA

Instrument

Bruker AVANCE II - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 308 K, pH 6.5, Details 400 uM [U-13C; U-15N] Ost4V23D, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	Ost4V23D	[U-13C; U-15N]		400 uM

8 3D HCCH-TOCSY

Instrument

Bruker AVANCE II - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 308 K, pH 6.5, Details 400 uM [U-13C; U-15N] Ost4V23D, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	Ost4V23D	[U-13C; U-15N]		400 uM

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr30761_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: bmr30761_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_1	Warning	366		91.1 (chain: 1, length: 45)
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: 45, Sequence coverage: 91.1%
- Total number of assignments
  - ¹H chemical shifts: 245
  - ¹³C chemical shifts: 82
  - ¹⁵N chemical shifts: 39
- 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 TRANSFERASE