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Found 1 Document (0.391 seconds)

BMRB: 30350

6B9K

Solution NMR Structure of Unbound P18-I10

Authors

Flores-Solis, D., McShan, A., Sgourakis, N.

Assembly

ARG-GLY-PRO-GLY-ARG-ALA-PHE-VAL-THR-ILE

Entity

1. ARG-GLY-PRO-GLY-ARG-ALA-PHE-VAL-THR-ILE (polymer, Thiol state: not present), 10 monomers, 1073.249 Da Detail

RGPGRAFVTI

Formula weight

1073.249 Da

Source organism

Human immunodeficiency virus 1

Exptl. method

solution NMR

Data set

assigned_chemical_shifts, spectral_peak_list

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 64.6 %, Completeness (bb): 75.9 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	64.6 % (73 of 113)	59.3 % (35 of 59)	66.7 % (30 of 45)	88.9 % (8 of 9)
Backbone	75.9 % (44 of 58)	85.7 % (18 of 21)	64.3 % (18 of 28)	88.9 % (8 of 9)
Sidechain	58.7 % (37 of 63)	44.7 % (17 of 38)	80.0 % (20 of 25)
Aromatic	10.0 % (1 of 10)	20.0 % (1 of 5)	0.0 % (0 of 5)
Methyl	50.0 % (6 of 12)	0.0 % (0 of 6)	100.0 % (6 of 6)

1. entity 1

RGPGRAFVTI

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 277 (±0.1) K, pH 7.2 (±0.05), Details 1.0 mM ARG-GLY-PRO-GLY-ARG-ALA-PHE-VAL-THR-ILE, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	ARG-GLY-PRO-GLY-ARG-ALA-PHE-VAL-THR-ILE	natural abundance		1.0 (±0.1) mM

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 277 (±0.1) K, pH 7.2 (±0.05), Details 1.00 mM [U-99% 13C; U-99% 15N] ARG-GLY-PRO-GLY-ARG-ALA-PHE-VAL-THR-ILE, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
2	ARG-GLY-PRO-GLY-ARG-ALA-PHE-VAL-THR-ILE	[U-99% 13C; U-99% 15N]		1.00 (±0.1) mM

Release date

2017-11-09

Citation

Peptide exchange on MHC-I by TAPBPR is driven by a negative allostery release cycle
McShan, A., Natarajan, K., Flores-Solis, D., Kumirov, V., Jiang, J., Badstubner, M., Marguiles, D., Sgourakis, N.
Nat. Chem. Biol. (2018), 14, 811-820, PubMed 29988068 , DOI 10.1038/s41589-018-0096-2 , Abstract

Entries sharing articles BMRB: 2 entries Detail

  BMRB: 27248 released on 2017-09-10
    Title Backbone amide and AILV methyl chemical shift assignments for Beta2-microglobulin, a human class I major histocompatibility molecule light chain
  BMRB: 27249 released on 2017-09-10
    Title Backbone amide and AILV methyl chemical shift assignments for H2-Dd, a murine class I major histocompatibility molecule heavy chain

Related entities 1. ARG-GLY-PRO-GLY-ARG-ALA-PHE-VAL-THR-ILE, : 1 : 22 : 1 entities Detail

Interaction partners 1. ARG-GLY-PRO-GLY-ARG-ALA-PHE-VAL-THR-ILE, : 1 interactors Detail

More details for 1 interactors identified by 1 citations

Experiments performed 4 experiments Detail

NMR combined restraints 3 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints	combined_30350_6b9k.nef
Input source #2: Coordindates	6b9k.cif
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

Sequence alignments

Entity_assembly_ID (NMR): A vs Auth_asym_ID (model): A

--------10
RGPGRAFVTI
||||||||||
RGPGRAFVTI

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	10	0	0	100.0

Content subtype: combined_30350_6b9k.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_1	Warning	73		100.0 (chain: A, length: 10)
1	Distance restraints	DYANA/DIANA_distance_constraints_2	OK	115 (1)	noe	90.0 (chain: A, length: 10)

Assigned chemical shifts

Saveframe: assigned_chemical_shifts_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 10, Sequence coverage: 100.0%
- Total number of assignments
  - ¹H chemical shifts: 35
  - ¹³C chemical shifts: 30
  - ¹⁵N chemical shifts: 8
- Completeness of assignments
  - Entity_assemble_ID: A
- 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: A

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	59	35	59.3
¹³C chemical shifts	45	30	66.7
¹⁵N chemical shifts	11	8	72.7

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	21	18	85.7
¹³C chemical shifts	20	10	50.0
¹⁵N chemical shifts	9	8	88.9

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	38	17	44.7
¹³C chemical shifts	25	20	80.0
¹⁵N chemical shifts	2	0	0.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	6	0	0.0
¹³C chemical shifts	6	6	100.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	5	1	20.0
¹³C chemical shifts	5	0	0.0

Distance restraints

Saveframe: DYANA/DIANA_distance_constraints_2
- Status: OK
- Experiment type: noe
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 10, Sequence coverage: 90.0%
- Total number of restraints: 115
- Weight of restraints: 1.0 (115)
- Potential type of restraints: upper-bound-parabolic (115)
- Range of distance target values: 2.4, 5.5 (Å)
- Histogram of distance target values
- Histogram of discrepancy in distance target values
- Distance restraints per residue
  - Chain_ID: A
- Distance restraints on contact map

Keywords PEPTIDE BINDING PROTEIN, STRUCTURE FROM CYANA 2.1

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Found 1 Document (0.391 seconds)

BMRB: 30350

Sample #1

Sample #2

Entries sharing articles BMRB: 2 entries Detail

Related entities 1. ARG-GLY-PRO-GLY-ARG-ALA-PHE-VAL-THR-ILE, : 1 : 22 : 1 entities Detail

Interaction partners 1. ARG-GLY-PRO-GLY-ARG-ALA-PHE-VAL-THR-ILE, : 1 interactors Detail

Experiments performed 4 experiments Detail

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

NMR combined restraints 3 contents Detail