BMRBj - BMREntryMaster

	Total	¹H	¹³C	¹⁵N
All	31.9 % (228 of 715)	26.0 % (101 of 388)	27.2 % (72 of 265)	88.7 % (55 of 62)
Backbone	62.2 % (214 of 344)	82.1 % (96 of 117)	36.8 % (63 of 171)	98.2 % (55 of 56)
Sidechain	4.2 % (18 of 426)	1.8 % (5 of 271)	8.7 % (13 of 149)	0.0 % (0 of 6)
Aromatic	0.0 % (0 of 22)	0.0 % (0 of 11)	0.0 % (0 of 11)
Methyl	14.3 % (6 of 42)	9.5 % (2 of 21)	19.0 % (4 of 21)

1. entity

GPLGSIKELK MSKDEIKREY KEMEGSPEIK SKRRQFHQEI QSRNMRENVK RSSVVVAN

Show sample condition

Sample

Solvent system 92% H2O/8% D2O, Pressure 1 atm, Temperature 310 K, pH 6.0

#	Name	Isotope labeling	Concentration
1	protein	[U-99% 13C; U-99% 15N]	100 uM
2	sodium phosphate	natural abundance	30 mM
3	sodium chloride	natural abundance	50 mM
4	SDS	natural abundance	26 mM

Protein Blocks Logo

Calculated from 20 models in PDB: 2ML9, Strand ID: A Detail

Release date

2014-11-23

Citation

Negatively charged lipid membranes promote a disorder-order transition in the Yersinia YscU protein
Weise, C.F., Login, F.H., Ho, O.H., Grobner, G.H., Wolf-Watz, H.H., Wolf-Watz, M.
Biophys. J. (2014), 107, 1950-1961, PubMed 25418176 , DOI 10.1016/j.bpj.2014.09.005 , Abstract

Related entities 1. YSCUCN in a micellar complex with SDS, : 1 : 1 : 4 : 43 entities Detail

Interaction partners 1. YSCUCN in a micellar complex with SDS, : 2 interactors Detail

More details for 2 interactors identified by 1 citations

Experiments performed 6 experiments Detail

NMR combined restraints 6 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints	combined_19809_2ml9.nef
Input source #2: Coordindates	2ml9.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

------------220-------230-------240-------250-------260---
GPLGSIKELKMSKDEIKREYKEMEGSPEIKSKRRQFHQEIQSRNMRENVKRSSVVVAN
||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
GPLGSIKELKMSKDEIKREYKEMEGSPEIKSKRRQFHQEIQSRNMRENVKRSSVVVAN
--------10--------20--------30--------40--------50--------

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	58	0	0	100.0

Content subtype: combined_19809_2ml9.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	OK	205		94.8 (chain: A, length: 58)
1	Distance restraints	CNS/XPLOR_distance_constraints_4	OK	261 (1)	noe	89.7 (chain: A, length: 58)
2	Distance restraints	CNS/XPLOR_distance_constraints_7	OK	261 (1)	noe	89.7 (chain: A, length: 58)
1	Dihedral angle restraints	CNS/XPLOR_dihedral_2	OK	75 (75)	.	74.1 (chain: A, length: 58)
2	Dihedral angle restraints	CNS/XPLOR_dihedral_5	OK	75 (75)	.	74.1 (chain: A, length: 58)

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: OK
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 58, Sequence coverage: 94.8%
- Total number of assignments
  - ¹H chemical shifts: 95
  - ¹³C chemical shifts: 55
  - ¹⁵N chemical shifts: 55
- Completeness of assignments
  - Entity_assemble_ID: A
- 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	388	95	24.5
¹³C chemical shifts	265	55	20.8
¹⁵N chemical shifts	68	55	80.9

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	117	95	81.2
¹³C chemical shifts	116	55	47.4
¹⁵N chemical shifts	56	55	98.2

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	271	0	0.0
¹³C chemical shifts	149	0	0.0
¹⁵N chemical shifts	12	0	0.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	24	0	0.0
¹³C chemical shifts	24	0	0.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	11	0	0.0
¹³C chemical shifts	11	0	0.0

Distance restraints

Saveframe: CNS/XPLOR_distance_constraints_4
- Status: OK
- Experiment type: noe
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 58, Sequence coverage: 89.7%
- Total number of restraints: 261
- Weight of restraints: 1.0 (261)
- Potential type of restraints: square-well-parabolic (261)
- Range of distance target values: 2.25, 3.9 (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
- Saveframe: CNS/XPLOR_distance_constraints_7
  - Status: OK
  - Experiment type: noe
  - Sequence coverage of experimental data
    - Entity_assembly_ID: A, Chain length: 58, Sequence coverage: 89.7%
  - Total number of restraints: 261
  - Weight of restraints: 1.0 (261)
  - Potential type of restraints: square-well-parabolic (261)
  - Range of distance target values: 2.25, 3.9 (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

Dihedral angle restraints

Saveframe: CNS/XPLOR_dihedral_2
- Status: OK
- Experiment type: .
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 58, Sequence coverage: 74.1%
- Total number of restraints: 75
- Total number of restraints per polymer type: 75
- Weight of restraints: 1.0 (75)
- Potential type of restraints: square-well-parabolic (75)
- Plot of Phi-Psi angle restraints
- Dihedral angle restraints per residue
  - Chain_ID: A
- Saveframe: CNS/XPLOR_dihedral_5
  - Status: OK
  - Experiment type: .
  - Sequence coverage of experimental data
    - Entity_assembly_ID: A, Chain length: 58, Sequence coverage: 74.1%
  - Total number of restraints: 75
  - Total number of restraints per polymer type: 75
  - Weight of restraints: 1.0 (75)
  - Potential type of restraints: square-well-parabolic (75)
  - Plot of Phi-Psi angle restraints
  - Dihedral angle restraints per residue
    - Chain_ID: A

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Found 1 Document (0.651 seconds)

BMRB: 19809

Sample

Related entities 1. YSCUCN in a micellar complex with SDS, : 1 : 1 : 4 : 43 entities Detail

Interaction partners 1. YSCUCN in a micellar complex with SDS, : 2 interactors Detail

Experiments performed 6 experiments Detail

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NMR combined restraints 6 contents Detail