BMRBj - BMREntryMaster

	Total	¹H	¹³C	¹⁵N
All	42.6 % (549 of 1289)	22.7 % (151 of 666)	59.3 % (302 of 509)	84.2 % (96 of 114)
Backbone	73.6 % (483 of 656)	46.0 % (104 of 226)	87.7 % (284 of 324)	89.6 % (95 of 106)
Sidechain	21.8 % (160 of 735)	10.7 % (47 of 440)	39.0 % (112 of 287)	12.5 % (1 of 8)
Aromatic	8.7 % (11 of 126)	9.5 % (6 of 63)	6.5 % (4 of 62)	100.0 % (1 of 1)
Methyl	14.4 % (17 of 118)	11.9 % (7 of 59)	16.9 % (10 of 59)

1. KCNE3

MGHHHHHHGM ETTNGTETWY ESLHAVLKAL NATLHSNLLC RPGPGLGPDN QTERRASLPG RDDNSYMYIL FVMFLFAVTV GSLILGYTRS RKVDKRSDPY HVYIKNRVSM I

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 313 K, pH 6.5, Details KCNE3 in bicelles solution containing 250 mM imidazole, 20% DHPC:DMPG (3:1), 2 mM EDTA, 2 mM DTT, pH 6.5.

#	Name	Isotope labeling	Concentration
1	KCNE3	[U-100% 13C; U-100% 15N; U-80% 2H]	0.8 mM
2	DTT	natural abundance	2 mM
3	EDTA	natural abundance	2 mM
4	bicelles	natural abundance	20 %
5	D2O	natural abundance	10 %
6	imidazole	natural abundance	250 mM
7	H2O	natural abundance	90 %

LACS Plot; CA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	internal	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	internal	indirect	0.1013291

Referencing offset: 0.43 ppm, Outliers: 1 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	internal	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	internal	indirect	0.1013291

Referencing offset: 0.43 ppm, Outliers: 1 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	internal	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	internal	indirect	0.1013291

Referencing offset: 3.28 ppm, Outliers: 3 Detail

Protein Blocks Logo

Calculated from 10 models in PDB: 2NDJ, Strand ID: A Detail

Release date

2010-02-10

Citation

Functional delivery of a membrane protein into oocyte membranes using bicelles
Kang, C., Vanoye, C.G., Welch, R.C., Van Horn, W.D., Sanders, C.R.
Biochemistry (2010), 49, 653-655, PubMed 20044833 , DOI 10.1021/bi902155t , Abstract

Entries sharing articles BMRB: 1 entries Detail

BMRB: 16602 released on 2010-02-10
Title 1H, 13C and 15N Chemical Shift Assignment Assignment of Human Membrane Protein KCNE3 in LMPC micelles

Related entities 1. KCNE3, : 7 entities Detail

Interaction partners 1. KCNE3, : 10 interactors Detail

More details for 10 interactors identified by 1 citations

Experiments performed 6 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 313 K, pH 6.5, Details KCNE3 in bicelles solution containing 250 mM imidazole, 20% DHPC:DMPG (3:1), 2 mM EDTA, 2 mM DTT, pH 6.5.

#	Name	Isotope labeling	Concentration
1	KCNE3	[U-100% 13C; U-100% 15N; U-80% 2H]	0.8 mM
2	DTT	natural abundance	2 mM
3	EDTA	natural abundance	2 mM
4	bicelles	natural abundance	20 %
5	D2O	natural abundance	10 %
6	imidazole	natural abundance	250 mM
7	H2O	natural abundance	90 %

2 3D TROSY-HNCACB

Instrument

Bruker Avance - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
1	KCNE3	[U-100% 13C; U-100% 15N; U-80% 2H]	0.8 mM
2	DTT	natural abundance	2 mM
3	EDTA	natural abundance	2 mM
4	bicelles	natural abundance	20 %
5	D2O	natural abundance	10 %
6	imidazole	natural abundance	250 mM
7	H2O	natural abundance	90 %

3 3D TROSY-CBCA(CO)NH

Instrument

Bruker Avance - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
1	KCNE3	[U-100% 13C; U-100% 15N; U-80% 2H]	0.8 mM
2	DTT	natural abundance	2 mM
3	EDTA	natural abundance	2 mM
4	bicelles	natural abundance	20 %
5	D2O	natural abundance	10 %
6	imidazole	natural abundance	250 mM
7	H2O	natural abundance	90 %

4 3D TROSY-HNCA

Instrument

Bruker Avance - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
1	KCNE3	[U-100% 13C; U-100% 15N; U-80% 2H]	0.8 mM
2	DTT	natural abundance	2 mM
3	EDTA	natural abundance	2 mM
4	bicelles	natural abundance	20 %
5	D2O	natural abundance	10 %
6	imidazole	natural abundance	250 mM
7	H2O	natural abundance	90 %

5 3D HN(CO)CA

Instrument

Bruker Avance - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
1	KCNE3	[U-100% 13C; U-100% 15N; U-80% 2H]	0.8 mM
2	DTT	natural abundance	2 mM
3	EDTA	natural abundance	2 mM
4	bicelles	natural abundance	20 %
5	D2O	natural abundance	10 %
6	imidazole	natural abundance	250 mM
7	H2O	natural abundance	90 %

6 3D HNCO

Instrument

Bruker Avance - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
1	KCNE3	[U-100% 13C; U-100% 15N; U-80% 2H]	0.8 mM
2	DTT	natural abundance	2 mM
3	EDTA	natural abundance	2 mM
4	bicelles	natural abundance	20 %
5	D2O	natural abundance	10 %
6	imidazole	natural abundance	250 mM
7	H2O	natural abundance	90 %

NMR combined restraints 6 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints, RDC restraints	combined_16621_2ndj.nef
Input source #2: Coordindates	2ndj.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--------20--------30--------40--------50--------60--------70--------80--------90-
MGHHHHHHGMETTNGTETWYESLHAVLKALNATLHSNLLCRPGPGLGPDNQTEERRASLPGRDDNSYMYILFVMFLFAVTVGSLILGYTRSRKVDKRSDP
||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
MGHHHHHHGMETTNGTETWYESLHAVLKALNATLHSNLLCRPGPGLGPDNQTEERRASLPGRDDNSYMYILFVMFLFAVTVGSLILGYTRSRKVDKRSDP
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100

------100---
YHVYIKNRVSMI
||||||||||||
YHVYIKNRVSMI
-------110--

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	112	0	0	100.0

Content subtype: combined_16621_2ndj.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	475		91.1 (chain: A, length: 112)
1	Distance restraints	CNS/XPLOR_distance_constraints_3	OK	84 (1)	pre	45.5 (chain: A, length: 112)
2	Distance restraints	CNS/XPLOR_distance_constraints_4	OK	189 (1)	noe	73.2 (chain: A, length: 112)
1	Dihedral angle restraints	CNS/XPLOR_dihedral_5	OK	196 (196)	.	92.0 (chain: A, length: 112)
1	RDC restraints	CNS/XPLOR_dipolar_coupling_2	OK	39 (39)	.	34.8 (chain: A, length: 112)

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 112, Sequence coverage: 91.1%
- Total number of assignments
  - ¹³C chemical shifts: 284
  - ¹⁵N chemical shifts: 96
  - ¹H chemical shifts: 95
- Completeness of assignments
  - Entity_assemble_ID: A
- Redox state of CYS
- Peptide bond of PRO
- Histogram of normalized assigned chemical shifts
- Random coil index and derived parameters (S² and NMR RMSD)
  - Chain_ID: A

Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
42	GLN	CD	28.448

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	513	283	55.2
¹⁵N chemical shifts	123	96	78.0
¹H chemical shifts	672	95	14.1

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	224	188	83.9
¹⁵N chemical shifts	107	95	88.8
¹H chemical shifts	228	94	41.2

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	289	95	32.9
¹⁵N chemical shifts	16	1	6.2
¹H chemical shifts	444	1	0.2

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	64	5	7.8
¹H chemical shifts	64	0	0.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	62	0	0.0
¹⁵N chemical shifts	1	1	100.0
¹H chemical shifts	63	1	1.6

Distance restraints

Saveframe: CNS/XPLOR_distance_constraints_3
- Status: OK
- Experiment type: pre
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 112, Sequence coverage: 45.5%
- Total number of restraints: 84
- Weight of restraints: 1.0 (84)
- Potential type of restraints: square-well-parabolic (84)
- Range of distance target values: 7.85, 36.65 (Å)
- Histogram of distance target values
- Distance restraints per residue
  - Chain_ID: A
- Distance restraints on contact map
- Saveframe: CNS/XPLOR_distance_constraints_4
  - Status: OK
  - Experiment type: noe
  - Sequence coverage of experimental data
    - Entity_assembly_ID: A, Chain length: 112, Sequence coverage: 73.2%
  - Total number of restraints: 189
  - Weight of restraints: 1.0 (189)
  - Potential type of restraints: square-well-parabolic (189)
  - Range of distance target values: 2.4, 3.4 (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_5
- Status: OK
- Experiment type: .
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 112, Sequence coverage: 92.0%
- Total number of restraints: 196
- Total number of restraints per polymer type: 196
- Weight of restraints: 1.0 (196)
- Potential type of restraints: square-well-parabolic (196)
- Plot of Phi-Psi angle restraints
- Dihedral angle restraints per residue
  - Chain_ID: A

RDC restraints

Saveframe: CNS/XPLOR_dipolar_coupling_2
- Status: OK
- Experiment type: .
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 112, Sequence coverage: 34.8%
- Total number of restraints: 39
- Potential type of restraints: undefined (39)
- Range of observed RDC values: 100.0, -100.0 (Hz)
- RDC restraints per residue

Keywords KCNE3, membrane protein, NMR

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BMRB: 16621

Sample

Chemical shift reference

Chemical shift reference

Chemical shift reference

Entries sharing articles BMRB: 1 entries Detail

Related entities 1. KCNE3, : 7 entities Detail

Interaction partners 1. KCNE3, : 10 interactors Detail

Experiments performed 6 experiments Detail

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NMR combined restraints 6 contents Detail