BMRBj - BMREntryMaster

	Total	¹H	¹³C	¹⁵N
All	42.2 % (571 of 1354)	28.8 % (198 of 687)	49.6 % (270 of 544)	83.7 % (103 of 123)
Backbone	70.0 % (501 of 716)	57.3 % (146 of 255)	73.0 % (252 of 345)	88.8 % (103 of 116)
Sidechain	17.7 % (131 of 741)	12.0 % (52 of 432)	26.2 % (79 of 302)	0.0 % (0 of 7)
Aromatic	4.1 % (6 of 146)	8.2 % (6 of 73)	0.0 % (0 of 71)	0.0 % (0 of 2)
Methyl	21.1 % (32 of 152)	18.4 % (14 of 76)	23.7 % (18 of 76)

1. entity

MTSLYKKVGM QDTSSVVPLH WFGFGYAALV ASGGIIGYVK AGSVPSLAAG LLFGSLAGLG AYQLSQDPRN VWVFLATSGT LAGIMGMRFY HSGKFMPAGL IAGASLLMVA KVGVSMFNRP H

Show sample condition

Sample #1

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 310 K, pH 6.0, Details U-15N-labeled protein

#	Name	Isotope labeling	Concentration
1	TMEM14C	[U-15N]	0.2 mM
2	MES-BisTris	natural abundance	20 mM
3	LMPG	natural abundance	2 %
4	DSS	natural abundance	0.5 mM
5	H2O	natural abundance	95 %
6	D2O	natural abundance	5 %

Sample #2

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 310 K, pH 6.0, Details U-15N-13C-labeled protein

#	Name	Isotope labeling	Concentration
7	TMEM14C	[U-15N; U-13C]	0.2 mM
8	MES-BisTris	natural abundance	20 mM
9	LMPG	natural abundance	2 %
10	DSS	natural abundance	0.5 mM
11	H2O	natural abundance	95 %
12	D2O	natural abundance	5 %

Sample #3

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 310 K, pH 6.0, Details U-15N-13C-2H-labeled protein

#	Name	Isotope labeling	Concentration
13	TMEM14C	[U-15N; U-13C; U-2H]	0.2 mM
14	MES-BisTris	natural abundance	20 mM
15	LMPG	natural abundance	2 %
16	DSS	natural abundance	0.5 mM
17	H2O	natural abundance	95 %
18	D2O	natural abundance	5 %

Sample #4

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 310 K, pH 6.0, Details U-15N-2H-labeled protein

#	Name	Isotope labeling	Concentration
19	TMEM14C	[U-15N; U-2H]	0.2 mM
20	MES-BisTris	natural abundance	20 mM
21	LMPG	natural abundance	2 %
22	DSS	natural abundance	0.5 mM
23	H2O	natural abundance	95 %
24	D2O	natural abundance	5 %

Sample #5

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 310 K, pH 6.0, Details U-15N-labeled single-cysteine mutants with paramagnetic spin label (MTSL)

#	Name	Isotope labeling	Concentration
25	TMEM14C	[U-15N]	0.2 mM
26	MES-BisTris	natural abundance	20 mM
27	LMPG	natural abundance	2 %
28	DSS	natural abundance	0.5 mM
29	H2O	natural abundance	95 %
30	D2O	natural abundance	5 %

Sample #6

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 310 K, pH 6.0, Details U-15N-labeled single-cysteine mutants with diamagnetic analog of MTSL

#	Name	Isotope labeling	Concentration
31	TMEM14C	[U-15N]	0.2 mM
32	MES-BisTris	natural abundance	20 mM
33	LMPG	natural abundance	2 %
34	DSS	natural abundance	0.5 mM
35	H2O	natural abundance	95 %
36	D2O	natural abundance	5 %

Protein Blocks Logo

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

Release date

2012-05-21

Citation

Facile backbone structure determination of human membrane proteins by NMR spectroscopy
Klammt, C., Maslennikov, I., Bayrhuber, M., Eichmann, C., Vajpai, N., Chiu, E., Blain, K.Y., Esquivies, L., Kwon, J., Balana, B., Pieper, U., Sali, A., Slesinger, P.A., Kwiatkowski, W., Riek, R., Choe, S.
Nat. Methods (2012), 9, 834-839, PubMed 22609626 , DOI 10.1038/nmeth.2033 , Abstract

Related entities 1. TMEM14C, : 1 : 3 : 21 entities Detail

Interaction partners 1. TMEM14C, : 4 interactors Detail

More details for 4 interactors identified by 4 citations

Experiments performed 10 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker DRX - 700 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 310 K, pH 6.0, Details U-15N-labeled protein

#	Name	Isotope labeling	Concentration
1	TMEM14C	[U-15N]	0.2 mM
2	MES-BisTris	natural abundance	20 mM
3	LMPG	natural abundance	2 %
4	DSS	natural abundance	0.5 mM
5	H2O	natural abundance	95 %
6	D2O	natural abundance	5 %

2 3D HNCO

Instrument

Bruker DRX - 700 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 310 K, pH 6.0, Details U-15N-13C-labeled protein

#	Name	Isotope labeling	Concentration
7	TMEM14C	[U-15N; U-13C]	0.2 mM
8	MES-BisTris	natural abundance	20 mM
9	LMPG	natural abundance	2 %
10	DSS	natural abundance	0.5 mM
11	H2O	natural abundance	95 %
12	D2O	natural abundance	5 %

3 3D HNCA

Instrument

Bruker DRX - 700 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 310 K, pH 6.0, Details U-15N-13C-labeled protein

#	Name	Isotope labeling	Concentration
7	TMEM14C	[U-15N; U-13C]	0.2 mM
8	MES-BisTris	natural abundance	20 mM
9	LMPG	natural abundance	2 %
10	DSS	natural abundance	0.5 mM
11	H2O	natural abundance	95 %
12	D2O	natural abundance	5 %

4 3D HNCACB

Instrument

Bruker DRX - 700 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 310 K, pH 6.0, Details U-15N-2H-labeled protein

#	Name	Isotope labeling	Concentration
19	TMEM14C	[U-15N; U-2H]	0.2 mM
20	MES-BisTris	natural abundance	20 mM
21	LMPG	natural abundance	2 %
22	DSS	natural abundance	0.5 mM
23	H2O	natural abundance	95 %
24	D2O	natural abundance	5 %

5 3D HN(CO)CA

Instrument

Bruker DRX - 700 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 310 K, pH 6.0, Details U-15N-13C-labeled protein

#	Name	Isotope labeling	Concentration
7	TMEM14C	[U-15N; U-13C]	0.2 mM
8	MES-BisTris	natural abundance	20 mM
9	LMPG	natural abundance	2 %
10	DSS	natural abundance	0.5 mM
11	H2O	natural abundance	95 %
12	D2O	natural abundance	5 %

6 3D 1H-15N NOESY

Instrument

Bruker DRX - 700 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 310 K, pH 6.0, Details U-15N-labeled protein

#	Name	Isotope labeling	Concentration
1	TMEM14C	[U-15N]	0.2 mM
2	MES-BisTris	natural abundance	20 mM
3	LMPG	natural abundance	2 %
4	DSS	natural abundance	0.5 mM
5	H2O	natural abundance	95 %
6	D2O	natural abundance	5 %

7 3D 13C-15N HSQC-NOESY-HSQC

Instrument

Bruker DRX - 700 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 310 K, pH 6.0, Details U-15N-13C-labeled protein

#	Name	Isotope labeling	Concentration
7	TMEM14C	[U-15N; U-13C]	0.2 mM
8	MES-BisTris	natural abundance	20 mM
9	LMPG	natural abundance	2 %
10	DSS	natural abundance	0.5 mM
11	H2O	natural abundance	95 %
12	D2O	natural abundance	5 %

8 2D 1H-15N HSQC

Instrument

Bruker DRX - 700 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 310 K, pH 6.0, Details U-15N-labeled single-cysteine mutants with paramagnetic spin label (MTSL)

#	Name	Isotope labeling	Concentration
25	TMEM14C	[U-15N]	0.2 mM
26	MES-BisTris	natural abundance	20 mM
27	LMPG	natural abundance	2 %
28	DSS	natural abundance	0.5 mM
29	H2O	natural abundance	95 %
30	D2O	natural abundance	5 %

9 2D 1H-15N HSQC

Instrument

Bruker DRX - 700 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 310 K, pH 6.0, Details U-15N-labeled single-cysteine mutants with diamagnetic analog of MTSL

#	Name	Isotope labeling	Concentration
31	TMEM14C	[U-15N]	0.2 mM
32	MES-BisTris	natural abundance	20 mM
33	LMPG	natural abundance	2 %
34	DSS	natural abundance	0.5 mM
35	H2O	natural abundance	95 %
36	D2O	natural abundance	5 %

10 3D 1H-15N NOESY

Instrument

Bruker DRX - 700 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 310 K, pH 6.0, Details U-15N-2H-labeled protein

#	Name	Isotope labeling	Concentration
19	TMEM14C	[U-15N; U-2H]	0.2 mM
20	MES-BisTris	natural abundance	20 mM
21	LMPG	natural abundance	2 %
22	DSS	natural abundance	0.5 mM
23	H2O	natural abundance	95 %
24	D2O	natural abundance	5 %

NMR combined restraints 6 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints	combined_18223_2los.nef
Input source #2: Coordindates	2los.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-
MTSLYKKVGMQDTSSVVPLHWFGFGYAALVASGGIIGYVKAGSVPSLAAGLLFGSLAGLGAYQLSQDPRNVWVFLATSGTLAGIMGMRFYHSGKFMPAGL
||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
MTSLYKKVGMQDTSSVVPLHWFGFGYAALVASGGIIGYVKAGSVPSLAAGLLFGSLAGLGAYQLSQDPRNVWVFLATSGTLAGIMGMRFYHSGKFMPAGL
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100

------100-------110--
IAGASLLMVAKVGVSMFNRPH
|||||||||||||||||||||
IAGASLLMVAKVGVSMFNRPH
-------110-------120-

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	121	0	0	100.0

Content subtype: combined_18223_2los.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	509		89.3 (chain: A, length: 121)
1	Distance restraints	DYANA/DIANA_distance_constraints_4	OK	500 (1)	undefined	71.9 (chain: A, length: 121)
2	Distance restraints	DYANA/DIANA_distance_constraints_5	OK	318 (1)	undefined	70.2 (chain: A, length: 121)
3	Distance restraints	DYANA/DIANA_distance_constraints_2	OK	144 (1)	hbond	62.0 (chain: A, length: 121)
4	Distance restraints	DYANA/DIANA_distance_constraints_3	OK	144 (1)	hbond	62.0 (chain: A, length: 121)

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 121, Sequence coverage: 89.3%
- Total number of assignments
  - ¹³C chemical shifts: 257
  - ¹H chemical shifts: 151
  - ¹⁵N chemical shifts: 101
- Completeness of assignments
  - Entity_assemble_ID: A
- 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 (%)
¹³C chemical shifts	544	257	47.2
¹H chemical shifts	687	151	22.0
¹⁵N chemical shifts	126	101	80.2

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	242	186	76.9
¹H chemical shifts	255	136	53.3
¹⁵N chemical shifts	116	101	87.1

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	302	71	23.5
¹H chemical shifts	432	15	3.5
¹⁵N chemical shifts	10	0	0.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	83	16	19.3
¹H chemical shifts	83	9	10.8

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	71	0	0.0
¹H chemical shifts	73	0	0.0
¹⁵N chemical shifts	2	0	0.0

Distance restraints

Saveframe: DYANA/DIANA_distance_constraints_4
- Status: OK
- Experiment type: undefined
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 121, Sequence coverage: 71.9%
- Total number of restraints: 500
- Weight of restraints: 1.0 (500)
- Potential type of restraints: lower-bound-parabolic (500)
- Range of distance target values: 5.48, 25.0 (Å)
- Histogram of distance target values
- Distance restraints per residue
  - Chain_ID: A
- Distance restraints on contact map
- Saveframe: DYANA/DIANA_distance_constraints_5
  - Status: OK
  - Experiment type: undefined
  - Sequence coverage of experimental data
    - Entity_assembly_ID: A, Chain length: 121, Sequence coverage: 70.2%
  - Total number of restraints: 318
  - Weight of restraints: 1.0 (318)
  - Potential type of restraints: upper-bound-parabolic (318)
  - Range of distance target values: 11.62, 30.32 (Å)
  - Histogram of distance target values
  - Distance restraints per residue
    - Chain_ID: A
  - Distance restraints on contact map
  - Saveframe: DYANA/DIANA_distance_constraints_2
    - Status: OK
    - Experiment type: hbond
    - Sequence coverage of experimental data
      - Entity_assembly_ID: A, Chain length: 121, Sequence coverage: 62.0%
    - Total number of restraints: 144
    - Weight of restraints: 1.0 (144)
    - Potential type of restraints: lower-bound-parabolic (144)
    - Range of distance target values: 1.8, 2.7 (Å)
    - Histogram of distance target values
    - Distance restraints per residue
      - Chain_ID: A
    - Distance restraints on contact map
    - Saveframe: DYANA/DIANA_distance_constraints_3
      - Status: OK
      - Experiment type: hbond
      - Sequence coverage of experimental data
        Entity_assembly_ID: A, Chain length: 121, Sequence coverage: 62.0%
        -----------------10--------20--------30--------40--------50--------60--------70--------80--------90- MTSLYKKVGMQDTSSVVPLHWFGFGYAALVASGGIIGYVKAGSVPSLAAGLLFGSLAGLGAYQLSQDPRNVWVFLATSGTLAGIMGMRFYHSGKFMPAGL ||||||||||||||||||||||| ||||||||||||||||||| ||||||||||||||||| || .................PLHWFGFGYAALVASGGIIGYVK...VPSLAAGLLFGSLAGLGAY.....PRNVWVFLATSGTLAGI..............GL -----------------10--------20--------30--------40--------50--------60--------70--------80--------90- ------100-------110-- IAGASLLMVAKVGVSMFNRPH |||||||||||||| IAGASLLMVAKVGV ------100-----
      - Total number of restraints: 144
        Total hydrogen bond restraints: 144
        O...H-x: 72
        O...h-N: 72
      - Weight of restraints: 1.0 (144)
        Total hydrogen bond restraints: 1.0 (144)
        O...H-x: 1.0 (72)
        O...h-N: 1.0 (72)
      - Potential type of restraints: upper-bound-parabolic (144)
        Total hydrogen bond restraints: upper-bound-parabolic (144)
        O...H-x: upper-bound-parabolic (72)
        O...h-N: upper-bound-parabolic (72)
      - Range of distance target values: 2.0, 3.0 (Å)
      - Histogram of distance target values
      - Distance restraints per residue
        Chain_ID: A
      - Distance restraints on contact map
        Chain_ID_1: A - Chain_ID_2: A

Keywords Backbone structure, Helical bundle, Homo sapiens, Membrane protein, Paramagnetic relaxation enhancement

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Found 1 Document (1.064 seconds)

BMRB: 18223

Sample #1

Sample #2

Sample #3

Sample #4

Sample #5

Sample #6

Related entities 1. TMEM14C, : 1 : 3 : 21 entities Detail

Interaction partners 1. TMEM14C, : 4 interactors Detail

Experiments performed 10 experiments Detail

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NMR combined restraints 6 contents Detail