BMRBj - BMREntryMaster

	Total	¹H	¹³C	¹⁵N
All	47.7 % (515 of 1079)	39.2 % (219 of 559)	52.3 % (224 of 428)	78.3 % (72 of 92)
Backbone	72.4 % (397 of 548)	67.0 % (128 of 191)	73.2 % (197 of 269)	81.8 % (72 of 88)
Sidechain	29.5 % (181 of 614)	24.7 % (91 of 368)	37.2 % (90 of 242)	0.0 % (0 of 4)
Aromatic	2.0 % (2 of 100)	4.0 % (2 of 50)	0.0 % (0 of 49)	0.0 % (0 of 1)
Methyl	52.0 % (52 of 100)	46.0 % (23 of 50)	58.0 % (29 of 50)

1. entity

MSTDTGVSLP SYEEDQGSKL IRKAKEAPFV PVGIAGFAAI VAYGLYKLKS RGNTKMSIHL IHMRVAAQGF VVGAMTVGMG YSMYREFWAK PKP

Show sample condition

Sample #1

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

#	Name	Isotope labeling	Concentration
1	HIGD1A	[U-15N]	0.2 mM
2	MES-Bis-TRIS	natural abundance	20 mM
3	LMPG	natural abundance	2 %
4	H2O	natural abundance	95 %
5	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

#	Name	Isotope labeling	Concentration
6	HIGD1A	[U-15N; U-13C]	0.2 mM
7	MES-Bis-TRIS	natural abundance	20 mM
8	LMPG	natural abundance	2 %
9	H2O	natural abundance	95 %
10	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

#	Name	Isotope labeling	Concentration
11	HIGD1A	[U-15N; U-13C; U-2H]	0.2 mM
12	MES-Bis-TRIS	natural abundance	20 mM
13	LMPG	natural abundance	2 %
14	H2O	natural abundance	95 %
15	D2O	natural abundance	5 %

Sample #4

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 310 K, pH 6.0, Details Combinatorial residue-selective 15N,13C1-labeled

#	Name	Isotope labeling	Concentration
16	HIGD1A	[U-15N; U-13C1]	0.2 mM
17	MES-Bis-TRIS	natural abundance	20 mM
18	LMPG	natural abundance	2 %
19	H2O	natural abundance	95 %
20	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 MTSL label

#	Name	Isotope labeling	Concentration
21	HIGD1A	[U-15N]	0.2 mM
22	MES-Bis-TRIS	natural abundance	20 mM
23	LMPG	natural abundance	2 %
24	H2O	natural abundance	95 %
25	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 label (MTSL analog)

#	Name	Isotope labeling	Concentration
26	HIGD1A	[U-15N]	0.2 mM
27	MES-Bis-TRIS	natural abundance	20 mM
28	LMPG	natural abundance	2 %
29	H2O	natural abundance	95 %
30	D2O	natural abundance	5 %

LACS Plot; CA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	water	protons	4.703 ppm	internal	indirect	0.2514495
¹H	water	protons	4.703 ppm	internal	direct	1.0
¹⁵N	water	protons	4.703 ppm	internal	indirect	0.1013291

Referencing offset: 3.0 ppm, Outliers: 2 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	water	protons	4.703 ppm	internal	indirect	0.2514495
¹H	water	protons	4.703 ppm	internal	direct	1.0
¹⁵N	water	protons	4.703 ppm	internal	indirect	0.1013291

Referencing offset: 3.0 ppm, Outliers: 2 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	water	protons	4.703 ppm	internal	indirect	0.2514495
¹H	water	protons	4.703 ppm	internal	direct	1.0
¹⁵N	water	protons	4.703 ppm	internal	indirect	0.1013291

Referencing offset: 0.08 ppm, Outliers: 2 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	water	protons	4.703 ppm	internal	indirect	0.2514495
¹H	water	protons	4.703 ppm	internal	direct	1.0
¹⁵N	water	protons	4.703 ppm	internal	indirect	0.1013291

Referencing offset: 3.19 ppm, Outliers: 3 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2LOM, 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. HIGD1A, : 1 : 2 : 42 entities Detail

Interaction partners 1. HIGD1A, : 9 interactors Detail

More details for 9 interactors identified by 5 citations

Experiments performed 9 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 Combinatorial residue-selective 15N,13C1-labeled

#	Name	Isotope labeling	Concentration
16	HIGD1A	[U-15N; U-13C1]	0.2 mM
17	MES-Bis-TRIS	natural abundance	20 mM
18	LMPG	natural abundance	2 %
19	H2O	natural abundance	95 %
20	D2O	natural abundance	5 %

2 2D 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 Combinatorial residue-selective 15N,13C1-labeled

#	Name	Isotope labeling	Concentration
16	HIGD1A	[U-15N; U-13C1]	0.2 mM
17	MES-Bis-TRIS	natural abundance	20 mM
18	LMPG	natural abundance	2 %
19	H2O	natural abundance	95 %
20	D2O	natural abundance	5 %

3 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,2H-labeled

#	Name	Isotope labeling	Concentration
11	HIGD1A	[U-15N; U-13C; U-2H]	0.2 mM
12	MES-Bis-TRIS	natural abundance	20 mM
13	LMPG	natural abundance	2 %
14	H2O	natural abundance	95 %
15	D2O	natural abundance	5 %

4 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,2H-labeled

#	Name	Isotope labeling	Concentration
11	HIGD1A	[U-15N; U-13C; U-2H]	0.2 mM
12	MES-Bis-TRIS	natural abundance	20 mM
13	LMPG	natural abundance	2 %
14	H2O	natural abundance	95 %
15	D2O	natural abundance	5 %

5 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,13C,2H-labeled

#	Name	Isotope labeling	Concentration
11	HIGD1A	[U-15N; U-13C; U-2H]	0.2 mM
12	MES-Bis-TRIS	natural abundance	20 mM
13	LMPG	natural abundance	2 %
14	H2O	natural abundance	95 %
15	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

#	Name	Isotope labeling	Concentration
1	HIGD1A	[U-15N]	0.2 mM
2	MES-Bis-TRIS	natural abundance	20 mM
3	LMPG	natural abundance	2 %
4	H2O	natural abundance	95 %
5	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

#	Name	Isotope labeling	Concentration
6	HIGD1A	[U-15N; U-13C]	0.2 mM
7	MES-Bis-TRIS	natural abundance	20 mM
8	LMPG	natural abundance	2 %
9	H2O	natural abundance	95 %
10	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 MTSL label

#	Name	Isotope labeling	Concentration
21	HIGD1A	[U-15N]	0.2 mM
22	MES-Bis-TRIS	natural abundance	20 mM
23	LMPG	natural abundance	2 %
24	H2O	natural abundance	95 %
25	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 label (MTSL analog)

#	Name	Isotope labeling	Concentration
26	HIGD1A	[U-15N]	0.2 mM
27	MES-Bis-TRIS	natural abundance	20 mM
28	LMPG	natural abundance	2 %
29	H2O	natural abundance	95 %
30	D2O	natural abundance	5 %

NMR combined restraints 5 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints	combined_18217_2lom.nef
Input source #2: Coordindates	2lom.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---
MSTDTGVSLPSYEEDQGSKLIRKAKEAPFVPVGIAGFAAIVAYGLYKLKSRGNTKMSIHLIHMRVAAQGFVVGAMTVGMGYSMYREFWAKPKP
|||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
MSTDTGVSLPSYEEDQGSKLIRKAKEAPFVPVGIAGFAAIVAYGLYKLKSRGNTKMSIHLIHMRVAAQGFVVGAMTVGMGYSMYREFWAKPKP

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	93	0	0	100.0

Content subtype: combined_18217_2lom.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	470		76.3 (chain: A, length: 93)
1	Distance restraints	DYANA/DIANA_distance_constraints_2	OK	156 (1)	undefined	73.1 (chain: A, length: 93)
2	Distance restraints	DYANA/DIANA_distance_constraints_3	OK	186 (1)	undefined	72.0 (chain: A, length: 93)
3	Distance restraints	DYANA/DIANA_distance_constraints_4	Warning	156 (1)	hbond	46.2 (chain: A, length: 93)

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 93, Sequence coverage: 76.3%
- Total number of assignments
  - ¹H chemical shifts: 195
  - ¹³C chemical shifts: 204
  - ¹⁵N chemical shifts: 71
- 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 (%)
¹H chemical shifts	559	195	34.9
¹³C chemical shifts	428	204	47.7
¹⁵N chemical shifts	96	71	74.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	191	124	64.9
¹³C chemical shifts	186	130	69.9
¹⁵N chemical shifts	88	71	80.7

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	368	71	19.3
¹³C chemical shifts	242	74	30.6
¹⁵N chemical shifts	8	0	0.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	56	21	37.5
¹³C chemical shifts	56	23	41.1

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	50	2	4.0
¹³C chemical shifts	49	0	0.0
¹⁵N chemical shifts	1	0	0.0

Distance restraints

Saveframe: DYANA/DIANA_distance_constraints_2
- Status: OK
- Experiment type: undefined
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 93, Sequence coverage: 73.1%
- Total number of restraints: 156
- Weight of restraints: 1.0 (156)
- Potential type of restraints: upper-bound-parabolic (156)
- Range of distance target values: 12.0, 29.9 (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: undefined
  - Sequence coverage of experimental data
    - Entity_assembly_ID: A, Chain length: 93, Sequence coverage: 72.0%
  - Total number of restraints: 186
  - Weight of restraints: 1.0 (186)
  - Potential type of restraints: lower-bound-parabolic (186)
  - Range of distance target values: 6.3, 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_4
    - Status: Warning
    - Experiment type: hbond
    - Sequence coverage of experimental data
      - Entity_assembly_ID: A, Chain length: 93, Sequence coverage: 46.2%
    - Total number of restraints: 156
    - Weight of restraints: 1.0 (156)
    - Potential type of restraints: upper-bound-parabolic (156)
    - Range of distance target values: 1.8, 3.0 (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 Backbone, Helical bundle, Homo sapiens, Membrane protein, Paramagnetic relaxation enhancement

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BMRB: 18217

Sample #1

Sample #2

Sample #3

Sample #4

Sample #5

Sample #6

Chemical shift reference

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. HIGD1A, : 1 : 2 : 42 entities Detail

Interaction partners 1. HIGD1A, : 9 interactors Detail

Experiments performed 9 experiments Detail

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NMR combined restraints 5 contents Detail