BMRBj - BMREntryMaster

	Total	¹H	¹³C	¹⁵N
All	88.5 % (370 of 418)	83.9 % (172 of 205)	93.1 % (161 of 173)	92.5 % (37 of 40)
Backbone	94.1 % (209 of 222)	90.8 % (69 of 76)	96.3 % (105 of 109)	94.6 % (35 of 37)
Sidechain	84.8 % (196 of 231)	79.8 % (103 of 129)	91.9 % (91 of 99)	66.7 % (2 of 3)
Aromatic	85.7 % (36 of 42)	85.7 % (18 of 21)	84.2 % (16 of 19)	100.0 % (2 of 2)
Methyl	92.9 % (65 of 70)	91.4 % (32 of 35)	94.3 % (33 of 35)

1. PRLRTMD

GSFTMNDTTV WISVAVLSAV ICLIIVWAVA LKGYSMV

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 7.2, Details DHPC micelles

#	Name	Isotope labeling	Concentration
1	PRLRTMD	[U-13C; U-15N]	0.8 mM
2	DSS	natural abundance	2 mM
3	sodium azide	natural abundance	0.05 %
4	DHPC	natural abundance	560 mM
5	sodium phosphate	natural abundance	20 mM
6	TCEP	natural abundance	4 mM
7	sodium chloride	natural abundance	50 mM
8	H2O	natural abundance	90 %
9	D2O	natural abundance	10 %

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 7.2, Details DHPC micelles

#	Name	Isotope labeling	Concentration
10	PRLRTMD	[U-13C; U-15N]	1 mM
11	DSS	natural abundance	2 mM
12	sodium azide	natural abundance	0.05 %
13	DHPC	[U-2H]	700 mM
14	sodium phosphate	natural abundance	20 mM
15	TCEP	natural abundance	4 mM
16	sodium chloride	natural abundance	50 mM
17	H2O	natural abundance	90 %
18	D2O	natural abundance	10 %

Sample #3

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 7.2

#	Name	Isotope labeling	Concentration
19	PRLRTMD	[U-15N]	0.7 mM
20	DSS	natural abundance	2 mM
21	sodium azide	natural abundance	0.05 %
22	DHPC	natural abundance	490 mM
23	sodium phosphate	natural abundance	20 mM
24	TCEP	natural abundance	4 mM
25	sodium chloride	natural abundance	50 mM
26	H2O	natural abundance	90 %
27	D2O	natural abundance	10 %

Protein Blocks Logo

Calculated from 10 models in PDB: 2N7I, Strand ID: A Detail

Release date

2016-05-22

Citation

A combined computational and structural model of the full-length human prolactin receptor
Bugge, K., Papaleo, E., Haxholm, G.W., Hopper, J.TS., Dagil, R., Robinson, C.V., Olsen, J.G., Lindorff-Larsen, K., Kragelund, B.B.
Nat. Commun. (2016), 7, 11578-11578, PubMed 27174498 , DOI 10.1038/ncomms11578 , Abstract

Related entities 1. prolactin receptor transmembrane domain, : 1 : 2 : 13 entities Detail

Interaction partners 1. prolactin receptor transmembrane domain, : 5 interactors Detail

More details for 5 interactors identified by 4 citations

Experiments performed 11 experiments Detail

1 2D 1H-15N HSQC

Instrument

Varian INOVA - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 7.2, Details DHPC micelles

#	Name	Isotope labeling	Concentration
10	PRLRTMD	[U-13C; U-15N]	1 mM
11	DSS	natural abundance	2 mM
12	sodium azide	natural abundance	0.05 %
13	DHPC	[U-2H]	700 mM
14	sodium phosphate	natural abundance	20 mM
15	TCEP	natural abundance	4 mM
16	sodium chloride	natural abundance	50 mM
17	H2O	natural abundance	90 %
18	D2O	natural abundance	10 %

2 3D HNHA

Instrument

Varian INOVA - 750 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 7.2

#	Name	Isotope labeling	Concentration
19	PRLRTMD	[U-15N]	0.7 mM
20	DSS	natural abundance	2 mM
21	sodium azide	natural abundance	0.05 %
22	DHPC	natural abundance	490 mM
23	sodium phosphate	natural abundance	20 mM
24	TCEP	natural abundance	4 mM
25	sodium chloride	natural abundance	50 mM
26	H2O	natural abundance	90 %
27	D2O	natural abundance	10 %

3 2D 1H-15N HSQC

Instrument

Varian INOVA - 750 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 7.2

#	Name	Isotope labeling	Concentration
19	PRLRTMD	[U-15N]	0.7 mM
20	DSS	natural abundance	2 mM
21	sodium azide	natural abundance	0.05 %
22	DHPC	natural abundance	490 mM
23	sodium phosphate	natural abundance	20 mM
24	TCEP	natural abundance	4 mM
25	sodium chloride	natural abundance	50 mM
26	H2O	natural abundance	90 %
27	D2O	natural abundance	10 %

4 2D 1H-15N HSQC

Instrument

Bruker Avance - 900 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 7.2, Details DHPC micelles

#	Name	Isotope labeling	Concentration
1	PRLRTMD	[U-13C; U-15N]	0.8 mM
2	DSS	natural abundance	2 mM
3	sodium azide	natural abundance	0.05 %
4	DHPC	natural abundance	560 mM
5	sodium phosphate	natural abundance	20 mM
6	TCEP	natural abundance	4 mM
7	sodium chloride	natural abundance	50 mM
8	H2O	natural abundance	90 %
9	D2O	natural abundance	10 %

5 2D 1H-15N HSQC

Instrument

Bruker Avance - 900 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 7.2, Details DHPC micelles

#	Name	Isotope labeling	Concentration
10	PRLRTMD	[U-13C; U-15N]	1 mM
11	DSS	natural abundance	2 mM
12	sodium azide	natural abundance	0.05 %
13	DHPC	[U-2H]	700 mM
14	sodium phosphate	natural abundance	20 mM
15	TCEP	natural abundance	4 mM
16	sodium chloride	natural abundance	50 mM
17	H2O	natural abundance	90 %
18	D2O	natural abundance	10 %

6 3D HNCO

Instrument

Bruker Avance - 900 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 7.2, Details DHPC micelles

#	Name	Isotope labeling	Concentration
1	PRLRTMD	[U-13C; U-15N]	0.8 mM
2	DSS	natural abundance	2 mM
3	sodium azide	natural abundance	0.05 %
4	DHPC	natural abundance	560 mM
5	sodium phosphate	natural abundance	20 mM
6	TCEP	natural abundance	4 mM
7	sodium chloride	natural abundance	50 mM
8	H2O	natural abundance	90 %
9	D2O	natural abundance	10 %

7 3D HNCACB

Instrument

Bruker Avance - 900 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 7.2, Details DHPC micelles

#	Name	Isotope labeling	Concentration
1	PRLRTMD	[U-13C; U-15N]	0.8 mM
2	DSS	natural abundance	2 mM
3	sodium azide	natural abundance	0.05 %
4	DHPC	natural abundance	560 mM
5	sodium phosphate	natural abundance	20 mM
6	TCEP	natural abundance	4 mM
7	sodium chloride	natural abundance	50 mM
8	H2O	natural abundance	90 %
9	D2O	natural abundance	10 %

8 3D CBCA(CO)NH

Instrument

Bruker Avance - 900 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 7.2, Details DHPC micelles

#	Name	Isotope labeling	Concentration
1	PRLRTMD	[U-13C; U-15N]	0.8 mM
2	DSS	natural abundance	2 mM
3	sodium azide	natural abundance	0.05 %
4	DHPC	natural abundance	560 mM
5	sodium phosphate	natural abundance	20 mM
6	TCEP	natural abundance	4 mM
7	sodium chloride	natural abundance	50 mM
8	H2O	natural abundance	90 %
9	D2O	natural abundance	10 %

9 3D 1H-15N NOESY

Instrument

Bruker Avance - 900 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 7.2, Details DHPC micelles

#	Name	Isotope labeling	Concentration
10	PRLRTMD	[U-13C; U-15N]	1 mM
11	DSS	natural abundance	2 mM
12	sodium azide	natural abundance	0.05 %
13	DHPC	[U-2H]	700 mM
14	sodium phosphate	natural abundance	20 mM
15	TCEP	natural abundance	4 mM
16	sodium chloride	natural abundance	50 mM
17	H2O	natural abundance	90 %
18	D2O	natural abundance	10 %

10 2D 1H-13C HSQC aliphatic

Instrument

Varian INOVA - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 7.2, Details DHPC micelles

#	Name	Isotope labeling	Concentration
10	PRLRTMD	[U-13C; U-15N]	1 mM
11	DSS	natural abundance	2 mM
12	sodium azide	natural abundance	0.05 %
13	DHPC	[U-2H]	700 mM
14	sodium phosphate	natural abundance	20 mM
15	TCEP	natural abundance	4 mM
16	sodium chloride	natural abundance	50 mM
17	H2O	natural abundance	90 %
18	D2O	natural abundance	10 %

11 2D 1H-13C HSQC aromatic

Instrument

Bruker Avance - 900 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 7.2, Details DHPC micelles

#	Name	Isotope labeling	Concentration
10	PRLRTMD	[U-13C; U-15N]	1 mM
11	DSS	natural abundance	2 mM
12	sodium azide	natural abundance	0.05 %
13	DHPC	[U-2H]	700 mM
14	sodium phosphate	natural abundance	20 mM
15	TCEP	natural abundance	4 mM
16	sodium chloride	natural abundance	50 mM
17	H2O	natural abundance	90 %
18	D2O	natural abundance	10 %

NMR combined restraints 5 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints	combined_25806_2n7i.nef
Input source #2: Coordindates	2n7i.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

----210-------220-------230-------240
GSFTMNDTTVWISVAVLSAVICLIIVWAVALKGYSMV
|||||||||||||||||||||||||||||||||||||
GSFTMNDTTVWISVAVLSAVICLIIVWAVALKGYSMV
--------10--------20--------30-------

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	37	0	0	100.0

Content subtype: combined_25806_2n7i.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	374		97.3 (chain: A, length: 37)
1	Distance restraints	DYANA/DIANA_distance_constraints_4	OK	687 (1)	noe	94.6 (chain: A, length: 37)
2	Distance restraints	CNS/XPLOR_distance_constraints_3	OK	13 (1)	hbond	43.2 (chain: A, length: 37)
1	Dihedral angle restraints	CNS/XPLOR_dihedral_2	OK	68 (68)	.	70.3 (chain: A, length: 37)

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 37, Sequence coverage: 97.3%
- Total number of assignments
  - ¹³C chemical shifts: 161
  - ¹H chemical shifts: 176
  - ¹⁵N chemical shifts: 37
- Completeness of assignments
  - Entity_assemble_ID: A
- Redox state of CYS
- 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	173	161	93.1
¹H chemical shifts	205	176	85.9
¹⁵N chemical shifts	40	37	92.5

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	74	70	94.6
¹H chemical shifts	76	71	93.4
¹⁵N chemical shifts	37	35	94.6

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	99	91	91.9
¹H chemical shifts	129	105	81.4
¹⁵N chemical shifts	3	2	66.7

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	37	33	89.2
¹H chemical shifts	37	33	89.2

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	19	16	84.2
¹H chemical shifts	21	18	85.7
¹⁵N chemical shifts	2	2	100.0

Distance restraints

Saveframe: DYANA/DIANA_distance_constraints_4
- Status: OK
- Experiment type: noe
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 37, Sequence coverage: 94.6%
- Total number of restraints: 687
- Weight of restraints: 1.0 (687)
- Potential type of restraints: upper-bound-parabolic (687)
- Range of distance target values: 1.98, 7.16 (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_3
  - Status: OK
  - Experiment type: hbond
  - Sequence coverage of experimental data
    - Entity_assembly_ID: A, Chain length: 37, Sequence coverage: 43.2%
  - Total number of restraints: 13
  - Weight of restraints: 1.0 (13)
  - Potential type of restraints: square-well-parabolic (13)
  - Range of distance target values: 2.21, 2.21 (Å)
  - 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: 37, Sequence coverage: 70.3%
- Total number of restraints: 68
- Total number of restraints per polymer type: 68
- Weight of restraints: 1.0 (68)
- Potential type of restraints: square-well-parabolic (68)
- Plot of Phi-Psi angle restraints
- Dihedral angle restraints per residue
  - Chain_ID: A

Keywords helix, membrane protein, nmr, prolactin receptor, transmembrane domain

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BMRB: 25806

Sample #1

Sample #2

Sample #3

Related entities 1. prolactin receptor transmembrane domain, : 1 : 2 : 13 entities Detail

Interaction partners 1. prolactin receptor transmembrane domain, : 5 interactors Detail

Experiments performed 11 experiments Detail

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NMR combined restraints 5 contents Detail