BMRBj - BMREntryMaster

Found 1 Document (0.488 seconds)

BMRB: 17914

2LJ2

Integral membrane core domain of the mercury transporter MerF in lipid bilayer membranes

Authors

Das, B.B., Nothnagel, H.J., Lu, G.J., Son, W., Park, S., Tian, Y.B., Marassi, F.M., Opella, S.J.

Assembly

MerFt

Entity

1. MerFt (polymer, Thiol state: not present), 60 monomers, 6278.423 Da Detail

IGTTLVALSS FTPVLVILLG VVGLSALTGY LDYVLLPALA IFIGLTIYAI QRKRQADASS

2. ANI (non-polymer, Thiol state: not present), 161.124 Da

Total weight

6439.547 Da

Max. entity weight

6278.423 Da

Source organism

Morganella morganii

Exptl. method

NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 93.3 %, Completeness: 49.6 %, Completeness (bb): 72.5 % Detail

Polymer type: polypeptide(L)

	Total	¹³C	¹⁵N
All	49.6 % (169 of 341)	40.6 % (114 of 281)	91.7 % (55 of 60)
Backbone	72.5 % (169 of 233)	65.1 % (114 of 175)	94.8 % (55 of 58)
Sidechain	2.5 % (4 of 163)	2.5 % (4 of 161)	0.0 % (0 of 2)
Aromatic	0.0 % (0 of 22)	0.0 % (0 of 22)
Methyl	1.7 % (1 of 60)	1.7 % (1 of 60)

1. MerFt

IGTTLVALSS FTPVLVILLG VVGLSALTGY LDYVLLPALA IFIGLTIYAI QRKRQADASS

Show sample condition

Sample

Solvent system H2O, Pressure 1 atm, Temperature 273 K, pH 6.1

#	Name	Isotope labeling	Type	Concentration
1	MerFt	[U-100% 13C; U-100% 15N]		3.6 mg
2	H2O	natural abundance		100.0 %

Protein Blocks Logo

Calculated from 10 models in PDB: 2LJ2, Strand ID: A Detail

Release date

2012-01-16

Citation

Structure determination of a membrane protein in proteoliposomes
Das, B.B., Nothnagel, H.J., Lu, G.J., Son, W., Tian, Y., Marassi, F.M., Opella, S.J.
J. Am. Chem. Soc. (2012), 134, 2047-2056, PubMed 22217388 , DOI 10.1021/ja209464f , Abstract

Related entities 1. MerFt, : 1 : 2 : 1 : 1 entities Detail

Experiments performed 1 experiments Detail

NMR combined restraints 3 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, RDC restraints	combined_17914_2lj2.nef
Input source #2: Coordindates	2lj2.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

------20--------30--------40--------50--------60--------70--
IGTTLVALSSFTPVLVILLGVVGLSALTGYLDYVLLPALAIFIGLTIYAIQRKRQADASS
||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
IGTTLVALSSFTPVLVILLGVVGLSALTGYLDYVLLPALAIFIGLTIYAIQRKRQADASS
--------10--------20--------30--------40--------50--------60

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	60	0	0	100.0

Content subtype: combined_17914_2lj2.nef

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	165		93.3 (chain: A, length: 60)
1	RDC restraints	CNS/XPLOR_dipolar_coupling_3	OK	80 (80)	.	90.0 (chain: A, length: 60)

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 60, Sequence coverage: 93.3%
- Total number of assignments
  - ¹³C chemical shifts: 110
  - 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 (%)
¹³C chemical shifts	281	110	39.1
¹⁵N chemical shifts	62	55	88.7

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	120	110	91.7
¹⁵N chemical shifts	58	55	94.8

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	161	0	0.0
¹⁵N chemical shifts	4	0	0.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	60	0	0.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	22	0	0.0

RDC restraints

Saveframe: CNS/XPLOR_dipolar_coupling_3
- Status: OK
- Experiment type: .
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 60, Sequence coverage: 90.0%
- Total number of restraints: 80
- Potential type of restraints: undefined (80)
- Range of observed RDC values: 100.0, -100.0 (Hz)
- RDC restraints per residue
  - Chain_ID: A
    None

Keywords lipid bilayers, membrane protein, mercury transporter

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Found 1 Document (0.488 seconds)

BMRB: 17914

Sample

Related entities 1. MerFt, : 1 : 2 : 1 : 1 entities Detail

Experiments performed 1 experiments Detail

Instrument

Sample

NMR combined restraints 3 contents Detail