BMRBj - BMREntryMaster

Found 1 Document (1.3 seconds)

BMRB: 6709

2JZS

1H, 15N, 13C resonance assignment of the N-terminal domain of PilB from Neisseria meningitidis

Authors

Beaufils, C., Neiers, F., Coudevylle, N., Boschi-Muller, S., Averlant-Petit, M., Branlant, G., Cung, M.

Assembly

Dsbe

Entity

1. Dsbe (polymer, Thiol state: all free), 144 monomers, 15829.93 Da Detail

MVPHTLSTLK TADNRPASVY LKKDKPTLIK FWASWCPLCL SELGQTEKWA QDAKFSSANL ITVASPGFLH EKKDGDFQKW YAGLNYPKLP VVTDNGGTIA QSLNISVYPS WALIGKDGDV QRIVKGSINE AQALALIRDP NADL

Formula weight

15829.93 Da

Source organism

Neisseria meningitidis

Exptl. method

NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 97.2 %, Completeness: 66.5 %, Completeness (bb): 93.5 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	66.5 % (1120 of 1684)	59.3 % (517 of 872)	72.1 % (475 of 659)	83.7 % (128 of 153)
Backbone	93.5 % (791 of 846)	88.9 % (256 of 288)	96.5 % (408 of 423)	94.1 % (127 of 135)
Sidechain	47.2 % (459 of 973)	44.7 % (261 of 584)	53.1 % (197 of 371)	5.6 % (1 of 18)
Aromatic	8.6 % (12 of 140)	8.6 % (6 of 70)	7.7 % (5 of 65)	20.0 % (1 of 5)
Methyl	68.6 % (118 of 172)	80.2 % (69 of 86)	57.0 % (49 of 86)

1. Dsbe

MVPHTLSTLK TADNRPASVY LKKDKPTLIK FWASWCPLCL SELGQTEKWA QDAKFSSANL ITVASPGFLH EKKDGDFQKW YAGLNYPKLP VVTDNGGTIA QSLNISVYPS WALIGKDGDV QRIVKGSINE AQALALIRDP NADL

Show sample condition

Sample

Temperature 298 (±0.1) K, pH 7 (±0.05)

#	Name	Isotope labeling	Type	Concentration
1	Dsbe	[U-99% 13C; U-99% 15N]		1 (±0.1) mM

LACS Plot; CA

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

Referencing offset: 0.1 ppm, Outliers: 1 Detail

LACS Plot; CB

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

Referencing offset: 0.1 ppm, Outliers: 1 Detail

LACS Plot; HA

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

Referencing offset: 0.01 ppm, Outliers: 3 Detail

LACS Plot; CO

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

Referencing offset: 0.24 ppm, Outliers: 2 Detail

Release date

2006-03-09

Citation

1H, 13C and 15N resonance assignment of the N-terminal domain of PilB from Neisseria meningitidis
Beaufils, C., Neiers, F., Coudevylle, N., Boschi-Muller, S., Averlant-Petit, M., Branlant, G., Cung, M.
J. Biomol. NMR (2006), 36 Suppl 1, 6-6, PubMed 16424993 , DOI 10.1007/s10858-005-4737-x , Abstract

Related entities 1. Dsbe, : 1 : 2 : 3 : 50 entities Detail

Experiments performed 5 experiments Detail

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr6709_3.str
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

Content subtype: bmr6709_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	chem_shift_list_1	Warning	1252		97.2 (chain: 1, length: 144)
1	Chemical shift references	chemical_shift_referencing	Warning	3		No information

Assigned chemical shifts

Saveframe: chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 144, Sequence coverage: 97.2%
- Total number of assignments
  - ¹³C chemical shifts: 469
  - ¹H chemical shifts: 656
  - ¹⁵N chemical shifts: 127
- Completeness of assignments
  - Entity_assemble_ID: 1
- Redox state of CYS
- Peptide bond of PRO
- 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: 1

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	371	189	50.9
¹H chemical shifts	584	254	43.5
¹⁵N chemical shifts	21	0	0.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	659	469	71.2
¹H chemical shifts	872	512	58.7
¹⁵N chemical shifts	156	127	81.4

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	288	280	97.2
¹H chemical shifts	288	258	89.6
¹⁵N chemical shifts	135	127	94.1

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Found 1 Document (1.3 seconds)

BMRB: 6709

Sample

Chemical shift reference

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. Dsbe, : 1 : 2 : 3 : 50 entities Detail

Experiments performed 5 experiments Detail

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Chemical shift validation 3 contents Detail