BMRBj - BMREntryMaster

	Total	¹H	¹³C	¹⁵N
All	75.5 % (579 of 767)	79.9 % (318 of 398)	69.0 % (198 of 287)	76.8 % (63 of 82)
Backbone	83.0 % (327 of 394)	96.3 % (131 of 136)	68.9 % (133 of 193)	96.9 % (63 of 65)
Sidechain	72.1 % (313 of 434)	71.4 % (187 of 262)	81.3 % (126 of 155)	0.0 % (0 of 17)
Aromatic	45.0 % (18 of 40)	70.0 % (14 of 20)	21.1 % (4 of 19)	0.0 % (0 of 1)
Methyl	83.0 % (73 of 88)	79.5 % (35 of 44)	86.4 % (38 of 44)

1. ThiS

MQILFNDQAM QCAAGQTVHE LLEQLDQRQA GAALAINQQI VPREQWAQHI VQDGDQILLF QVIAGG

Show sample condition

Sample #1

Temperature 298 (±1) K, pH 6.6 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	ThiS	[U-95% 15N]		0.8 mM

Sample #2

Temperature 298 (±1) K, pH 6.6 (±0.2)

#	Name	Isotope labeling	Type	Concentration
2	ThiS	[U-95% 15N; U-95% 13C]		1.0 mM

LACS Plot; CA

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

Referencing offset: -0.17 ppm, Outliers: 1 Detail

LACS Plot; CB

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

Referencing offset: -0.17 ppm, Outliers: 1 Detail

LACS Plot; HA

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

Referencing offset: -0.02 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 24 models in PDB: 1F0Z, Strand ID: A Detail

Release date

2001-02-14

Citation

Solution structure of ThiS and implications for the evolutionary roots of ubiquitin
Wang, C., Xi, J., Begley, T.P., Nicholson, L.K.
Nat. Struct. Biol. (2001), 8, 47-51, PubMed 11135670 , DOI 10.1038/83041 , Abstract

Related entities 1. ThiS, : 1 : 3 : 6 entities Detail

Interaction partners 1. ThiS, : 1 interactors Detail

More details for 1 interactors identified by 1 citations

Experiments performed 5 experiments Detail

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr4470_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: bmr4470_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	ThiS_cs	Warning	625		100.0 (chain: 1, length: 66)
1	Chemical shift references	chemical_shift_reference	OK	3		No information

Assigned chemical shifts

Saveframe: ThiS_cs
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 66, Sequence coverage: 100.0%
- Total number of assignments
  - ¹H chemical shifts: 376
  - ¹³C chemical shifts: 186
  - ¹⁵N chemical shifts: 63
- 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 (%)
¹H chemical shifts	398	310	77.9
¹³C chemical shifts	287	186	64.8
¹⁵N chemical shifts	84	63	75.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	136	131	96.3
¹³C chemical shifts	132	66	50.0
¹⁵N chemical shifts	65	63	96.9

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	262	179	68.3
¹³C chemical shifts	155	120	77.4
¹⁵N chemical shifts	19	0	0.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	46	33	71.7
¹³C chemical shifts	46	39	84.8

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	20	12	60.0
¹³C chemical shifts	19	0	0.0
¹⁵N chemical shifts	1	0	0.0

Keywords ThiS, NMR assignment, thiamin

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Found 1 Document (1.351 seconds)

BMRB: 4470

Sample #1

Sample #2

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. ThiS, : 1 : 3 : 6 entities Detail

Interaction partners 1. ThiS, : 1 interactors Detail

Experiments performed 5 experiments Detail

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Chemical shift validation 3 contents Detail