BMRBj - BMREntryMaster

Found 1 Document (1.173 seconds)

BMRB: 7192

2DSM

Backbone 1H, 13C, and 15N Chemical Shift Assignments for Bacillus Subilis YqaI Dimer

Authors

Ramelot, T.A., Kennedy, M.A.

Assembly

YqaI

Entity

1. YqaI (polymer, Thiol state: all free), 72 monomers, 8641.413 × 2 Da Detail

MVENPMVINN WHDKLTETDV QIDFYGDEVT PVDDYVIDGG EIILRENLER YLREQLGFEF KNAQLEHHHH HH

Total weight

17282.826 Da

Max. entity weight

8641.413 Da

Source organism

Bacillus subtilis

Exptl. method

NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 97.2 %, Completeness: 90.8 %, Completeness (bb): 93.2 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	90.8 % (785 of 865)	90.0 % (403 of 448)	91.4 % (309 of 338)	92.4 % (73 of 79)
Backbone	93.2 % (399 of 428)	92.5 % (135 of 146)	93.4 % (198 of 212)	94.3 % (66 of 70)
Sidechain	89.1 % (450 of 505)	88.7 % (268 of 302)	90.2 % (175 of 194)	77.8 % (7 of 9)
Aromatic	76.6 % (72 of 94)	76.6 % (36 of 47)	76.1 % (35 of 46)	100.0 % (1 of 1)
Methyl	94.7 % (72 of 76)	94.7 % (36 of 38)	94.7 % (36 of 38)

1. YqaI

MVENPMVINN WHDKLTETDV QIDFYGDEVT PVDDYVIDGG EIILRENLER YLREQLGFEF KNAQLEHHHH HH

Show sample condition

Sample

Temperature 298 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
1	YqaI	[U-100% 13C; U-100% 15N]	1 mM
2	MES		20 mM
3	NaCL		100 mM
4	DTT		10 mM

LACS Plot; CA

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

Referencing offset: -0.24 ppm, Outliers: 4 Detail

LACS Plot; CB

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

Referencing offset: -0.24 ppm, Outliers: 4 Detail

LACS Plot; HA

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

Referencing offset: -0.02 ppm, Outliers: 2 Detail

LACS Plot; CO

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

Referencing offset: 0.07 ppm, Outliers: 2 Detail

Release date

2006-08-10

Citation

NMR structure of YqaI from Bacillus sbutilis
Ramelot, T.A., Kennedy, M.A.

Related entities 1. YqaI, : 1 : 1 entities Detail

Experiments performed 7 experiments Detail

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr7192_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: bmr7192_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	chem_shift_list_1	Warning	863		95.8 (chain: 1, length: 72)
1	Chemical shift references	chemical_shift_referencing	OK	3		No information

Assigned chemical shifts

Saveframe: chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 72, Sequence coverage: 95.8%
- Total number of assignments
  - ¹³C chemical shifts: 306
  - ¹H chemical shifts: 482
  - ¹⁵N chemical shifts: 75
- Completeness of assignments
  - Entity_assemble_ID: 1
- Peptide bond of PRO
- Tautomeric state of HIS
- 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	338	306	90.5
¹H chemical shifts	448	408	91.1
¹⁵N chemical shifts	82	75	91.5

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	144	132	91.7
¹H chemical shifts	146	136	93.2
¹⁵N chemical shifts	70	65	92.9

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	194	174	89.7
¹H chemical shifts	302	272	90.1
¹⁵N chemical shifts	12	10	83.3

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	46	35	76.1
¹H chemical shifts	47	36	76.6
¹⁵N chemical shifts	1	1	100.0

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Found 1 Document (1.173 seconds)

BMRB: 7192

Sample

Chemical shift reference

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. YqaI, : 1 : 1 entities Detail

Experiments performed 7 experiments Detail

Instrument

Sample

Instrument

Sample

Instrument

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Instrument

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Instrument

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Chemical shift validation 3 contents Detail