BMRBj - BMREntryMaster

Found 1 Document (3.428 seconds)

BMRB: 6466

8J1P

Internal Dynamics of Human Ubiquitin Revealed by 13C-Relaxation Studies of Randomly Fractionally Labeled Protein

Authors

Wand, A.JOSHUA., Urbauer, J.L., McEvoy, R.P., Bieber, R.J.

Assembly

Ubiquitin

Entity

1. Ubiquitin (polymer, Thiol state: not present), 76 monomers, 8564.731 Da Detail

MQIFVKTLTG KTITLEVEPS DTIENVKAKI QDKEGIPPDQ QRLIFAGKQL EDGRTLSDYN IQKESTLHLV LRLRGG

Formula weight

8564.731 Da

Source organism

Homo sapiens

Exptl. method

NMR

Data set

assigned_chemical_shifts, heteronucl_NOEs, heteronucl_T1_relaxation, order_parameters

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 91.3 %, Completeness (bb): 98.4 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	91.3 % (830 of 909)	90.6 % (433 of 478)	92.9 % (325 of 350)	88.9 % (72 of 81)
Backbone	98.4 % (443 of 450)	99.4 % (154 of 155)	97.7 % (217 of 222)	98.6 % (72 of 73)
Sidechain	86.2 % (456 of 529)	86.4 % (279 of 323)	89.4 % (177 of 198)	0.0 % (0 of 8)
Aromatic	0.0 % (0 of 32)	0.0 % (0 of 16)	0.0 % (0 of 16)
Methyl	100.0 % (98 of 98)	100.0 % (49 of 49)	100.0 % (49 of 49)

1. Ubiquitin

MQIFVKTLTG KTITLEVEPS DTIENVKAKI QDKEGIPPDQ QRLIFAGKQL EDGRTLSDYN IQKESTLHLV LRLRGG

Show sample condition

Sample #1

Temperature 303 (±0) K

#	Name	Isotope labeling	Concentration
1	Ubiquitin	[U-15N; U-13C]	2.0 ~ 4.0 mM
2	kPO4		50 mM
3	D2O		10 %
4	H2O		90 %

Sample #2

Temperature 303 (±0) K

#	Name	Isotope labeling	Concentration
5	Ubiquitin	[U-15N; U-13C]	2.0 ~ 4.0 mM
6	kPO4		50 mM
7	D2O		100 %

LACS Plot; CA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	neat TMS	methyl carbons	2.86 ppm	external	direct	0.0
¹H	TMS	methyl protons	0.0 ppm	internal	direct	1.0
¹⁵N	15N4Cl in 1M HCl	nitrogen	24.93 ppm	external	direct	0.0

Referencing offset: -0.37 ppm, Outliers: 1 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	neat TMS	methyl carbons	2.86 ppm	external	direct	0.0
¹H	TMS	methyl protons	0.0 ppm	internal	direct	1.0
¹⁵N	15N4Cl in 1M HCl	nitrogen	24.93 ppm	external	direct	0.0

Referencing offset: -0.37 ppm, Outliers: 1 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	neat TMS	methyl carbons	2.86 ppm	external	direct	0.0
¹H	TMS	methyl protons	0.0 ppm	internal	direct	1.0
¹⁵N	15N4Cl in 1M HCl	nitrogen	24.93 ppm	external	direct	0.0

Referencing offset: -0.12 ppm, Outliers: 1 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	neat TMS	methyl carbons	2.86 ppm	external	direct	0.0
¹H	TMS	methyl protons	0.0 ppm	internal	direct	1.0
¹⁵N	15N4Cl in 1M HCl	nitrogen	24.93 ppm	external	direct	0.0

Referencing offset: -0.75 ppm, Outliers: 2 Detail

Heteronucl. T₁

202 T₁ values in 4 lists
Coherence Sz, Field strength (¹H) 750 MHz, 500 MHz, Temperature 303 (±0) K Detail

Heteronucl. NOE

93 NOE values in 2 lists
Value type peak integral, Field strength (¹H) 500 MHz, Temperature 303 (±0) K Detail

Order parameters

100 S² values in 3 lists
Temperature 303 (±0) K Detail

Release date

2011-08-10

Citation

Internal dynamics of human ubiquitin revealed by 13C-relaxation studies of randomly fractionally labeled protein
Wand, A.JOSHUA., Urbauer, J.L., McEvoy, R.P., Bieber, R.J.
Biochemistry (1996), 35, 6116-6125, PubMed 8634254 , DOI 10.1021/bi9530144 , Abstract

Related entities 1. Ubiquitin, : 1 : 292 : 11 : 71 : 321 entities Detail

Interaction partners 1. Ubiquitin, : 27 interactors Detail

More details for 27 interactors identified by 16 citations

Experiments performed 5 experiments Detail

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts, Heteronucl NOE exptl data, Heteronucl T1 relaxation data, Order parameter relaxation analysis	bmr6466_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: bmr6466_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	chem_shift_list_1	Warning	928		100.0 (chain: 1, length: 76)
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: 76, Sequence coverage: 100.0%
- Total number of assignments
  - ¹H chemical shifts: 531
  - ¹³C chemical shifts: 325
  - ¹⁵N chemical shifts: 72
- Completeness of assignments
  - Entity_assemble_ID: 1
- 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	478	433	90.6
¹³C chemical shifts	350	325	92.9
¹⁵N chemical shifts	85	72	84.7

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	155	154	99.4
¹³C chemical shifts	152	148	97.4
¹⁵N chemical shifts	73	72	98.6

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	323	279	86.4
¹³C chemical shifts	198	177	89.4
¹⁵N chemical shifts	12	0	0.0

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Found 1 Document (3.428 seconds)

BMRB: 6466

Sample #1

Sample #2

Chemical shift reference

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. Ubiquitin, : 1 : 292 : 11 : 71 : 321 entities Detail

Interaction partners 1. Ubiquitin, : 27 interactors Detail

Experiments performed 5 experiments Detail

Instrument

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Chemical shift validation 3 contents Detail