BMRBj - BMREntryMaster

Found 1 Document (1.489 seconds)

BMRB: 27573

6J4I

Backbone and side chain chemical shifts assignments of uniformly labeled 13C, 15N SUMO1-F64L

Authors

Das, R., Chatterjee, K.

Assembly

SUMO1 F64L

Entity

1. SUMO1 F64L (polymer, Thiol state: all free), 109 monomers, 12496.86 Da Detail

MRGSHHHHHH GSMSDQEAKP STEDLGDKKE GEYIKLKVIG QDSSEIHFKV KMTTHLKKLK ESYCQRQGVP MNSLRLLFEG QRIADNHTPK ELGMEEEDVI EVYQEQTGG

Formula weight

12496.86 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 86.2 %, Completeness: 60.7 %, Completeness (bb): 64.8 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	60.7 % (776 of 1279)	65.4 % (442 of 676)	50.4 % (246 of 488)	76.5 % (88 of 115)
Backbone	64.8 % (420 of 648)	76.0 % (171 of 225)	50.8 % (161 of 317)	83.0 % (88 of 106)
Sidechain	58.1 % (424 of 730)	60.1 % (271 of 451)	56.7 % (153 of 270)	0.0 % (0 of 9)
Aromatic	45.0 % (36 of 80)	50.0 % (20 of 40)	40.0 % (16 of 40)
Methyl	65.1 % (56 of 86)	76.7 % (33 of 43)	53.5 % (23 of 43)

1. SUMO1 F64L

MRGSHHHHHH GSMSDQEAKP STEDLGDKKE GEYIKLKVIG QDSSEIHFKV KMTTHLKKLK ESYCQRQGVP MNSLRLLFEG QRIADNHTPK ELGMEEEDVI EVYQEQTGG

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8

#	Name	Isotope labeling	Concentration
1	SUMO1 F64L	[U-100% 13C; U-100% 15N]	225 uM
2	DTT	natural abundance	2 mM
3	Phosphate buffer	natural abundance	25 mM
4	NaCl	natural abundance	50 mM

LACS Plot; CA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	water	protons	4.7 ppm	internal	indirect	0.2514495
¹H	water	protons	4.7 ppm	internal	direct	1.0
¹⁵N	water	protons	4.7 ppm	internal	indirect	0.1013291

Referencing offset: 2.55 ppm, Outliers: 1 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	water	protons	4.7 ppm	internal	indirect	0.2514495
¹H	water	protons	4.7 ppm	internal	direct	1.0
¹⁵N	water	protons	4.7 ppm	internal	indirect	0.1013291

Referencing offset: 2.55 ppm, Outliers: 1 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	water	protons	4.7 ppm	internal	indirect	0.2514495
¹H	water	protons	4.7 ppm	internal	direct	1.0
¹⁵N	water	protons	4.7 ppm	internal	indirect	0.1013291

Referencing offset: 0.04 ppm, Outliers: 2 Detail

Release date

2018-08-07

Citation

A conserved and buried edge-to-face aromatic interaction in small ubiquitin-like modifier (SUMO) has a role in SUMO stability and function
Chatterjee, K.S., Tripathi, V., Das, R.
J. Biol. Chem. (2019), 294, 6772-6784, PubMed 30824543 , DOI 10.1074/jbc.RA118.006642 , Abstract

Related entities 1. SUMO1 F64L, : 1 : 29 : 38 entities Detail

Interaction partners 1. SUMO1 F64L, : 123 interactors Detail

More details for 123 interactors identified by 62 citations

Experiments performed 6 experiments Detail

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr27573_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: bmr27573_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	755		85.3 (chain: 1, length: 109)
1	Chemical shift references	chemical_shift_reference_1	OK	3		No information

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 109, Sequence coverage: 85.3%
- Total number of assignments
  - ¹H chemical shifts: 472
  - ¹³C chemical shifts: 197
  - ¹⁵N chemical shifts: 86
- Completeness of assignments
  - Entity_assemble_ID: 1
- Redox state of CYS
- 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 (%)
¹H chemical shifts	676	408	60.4
¹³C chemical shifts	488	197	40.4
¹⁵N chemical shifts	119	86	72.3

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	225	161	71.6
¹³C chemical shifts	218	68	31.2
¹⁵N chemical shifts	106	86	81.1

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	451	247	54.8
¹³C chemical shifts	270	129	47.8
¹⁵N chemical shifts	13	0	0.0

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Found 1 Document (1.489 seconds)

BMRB: 27573

Sample

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. SUMO1 F64L, : 1 : 29 : 38 entities Detail

Interaction partners 1. SUMO1 F64L, : 123 interactors Detail

Experiments performed 6 experiments Detail

Instrument

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Instrument

Sample

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Sample

Instrument

Sample

Instrument

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Chemical shift validation 3 contents Detail