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Found 1 Document (1.332 seconds)

BMRB: 6621

1M4C

1H, 15N, and 13C Resonance Assignments of Human Interleukin-2

Authors

Fry, D.C., Emerson, S.D., Liu, C.M., Palermo, R.

Assembly

Interleukin-2

Entity

1. Interleukin-2 (polymer, Thiol state: free and disulfide bound), 133 monomers, 15417.82 Da Detail

APTSSSTKKT QLQLEHLLLD LQMILNGINN YKNPKLTRML TFKFYMPKKA TELKHLQCLE EELKPLEEVL NLAQSKNFHL RPRDLISNIN VIVLELKGSE TTFMCEYADE TATIVEFLNR WITFCQSIIS TLT

Formula weight

15417.82 Da

Entity Connection

disulfide 1 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS58:SG	1:CYS105:SG

Source organism

Homo sapiens

Exptl. method

NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 99.2 %, Completeness: 82.9 %, Completeness (bb): 82.1 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	82.9 % (1359 of 1640)	89.0 % (761 of 855)	71.1 % (456 of 641)	98.6 % (142 of 144)
Backbone	82.1 % (647 of 788)	96.2 % (253 of 263)	67.5 % (268 of 397)	98.4 % (126 of 128)
Sidechain	85.1 % (837 of 983)	85.8 % (508 of 592)	83.5 % (313 of 375)	100.0 % (16 of 16)
Aromatic	1.9 % (2 of 108)	1.9 % (1 of 54)	0.0 % (0 of 53)	100.0 % (1 of 1)
Methyl	98.3 % (173 of 176)	97.7 % (86 of 88)	98.9 % (87 of 88)

1. Interleukin-2

APTSSSTKKT QLQLEHLLLD LQMILNGINN YKNPKLTRML TFKFYMPKKA TELKHLQCLE EELKPLEEVL NLAQSKNFHL RPRDLISNIN VIVLELKGSE TTFMCEYADE TATIVEFLNR WITFCQSIIS TLT

Show sample condition

Sample

Temperature 313 (±0.1) K, pH 4.6 (±0.1)

#	Name	Isotope labeling	Concentration
1	Interleukin-2	[U-13C; U-15N]	0.4 mM
2	Sodium acetate	[U-99% 2H]	10 mM
3	Sodium azide		3 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	external	direct	1.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291

Referencing offset: 0.31 ppm, Outliers: 2 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	external	direct	1.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291

Referencing offset: 0.31 ppm, Outliers: 2 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	external	direct	1.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291

Referencing offset: 0.02 ppm, Outliers: 1 Detail

Release date

2005-08-31

Citation

1H, 15N, and 13C resonance assignments of human interleukin-2
Fry, D.C., Emerson, S.D., Liu, C.M., Palermo, R.
J. Biomol. NMR (2005), 32, 258-258, PubMed 16132828 , DOI 10.1007/s10858-005-7952-6 , Abstract

Related entities 1. Interleukin-2, : 1 : 11 : 13 : 41 entities Detail

Interaction partners 1. Interleukin-2, : 3 interactors Detail

More details for 3 interactors identified by 2 citations

Experiments performed 7 experiments Detail

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr6621_3.str
Diamagnetism of the molecular assembly	True (excluding Oxygen atoms)
Whether the assembly has a disulfide bond	True (see coordinates for details)
Whether the assembly has a other bond	None
Whether the assembly contains a cyclic polymer	None
Overall data processing status	Warning

Disulfide bonds

Ptnr_site_1	Ptnr_site_2	Redox_state_prediction_1	Redox_state_prediction_2	Distance (Å)
1:58:CYS:SG	1:105:CYS:SG	unknown, CA 55.97 ppm	unknown, CA 57.16 ppm	n/a

Other bonds (neither disulfide, covalent nor hydrogen bonds, e.g. Zinc–sulphur bond)

None

Non-standard residues

None

Content subtype: bmr6621_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	chem_shift_list_1	Warning	1558		100.0 (chain: 1, length: 133)
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: 133, Sequence coverage: 100.0%
- Total number of assignments
  - ¹H chemical shifts: 971
  - ¹³C chemical shifts: 445
  - ¹⁵N chemical shifts: 142
- 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	855	787	92.0
¹³C chemical shifts	641	445	69.4
¹⁵N chemical shifts	148	142	95.9

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	263	260	98.9
¹³C chemical shifts	266	130	48.9
¹⁵N chemical shifts	128	126	98.4

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	592	527	89.0
¹³C chemical shifts	375	315	84.0
¹⁵N chemical shifts	20	16	80.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	92	92	100.0
¹³C chemical shifts	92	92	100.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	54	1	1.9
¹³C chemical shifts	53	0	0.0
¹⁵N chemical shifts	1	1	100.0

Keywords IL-2, resonance assignments

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Found 1 Document (1.332 seconds)

BMRB: 6621

Sample

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. Interleukin-2, : 1 : 11 : 13 : 41 entities Detail

Interaction partners 1. Interleukin-2, : 3 interactors Detail

Experiments performed 7 experiments Detail

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Chemical shift validation 3 contents Detail