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Found 1 Document (1.28 seconds)

BMRB: 4843

1GA3

Secondary Structure and Backbone Resonance Assignments for Human Interleukin-13

Authors

Eisenmesser, E.Z., Horita, D.A., Byrd, R.ANDREW.

Assembly

Interleukin-13

Entity

1. Interleukin-13 (polymer, Thiol state: all disulfide bound), 113 monomers, 12401.31 Da Detail

GGPVPPSTAL RELIEELVNI TQNQKAPLCN GSMVWSINLT AGMYCAALES LINVSGCSAI EKTQRMLSGF CPHKVSAGQF SSLHVRDTKI EVAQFVKDLL LHLKKLFREG RFN

Formula weight

12401.31 Da

Entity Connection

disulfide 2 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	0:CYS29:SG	1:CYS57:SG
2	disulfide	sing	0:CYS45:SG	1:CYS71:SG

Source organism

Homo sapiens

Exptl. method

NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 88.5 %, Completeness (bb): 97.2 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	88.5 % (1162 of 1313)	86.5 % (590 of 682)	90.2 % (461 of 511)	92.5 % (111 of 120)
Backbone	97.2 % (649 of 668)	98.3 % (225 of 229)	96.4 % (319 of 331)	97.2 % (105 of 108)
Sidechain	82.4 % (618 of 750)	80.6 % (365 of 453)	86.7 % (247 of 285)	50.0 % (6 of 12)
Aromatic	41.5 % (34 of 82)	41.5 % (17 of 41)	42.5 % (17 of 40)	0.0 % (0 of 1)
Methyl	97.1 % (134 of 138)	97.1 % (67 of 69)	97.1 % (67 of 69)

1. Interleukin-13

GGPVPPSTAL RELIEELVNI TQNQKAPLCN GSMVWSINLT AGMYCAALES LINVSGCSAI EKTQRMLSGF CPHKVSAGQF SSLHVRDTKI EVAQFVKDLL LHLKKLFREG RFN

Show sample condition

Sample

Temperature 298 (±1) K, pH 6.1 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	Interleukin-13	[U-13C; U-15N]		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	0.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291
¹³C	DSS	methyl protons	null	indirect	0.2514495

Referencing offset: -0.29 ppm, Outliers: 2 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹H	DSS	methyl protons	internal	direct	0.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291
¹³C	DSS	methyl protons	null	indirect	0.2514495

Referencing offset: -0.29 ppm, Outliers: 2 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹H	DSS	methyl protons	internal	direct	0.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291
¹³C	DSS	methyl protons	null	indirect	0.2514495

Referencing offset: -0.03 ppm, Outliers: 4 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹H	DSS	methyl protons	internal	direct	0.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291
¹³C	DSS	methyl protons	null	indirect	0.2514495

Referencing offset: -0.13 ppm, Outliers: 4 Detail

Release date

2001-02-13

Citation

Secondary structure and backbone resonance assignments for human interleukin-13
Eisenmesser, E.Z., Horita, D.A., Byrd, R.ANDREW.
J. Biomol. NMR (2001), 19, 93-94, PubMed 11246865 , DOI: , Abstract

Related entities 1. Interleukin-13, : 1 : 12 : 19 entities Detail

Interaction partners 1. Interleukin-13, : 4 interactors Detail

More details for 4 interactors identified by 2 citations

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr4843_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)
1:29:CYS:SG	1:57:CYS:SG	oxidized, CA 53.28, CB 34.19 ppm	oxidized, CA 52.33, CB 39.27 ppm	n/a
1:45:CYS:SG	1:71:CYS:SG	oxidized, CA 57.49, CB 40.58 ppm	oxidized, CA 53.05, CB 43.72 ppm	n/a

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

None

Non-standard residues

None

Content subtype: bmr4843_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	shift_set_1	Warning	1269		100.0 (chain: 1, length: 113)
1	Chemical shift references	chemical_shift_reference	OK	3		No information

Assigned chemical shifts

Saveframe: shift_set_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 113, Sequence coverage: 100.0%
- Total number of assignments
  - ¹³C chemical shifts: 452
  - ¹⁵N chemical shifts: 111
  - ¹H chemical shifts: 706
- 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 (%)
¹³C chemical shifts	511	452	88.5
¹⁵N chemical shifts	125	111	88.8
¹H chemical shifts	682	572	83.9

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	226	210	92.9
¹⁵N chemical shifts	108	105	97.2
¹H chemical shifts	229	221	96.5

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	285	242	84.9
¹⁵N chemical shifts	17	6	35.3
¹H chemical shifts	453	351	77.5

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	72	67	93.1
¹H chemical shifts	72	67	93.1

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	40	17	42.5
¹⁵N chemical shifts	1	0	0.0
¹H chemical shifts	41	17	41.5

Keywords hIL-13, Interleukin-13, four-helix-bundle, 4-helix, cytokine

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Found 1 Document (1.28 seconds)

BMRB: 4843

Sample

Chemical shift reference

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. Interleukin-13, : 1 : 12 : 19 entities Detail

Interaction partners 1. Interleukin-13, : 4 interactors Detail

Chemical shift validation 3 contents Detail