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Found 1 Document (1.427 seconds)

BMRB: 4411

8V52

Backbone 1H and 15N Chemical Shift Assignments for Transforming Growth Factor beta

Authors

Bocharov, E.V., Blommers, M.J.J., Kuhla, J., Arvinte, T., Burgi, R., Arseniev, A.S.

Assembly

transforming growth factor beta3

Entity

1. transforming growth factor beta3 (polymer, Thiol state: all disulfide bound), 112 monomers, 12722.40 × 2 Da Detail

ALDTNYCFRN LEENCCVRPL YIDFRQDLGW KWVHEPKGYY ANFCSGPCPY LRSADTTHST VLGLYNTLNP EASASPCCVP QDLEPLTILY YVGRTPKVEQ LSNMVVKSCK CS

Total weight

25444.8 Da

Max. entity weight

12722.4 Da

Entity Connection

disulfide 9 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS7:SG	1:CYS16:SG
2	disulfide	sing	1:CYS15:SG	1:CYS78:SG
3	disulfide	sing	1:CYS44:SG	1:CYS109:SG
4	disulfide	sing	1:CYS48:SG	1:CYS111:SG
5	disulfide	sing	1:CYS7:SG	1:CYS16:SG
6	disulfide	sing	1:CYS15:SG	1:CYS78:SG
7	disulfide	sing	1:CYS44:SG	1:CYS109:SG
8	disulfide	sing	1:CYS48:SG	1:CYS111:SG
9	disulfide	sing	1:CYS77:SG	1:CYS77:SG

Source organism

Homo sapiens

Exptl. method

NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 91.1 %, Completeness: 42.1 %, Completeness (bb): 89.5 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹⁵N
All	42.1 % (332 of 789)	35.5 % (239 of 674)	80.9 % (93 of 115)
Backbone	89.5 % (289 of 323)	90.0 % (198 of 220)	88.3 % (91 of 103)
Sidechain	9.4 % (44 of 466)	9.3 % (42 of 454)	16.7 % (2 of 12)
Aromatic	6.2 % (4 of 65)	3.2 % (2 of 63)	100.0 % (2 of 2)
Methyl	10.7 % (6 of 56)	10.7 % (6 of 56)

1. human transforming growth factor beta3

ALDTNYCFRN LEENCCVRPL YIDFRQDLGW KWVHEPKGYY ANFCSGPCPY LRSADTTHST VLGLYNTLNP EASASPCCVP QDLEPLTILY YVGRTPKVEQ LSNMVVKSCK CS

Show sample condition

Sample

Temperature 313 (±0.5) K, pH 2.90 (±0.05), Details The TGF-beta3 sample contains water mixture of 8% dioxane-d8 and 3% methanol-d3.

#	Name	Isotope labeling	Concentration
1	human transforming growth factor beta3	[U-95% 15N]	1.0 mM
2	dioxane-d8		8 %
3	methanol-d3		3 %

Release date

2000-03-16

Citation 1

Sequence-specific 1H and 15N assignment and secondary structure of transforming growth factor beta3
Bocharov, E.V., Blommers, M.J.J., Kuhla, J., Arvinte, T., Burgi, R., Arseniev, A.S.
J. Biomol. NMR (2000), 16, 179-180, PubMed 10723998 , Abstract

Show more 1 citaion

Citation 2

The program XEASY for computer-supported NMR spectral analysis of biological macromolecules
J. Biomol. NMR (1995), 6, 1-10, PubMed 22911575 , DOI 10.1007/BF00417486 , Abstract

Hide non-primary 1 citaion

Related entities 1. transforming growth factor beta3, : 1 : 9 : 2 : 289 entities Detail

Interaction partners 1. transforming growth factor beta3, : 6 interactors Detail

More details for 6 interactors identified by 3 citations

Experiments performed 5 experiments Detail

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr4411_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)
1:7:CYS:SG	1:16:CYS:SG	unknown	unknown	n/a
1:15:CYS:SG	1:78:CYS:SG	unknown	unknown	n/a
1:44:CYS:SG	1:109:CYS:SG	unknown	unknown	n/a
1:48:CYS:SG	1:111:CYS:SG	unknown	unknown	n/a
2:7:CYS:SG	2:16:CYS:SG	unknown	unknown	n/a
2:15:CYS:SG	2:78:CYS:SG	unknown	unknown	n/a
2:44:CYS:SG	2:109:CYS:SG	unknown	unknown	n/a
2:48:CYS:SG	2:111:CYS:SG	unknown	unknown	n/a
1:77:CYS:SG	2:77:CYS:SG	unknown	unknown	n/a

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

None

Non-standard residues

None

Content subtype: bmr4411_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	chem_shift_set_1	Warning	286		90.2 (chain: 1, length: 112)
1	Chemical shift references	chem_shift_ref	OK	2		No information

Assigned chemical shifts

Saveframe: chem_shift_set_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 112, Sequence coverage: 90.2%
- Total number of assignments
  - ¹H chemical shifts: 196
  - ¹⁵N chemical shifts: 90
- Completeness of assignments
  - Entity_assemble_ID: 1
- 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	674	196	29.1
¹⁵N chemical shifts	120	90	75.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	220	194	88.2
¹⁵N chemical shifts	103	88	85.4

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	454	2	0.4
¹⁵N chemical shifts	17	2	11.8

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	57	0	0.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	63	2	3.2
¹⁵N chemical shifts	2	2	100.0

Keywords cytokine, NMR assignment, secondary structure, TGF-beta3

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Found 1 Document (1.427 seconds)

BMRB: 4411

Sample

Related entities 1. transforming growth factor beta3, : 1 : 9 : 2 : 289 entities Detail

Interaction partners 1. transforming growth factor beta3, : 6 interactors Detail

Experiments performed 5 experiments Detail

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Chemical shift validation 3 contents Detail