BMRBj - BMREntryMaster

Found 1 Document (2.248 seconds)

BMRB: 4930

1HI7

1H and 15N Chemical Shift Assignments for the homodimer of human TFF1

Authors

Williams, M.A., Westley, B.R., May, F.E.B., Feeney, J.

Assembly

Human Trefoil Factor Family 1 protein homodimer

Entity

1. Human Trefoil Factor Family 1 protein homodimer (polymer, Thiol state: free and disulfide bound), 60 monomers, 6674.330 × 2 Da Detail

EAQTETCTVA PRERQNCGFP GVTPSQCANK GCCFDDTVRG VPWCFYPNTI DVPPEEECEF

Total weight

13348.66 Da

Max. entity weight

6674.33 Da

Entity Connection

disulfide 3 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS7:SG	1:CYS33:SG
2	disulfide	sing	1:CYS17:SG	1:CYS32:SG
3	disulfide	sing	1:CYS27:SG	1:CYS44:SG

Source organism

Homo sapiens

Exptl. method

NMR

Refine. method

SIMULATED ANNEALING

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 98.3 %, Completeness (bb): 98.2 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹⁵N
All	98.3 % (398 of 405)	98.3 % (339 of 345)	98.3 % (59 of 60)
Backbone	98.2 % (167 of 170)	98.3 % (115 of 117)	98.1 % (52 of 53)
Sidechain	98.3 % (231 of 235)	98.2 % (224 of 228)	100.0 % (7 of 7)
Aromatic	100.0 % (31 of 31)	100.0 % (30 of 30)	100.0 % (1 of 1)
Methyl	100.0 % (21 of 21)	100.0 % (21 of 21)

1. Trefoil Factor Family 1

EAQTETCTVA PRERQNCGFP GVTPSQCANK GCCFDDTVRG VPWCFYPNTI DVPPEEECEF

Show sample condition

Sample

Temperature 298 (±1) K, pH 5.9 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	Trefoil Factor Family 1	U-95% 15N		2 mM
2	sodium phosphate			5 mM

Protein Blocks Logo

Calculated from 19 models in PDB: 1PS2, Strand ID: A Detail

Release date

2000-12-21

Citation 1

The solution structure of the disulphide-linked homodimer of the human trefoil protein TFF1
Williams, M.A., Westley, B.R., May, F.E.B., Feeney, J.
FEBS Lett. (2001), 493, 70-74, PubMed 11286998 , DOI: , Abstract

Show more 2 citaions

Citation 2

High-resolution solution structure of human pNR-2/pS2: a single trefoil motif protein
Polshakov, V.I., Williams, M.A., Gargaro, A.R., Frenkiel, T.A., Westley, B.R., Chadwick, M.P., May, F.E., Feeney, J.
J. Mol. Biol. (1997), 267, 418-432, PubMed 9096235 , DOI 10.1006/jmbi.1997.0896 , Abstract

Citation 3

NMR-based structural studies of the pNR-2/pS2 single domain trefoil peptide. Similarities to porcine spasmolytic peptide and evidence for a monomeric structure
Polshakov, V.I., Frenkiel, T.A., Westley, B., Chadwick, M., May, F., Carr, M.D., Feeney, J.
Eur. J. Biochem. (1995), 233, 847-855, PubMed 8521850 , DOI: , Abstract

Hide non-primary 2 citaions

Related entities 1. Human Trefoil Factor Family 1 protein homodimer, : 1 : 2 : 1 : 39 entities Detail

Interaction partners 1. Human Trefoil Factor Family 1 protein homodimer, : 16 interactors Detail

More details for 16 interactors identified by 5 citations

Experiments performed 5 experiments Detail

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr4930_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	1:33:CYS:SG	unknown	unknown	n/a
1:17:CYS:SG	1:32:CYS:SG	unknown	unknown	n/a
1:27:CYS:SG	1:44: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: bmr4930_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	shift_set_1	Warning	445		100.0 (chain: 1, length: 60)
1	Chemical shift references	chemical_shift_reference	OK	2		No information

Assigned chemical shifts

Saveframe: shift_set_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 60, Sequence coverage: 100.0%
- Total number of assignments
  - ¹H chemical shifts: 386
  - ¹⁵N chemical shifts: 59
- 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

Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
14	ARG	HH11	6.74
14	ARG	HH12	6.74
14	ARG	HH21	7.13
14	ARG	HH22	7.4
23	THR	HG1	5.41

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	345	339	98.3
¹⁵N chemical shifts	63	59	93.7

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	117	115	98.3
¹⁵N chemical shifts	53	52	98.1

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	228	224	98.2
¹⁵N chemical shifts	10	7	70.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	21	21	100.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	30	30	100.0
¹⁵N chemical shifts	1	1	100.0

Keywords TFF1, pNR-2, ps2, trefoil

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Found 1 Document (2.248 seconds)

BMRB: 4930

Sample

Related entities 1. Human Trefoil Factor Family 1 protein homodimer, : 1 : 2 : 1 : 39 entities Detail

Interaction partners 1. Human Trefoil Factor Family 1 protein homodimer, : 16 interactors Detail

Experiments performed 5 experiments Detail

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Chemical shift validation 3 contents Detail