BMRBj - BMREntryMaster

Found 1 Document (1.225 seconds)

BMRB: 4185

5OLL

1H Chemical Shift Assignments for Gurmarin

Authors

Fletcher, J.I., Dingley, A.J., King, G.F.

Assembly

gurmarin

Entity

1. gurmarin (polymer), 35 monomers, 4214.902 Da Detail

XQCVKKDELC IPYYLDCCEP LECKKVNWWD HKCIG

Formula weight

4214.902 Da

Entity Connection

disulfide 3 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS3:SG	1:CYS18:SG
2	disulfide	sing	1:CYS10:SG	1:CYS23:SG
3	disulfide	sing	1:CYS17:SG	1:CYS33:SG

Source organism

Gymnema sylvestre

Exptl. method

NMR

Refine. method

DISTANCE GEOMETRY AND DYNAMICAL SIMULATED ANNEALING

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 97.1 %, Completeness: 98.2 %, Completeness (bb): 97.0 % Detail

Polymer type: polypeptide(L)

	Total	¹H
All	98.2 % (218 of 222)	98.2 % (218 of 222)
Backbone	97.0 % (65 of 67)	97.0 % (65 of 67)
Sidechain	98.7 % (153 of 155)	98.7 % (153 of 155)
Aromatic	100.0 % (22 of 22)	100.0 % (22 of 22)
Methyl	100.0 % (14 of 14)	100.0 % (14 of 14)

1. gurmarin

XQCVKKDELC IPYYLDCCEP LECKKVNWWD HKCIG

Show sample condition

Sample

Temperature 298 K, pH 2.9, Details Low solubility near pI (4.5)

#	Name	Isotope labeling	Type	Concentration
1	gurmarin			2.5 mM

Protein Blocks Logo

Calculated from 20 models in PDB: 1C4E, Strand ID: A Detail

Release date

2008-07-15

Citation 1

High-resolution solution structure of gurmarin, a sweet-taste-suppressing plant polypeptide
Fletcher, J.I., Dingley, A.J., Smith, R., Connor, M., MacDonald, C.J., King, G.F.
Eur. J. Biochem. (1999), 264, 525-533, PubMed 10491100 , DOI: , Abstract

Show more 1 citaion

Citation 2

1H, 13C and 15N chemical shift referencing in biomolecular NMR
Wishart, D.S., Bigam, C.G., Yao, J., Abildgaard, F., Dyson, H.J., Oldfield, E., Markley, J.L., Sykes, B.D.
J. Biomol. NMR (1995), 6, 135-140, PubMed 8589602 , DOI: , Abstract

Hide non-primary 1 citaion

Related entities 1. gurmarin, : 1 : 3 : 8 entities Detail

Experiments performed 4 experiments Detail

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr4185_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)
1:3:CYS:SG	1:18:CYS:SG	unknown	unknown	n/a
1:10:CYS:SG	1:23:CYS:SG	unknown	unknown	n/a
1:17:CYS:SG	1:33:CYS:SG	unknown	unknown	n/a

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

None

Non-standard residues

Chain_ID	Seq_ID	Comp_ID	Chem_comp_name	Experimental evidences
1	1	PCA	PYROGLUTAMIC ACID	Assigned chemical shifts

Content subtype: bmr4185_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_one	Warning	268		100.0 (chain: 1, length: 35)
1	Chemical shift references	chemical_shift_reference_one	OK	1		No information

Assigned chemical shifts

Saveframe: assigned_chemical_shifts_one
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 35, Sequence coverage: 100.0%
- Total number of assignments
  - ¹H chemical shifts: 268
- 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)
5	LYS	HZ1	7.53
5	LYS	HZ2	7.53
5	LYS	HZ3	7.53
6	LYS	HZ1	7.57
6	LYS	HZ2	7.57
6	LYS	HZ3	7.57
24	LYS	HZ1	7.53
24	LYS	HZ2	7.53
24	LYS	HZ3	7.53
25	LYS	HZ1	7.27
25	LYS	HZ2	7.27
25	LYS	HZ3	7.27

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Found 1 Document (1.225 seconds)

BMRB: 4185

Sample

Related entities 1. gurmarin, : 1 : 3 : 8 entities Detail

Experiments performed 4 experiments Detail

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Chemical shift validation 3 contents Detail