BMRBj - BMREntryMaster

Found 1 Document (0.988 seconds)

BMRB: 15175

2P4L

proton and alpha-carbon chemical shift of [D-Phe44]iota-RXIA

Authors

Buczek, O., Wei, D., Babon, J.J., Yang, X., Fiedler, B., Yoshikami, D., Olivera, B.M., Bulaj, G., Norton, R.S.

Assembly

[D-Phe44]iota-RXIA

Entity

1. [D-Phe44]iota-RXIA (polymer, Thiol state: all disulfide bound), 46 monomers, 4983.634 Da Detail

GXSFCKADEK XCEYHADCCN CCLSGICAXS TNWILPGCST SSFFKI

Formula weight

4983.634 Da

Entity Connection

disulfide 4 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS5:SG	1:CYS19:SG
2	disulfide	sing	1:CYS12:SG	1:CYS22:SG
3	disulfide	sing	1:CYS18:SG	1:CYS27:SG
4	disulfide	sing	1:CYS21:SG	1:CYS38:SG

Source organism

Conus radiatus

Exptl. method

solution NMR

Data set

assigned_chemical_shifts, coupling_constants

Chem. Shift Complete

Sequence coverage: 93.5 %, Completeness: 92.2 %, Completeness (bb): 96.9 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹⁵N
All	92.2 % (260 of 282)	93.2 % (221 of 237)	86.7 % (39 of 45)
Backbone	96.9 % (126 of 130)	98.9 % (87 of 88)	92.9 % (39 of 42)
Sidechain	88.2 % (134 of 152)	89.9 % (134 of 149)	0.0 % (0 of 3)
Aromatic	71.4 % (20 of 28)	74.1 % (20 of 27)	0.0 % (0 of 1)
Methyl	93.3 % (14 of 15)	93.3 % (14 of 15)

1. [D-Phe44]iota-RXIA

GXSFCKADEK XCEYHADCCN CCLSGICAXS TNWILPGCST SSFFKI

Show sample condition

Sample

Pressure 1 atm, Temperature 298 K, pH 5.9

#	Name	Isotope labeling	Type	Concentration
1	[D-Phe44]iota-RXIA	natural abundance		0.8 mM

Coupling constant

33 J values in 1 lists
Pressure 1 atm, Temperature 298 K, pH 5.9 Detail

Release date

2007-10-23

Citation

Structure and sodium channel activity of an excitatory I1-superfamily conotoxin
Buczek, O., Wei, D., Babon, J.J., Yang, X., Fiedler, B., Chen, P., Yoshikami, D., Olivera, B.M., Bulaj, G., Norton, R.S.
Biochemistry (2007), 46, 9929-9940, PubMed 17696362 , DOI 10.1021/bi700797f , Abstract

Entries sharing articles BMRB: 1, Swiss-Prot: 1 entries Detail

  BMRB: 15174 released on 2007-10-23
    Title 1H, alpha-13C Chemical Shift Assignments for [L-Phe44]iota-RXIA
  Swiss-Prot: Q7Z094 released on 2004-02-02
    Title CI1BA_CONRA Entity Iota-conotoxin RXIA

Related entities 1. [D-Phe44]iota-RXIA, : 1 : 4 : 18 entities Detail

Experiments performed 4 experiments Detail

Chemical shift validation 4 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr15175_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)
1:5:CYS:SG	1:19:CYS:SG	unknown	unknown	n/a
1:12:CYS:SG	1:22:CYS:SG	unknown	unknown	n/a
1:18:CYS:SG	1:27:CYS:SG	unknown	unknown	n/a
1:21:CYS:SG	1:38: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	2	HYP	4-HYDROXYPROLINE	Assigned chemical shifts
1	11	HYP	4-HYDROXYPROLINE	Assigned chemical shifts
1	29	HYP	4-HYDROXYPROLINE	Assigned chemical shifts

Content subtype: bmr15175_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	304		100.0 (chain: 1, length: 46)
1	Chemical shift references	chemical_shift_reference_1	OK	1		No information

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 46, Sequence coverage: 100.0%
- Total number of assignments
  - ¹H chemical shifts: 265
  - ¹⁵N chemical shifts: 39
- 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)
15	HIS	HD1	7.14
15	HIS	HE2	7.79

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	164	145	88.4
¹⁵N chemical shifts	3	0	0.0

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Found 1 Document (0.988 seconds)

BMRB: 15175

Sample

Entries sharing articles BMRB: 1, Swiss-Prot: 1 entries Detail

Related entities 1. [D-Phe44]iota-RXIA, : 1 : 4 : 18 entities Detail

Experiments performed 4 experiments Detail

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Chemical shift validation 4 contents Detail