BMRB: 5672

Automatic assignment of NOESY Cross peaks and determination of the protein structure of a new world scorpion neurotoxin Using NOAH/DIAMOD

Authors

Xu, Y., Jablonsky, M.J., Jackson, P.L., Krishna, N.R., Braun, W.

Assembly

Neurotoxin 5

Entity

1. Neurotoxin 5 (polymer, Thiol state: all disulfide bound), 60 monomers, 6356.226 Da Detail

KDGYPVDSKG CKLSCVANNY CDNQCKMKKA SGGMCYAMSC YCEGLPENAK VSDSATNICG

Formula weight

6356.226 Da

Entity Connection

disulfide 4 Detail

---

ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS11:SG	1:CYS59:SG
2	disulfide	sing	1:CYS15:SG	1:CYS35:SG
3	disulfide	sing	1:CYS21:SG	1:CYS40:SG
4	disulfide	sing	1:CYS25:SG	1:CYS42:SG

Source organism

Centruroides sculpturatus

Exptl. method

NMR

Refine. method

SELF-CORRECTING DG/ VTF

Data set

assigned_chemical_shifts, coupling_constants

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 93.7 %, Completeness (bb): 99.2 % Detail

Download

• NMR-STAR v3.1 (partial)
• BMRB/XML (partial)
• CSV
• TSV

Polymer type: polypeptide(L)

	Total	1H
All	93.7 % (311 of 332)	93.7 % (311 of 332)
Backbone	99.2 % (123 of 124)	99.2 % (123 of 124)
Sidechain	90.4 % (188 of 208)	90.4 % (188 of 208)
Aromatic	50.0 % (8 of 16)	50.0 % (8 of 16)
Methyl	100.0 % (18 of 18)	100.0 % (18 of 18)

1. Neurotoxin 5

KDGYPVDSKG CKLSCVANNY CDNQCKMKKA SGGMCYAMSC YCEGLPENAK VSDSATNICG

Show sample condition

Sample

Temperature 313.00 K, pH 4.00

#	Name	Isotope labeling	Type	Concentration
1	Neurotoxin 5			0.0 ~ 0.0 mM

Hide sample codition

Protein Blocks Logo

Calculated from 20 models in PDB: 1NH5, Strand ID: A Detail

---

Coupling constant

24 J values in 1 lists
Field strength (¹H) 600 MHz, Temperature 313.00 K, pH 4.00 Detail

---

Temperature 313.00 K, pH 4.00

List #1 coupling_constants_set_1, Field strength (¹H) 600 MHz

Release date

2003-08-06

Citation

Automatic assignment of NOESY cross peaks and determination of the protein structure of a new world scorpion neurotoxin using NOAH/DIAMOD
Xu, Y., Jablonsky, M.J., Jackson, P.L., Braun, W.W., Krishna, N.R.
J. Magn. Reson. (2001), 148, 35-46, PubMed 11133274 , DOI 10.1006/jmre.2000.2220 , Abstract

Entries sharing articles Swiss-Prot: 1 entries Detail

Related entities 1. Neurotoxin 5, : 1 : 3 : 168 entities Detail

Experiments performed 3 experiments Detail