BMRB: 5674

THREE DIMENSIONAL SOLUTION STRUCTURE OF HAINANTOXIN-IV BY 2D 1H-NMR

Authors

Li, D.L., Lu, S.Y., Gu, X.C., Liang, S.P.

Assembly

HAINANTOXIN-IV

Entity

1. HAINANTOXIN-IV (polymer, Thiol state: all disulfide bound), 36 monomers, 3992.571 Da Detail

ECLGFGKGCN PSNDQCCKSS NLVCSRKHRW CKYEIX

Formula weight

3992.571 Da

Entity Connection

disulfide 3 Detail

---

ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS2:SG	1:CYS17:SG
2	disulfide	sing	1:CYS9:SG	1:CYS24:SG
3	disulfide	sing	1:CYS16:SG	1:CYS31:SG

Source organism

Haplopelma hainanum

Exptl. method

NMR

Refine. method

SIMULATED ANNEALING

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 97.2 %, Completeness: 92.6 %, Completeness (bb): 98.6 % Detail

Download

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

Polymer type: polypeptide(L)

	Total	1H
All	92.6 % (199 of 215)	92.6 % (199 of 215)
Backbone	98.6 % (71 of 72)	98.6 % (71 of 72)
Sidechain	89.5 % (128 of 143)	89.5 % (128 of 143)
Aromatic	100.0 % (17 of 17)	100.0 % (17 of 17)
Methyl	100.0 % (8 of 8)	100.0 % (8 of 8)

1. hainantoxin-IV

ECLGFGKGCN PSNDQCCKSS NLVCSRKHRW CKYEIX

Show sample condition

Sample

Pressure 1 atm, Temperature 288.00 (±1) K, pH 4.00 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	hainantoxin-IV			5.5 mM
2	L deuterium acetic acid buffer			20 mM
3	H2O			90 %
4	D2O			10 %

Hide sample codition

Protein Blocks Logo

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

---

Release date

2008-07-15

Citation 1

Three-Dimensional Solution Structure of Hainantoxin-Iv by 2D 1H-NMR
Li, D.L., Lu, S.Y., Gu, X.C., Liang, S.P.

Show more 1 citaion

Citation 2

Synthesis and oxidative refolding of hainantoxin-IV
Liu, Z.H., Chen, P., Liang, S.P.
Sheng Wu Hua Xue Yu Sheng Wu Wu Li Xue Bao. (Shanghai). (2002), 34, 516-519, PubMed 12098779 , Abstract

Hide non-primary 1 citaion

Entries sharing articles Swiss-Prot: 3 entries Detail

Related entities 1. HAINANTOXIN-IV, : 1 : 6 : 101 entities Detail

Experiments performed 3 experiments Detail