BMRB: 5025

The Solution Structure of the Complex Formed between alpha-Bungarotoxin and an 18mer Cognate Peptide Derived from the alpha1 Subunit of the Nicotinic Acetylcholine Receptor from Torpedo californica

Authors

Zeng, H., Moise, L., Grant, M.A., Hawrot, E.

Assembly

ALPHA-BUNGAROTOXIN/ACETYLCHOLINE RECEPTOR PROTEIN (ALPHA CHAIN) COMPLEX

Entity

1. alpha-neurotoxin (polymer, Thiol state: all disulfide bound), 74 monomers, 7994.189 Da Detail

IVCHTTATSP ISAVTCPPGE NLCYRKMWCD AFCSSRGKVV ELGCAATCPS KKPYEEVTCC STDKCNPHPK QRPG

2. 18mer (polymer, Thiol state: all disulfide bound), 19 monomers, 2421.707 Da Detail

YRGWKHWVYY TCCPDTPYX

Total weight

10415.896 Da

Max. entity weight

7994.189 Da

Entity Connection

disulfide 6 Detail

---

ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS3:SG	1:CYS23:SG
2	disulfide	sing	1:CYS16:SG	1:CYS44:SG
3	disulfide	sing	1:CYS29:SG	1:CYS33:SG
4	disulfide	sing	1:CYS48:SG	1:CYS59:SG
5	disulfide	sing	1:CYS60:SG	1:CYS65:SG
6	disulfide	sing	2:CYS12:SG	2:CYS13:SG

Source organism

Bungarus multicinctus , Tetronarce californica

Exptl. method

NMR

Refine. method

distance geometry and simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete1

Sequence coverage: 77.4 %, Completeness: 43.2 %, Completeness (bb): 55.9 % Detail

Download

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

Polymer type: polypeptide(L)

	Total	1H	15N
All	43.2 % (271 of 628)	49.4 % (267 of 540)	4.5 % (4 of 88)
Backbone	55.9 % (146 of 261)	79.3 % (142 of 179)	4.9 % (4 of 82)
Sidechain	34.1 % (125 of 367)	34.6 % (125 of 361)	0.0 % (0 of 6)
Aromatic	8.9 % (5 of 56)	9.4 % (5 of 53)	0.0 % (0 of 3)
Methyl	58.8 % (20 of 34)	58.8 % (20 of 34)

1. alpha-neurotoxin

IVCHTTATSP ISAVTCPPGE NLCYRKMWCD AFCSSRGKVV ELGCAATCPS KKPYEEVTCC STDKCNPHPK QRPG

2. 18mer

YRGWKHWVYY TCCPDTPYX

Show sample condition

Sample

Pressure 1 atm, Temperature 308 (±1) K, pH 4.0 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	alpha-neurotoxin			2.1 mM
2	18mer	[U-99% 15N]		2.1 mM
3	potassium acetate buffer	[U-2H]		50 mM
4	H2O			95 %
5	D2O			5 %
6	sodium azide			0.05 %

Hide sample codition

Chem. Shift Complete2

Sequence coverage: 24.7 %, Completeness: 29.9 %, Completeness (bb): 40.2 % Detail

Download

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

Polymer type: polypeptide(L)

	Total	1H	15N
All	29.9 % (375 of 1256)	32.4 % (350 of 1080)	14.2 % (25 of 176)
Backbone	40.2 % (210 of 522)	51.7 % (185 of 358)	15.2 % (25 of 164)
Sidechain	22.5 % (165 of 734)	22.9 % (165 of 722)	0.0 % (0 of 12)
Aromatic	6.3 % (7 of 112)	6.6 % (7 of 106)	0.0 % (0 of 6)
Methyl	44.1 % (30 of 68)	44.1 % (30 of 68)

1. alpha-neurotoxin

IVCHTTATSP ISAVTCPPGE NLCYRKMWCD AFCSSRGKVV ELGCAATCPS KKPYEEVTCC STDKCNPHPK QRPG

2. 18mer

YRGWKHWVYY TCCPDTPYX

Show sample condition

Sample

Pressure 1 atm, Temperature 308 (±1) K, pH 4.0 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	alpha-neurotoxin			2.1 mM
2	18mer	[U-99% 15N]		2.1 mM
3	potassium acetate buffer	[U-2H]		50 mM
4	H2O			95 %
5	D2O			5 %
6	sodium azide			0.05 %

Hide sample codition

Protein Blocks Logo

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

---

Release date

2001-07-15

Citation

The solution structure of the complex formed between alpha-bungarotoxin and an 18-mer cognate peptide derived from the alpha 1 subunit of the nicotinic acetylcholine receptor from Torpedo californica
Zeng, H., Moise, L., Grant, M.A., Hawrot, E.
J. Biol. Chem. (2001), 276, 22930-22940, PubMed 11312275 , DOI 10.1074/jbc.M102300200 , Abstract

Related entities 2. 18mer, : 1 : 20 : 17 entities Detail

Interaction partners 2. 18mer, : 1 interactors Detail

Experiments performed 6 experiments Detail