BMRB: 6728

NMR STRUCTURAL STUDIES OF A POTASSIUM CHANNEL/CHARYBDOTOXIN COMPLEX

Authors

Yu, L., Olejniczak, E.T.

Assembly

potassium channel KcsA

Entity

1. potassium channel (polymer, Thiol state: all free), 129 monomers, 13787.08 × 4 Da Detail

MPPMLSGLLA RLVKLLLGRH GSALHWRAAG AATVLLVIVL LAGSYLAVLA ERGAPGAALI SYPDALWWSV ETATTVGYGD LYPVTLWGRC VAVVVMVAGI TSYGLVFAAV ATWFVGREQE RRGHFVRHS

2. Charybdotoxin (polymer, Thiol state: all disulfide bound), 37 monomers, 4301.931 Da Detail

XFTNVSCTTS KECWSVCQRL HNTSRGKCMN KKCRCYS

Total weight

59450.25 Da

Max. entity weight

13787.08 Da

Entity Connection

disulfide 3 Detail

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ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	2:CYS7:SG	2:CYS28:SG
2	disulfide	sing	2:CYS13:SG	2:CYS33:SG
3	disulfide	sing	2:CYS17:SG	2:CYS35:SG

Source organism

Streptomyces lividans , Scorpaena

Exptl. method

NMR

Refine. method

molecular SIMULATED ANNEALING / dynamics / docking

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 27.7 %, Completeness: 11.8 %, Completeness (bb): 7.4 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C
All	11.8 % (200 of 1691)	11.6 % (110 of 945)	12.1 % (90 of 746)
Backbone	7.4 % (61 of 820)	7.4 % (25 of 340)	7.5 % (36 of 480)
Sidechain	15.7 % (160 of 1021)	14.0 % (85 of 605)	18.0 % (75 of 416)
Aromatic	6.3 % (11 of 174)	6.7 % (6 of 90)	6.0 % (5 of 84)
Methyl	47.8 % (109 of 228)	48.2 % (55 of 114)	47.4 % (54 of 114)

1. potassium channel

MPPMLSGLLA RLVKLLLGRH GSALHWRAAG AATVLLVIVL LAGSYLAVLA ERGAPGAALI SYPDALWWSV ETATTVGYGD LYPVTLWGRC VAVVVMVAGI TSYGLVFAAV ATWFVGREQE RRGHFVRHS

2. Charybdotoxin

XFTNVSCTTS KECWSVCQRL HNTSRGKCMN KKCRCYS

Show sample condition

Sample

Temperature 315 (±0.5) K, pH 7.5 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	potassium channel			0.03 ~ 1.0 mM
2	Charybdotoxin			0.0 ~ 0.0 mM

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Protein Blocks Logo

Calculated from 1 models in PDB: 2A9H, Strand ID: A, B, C, D, E Detail

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Release date

2005-07-11

Citation

Nuclear magnetic resonance structural studies of a potassium channel-charybdotoxin complex
Yu, L., Sun, C., Song, D., Shen, J., Xu, N., Gunasekera, A., Haiduk, P.J., Olejniczak, E.T.
Biochemistry (2005), 44, 15834-15841, PubMed 16313186 , DOI 10.1021/bi051656d , Abstract

Related entities 1. potassium channel, : 117 entities Detail

Related entities 2. Charybdotoxin, : 1 : 6 : 152 entities Detail

Experiments performed 1 experiments Detail