BMRB: 6260

NMR solution Structure of a Highly Stable de novo Heterodimeric Coiled-Coil

Authors

Lindhout, D.A., Litowski, J.R., Mercier, P., Hodges, R.S., Sykes, B.D.

Assembly

IAAL-E3/K3 heterodimer

Entity

1. IAAL-E3 (polymer, Thiol state: not present), 21 monomers, 2282.626 Da Detail

EIAALEKEIA ALEKEIAALE K

2. K3 coiled-coil (polymer, Thiol state: not present), 21 monomers, 2279.800 Da Detail

KIAALKEKIA ALKEKIAALK E

Total weight

4562.426 Da

Max. entity weight

2282.626 Da

Exptl. method

NMR

Refine. method

DISTANCE GEOMETRY, SIMULATED ANNEALING, CHEMICAL-SHIFT AUTO -ASSIGNMENT, DISTANCE GEOMETRY, SIMULATED ANNEALING

Data set

assigned_chemical_shifts

Chem. Shift Complete1

Sequence coverage: 52.4 %, Completeness: 42.2 %, Completeness (bb): 51.6 % Detail

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Polymer type: polypeptide(L)

	Total	1H	15N
All	42.2 % (129 of 306)	40.9 % (108 of 264)	50.0 % (21 of 42)
Backbone	51.6 % (65 of 126)	52.4 % (44 of 84)	50.0 % (21 of 42)
Sidechain	35.6 % (64 of 180)	35.6 % (64 of 180)
Methyl	41.7 % (15 of 36)	41.7 % (15 of 36)

1. IAAL-E3

EIAALEKEIA ALEKEIAALE K

2. K3 coiled-coil

KIAALKEKIA ALKEKIAALK E

Show sample condition

Sample

Temperature 293 (±0.05) K, pH 6.70 (±0.02)

#	Name	Isotope labeling	Type	Concentration
1	IAAL-E3			1.0 mM
2	K3 coiled-coil			1.0 mM

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Chem. Shift Complete2

Sequence coverage: 50.0 %, Completeness: 40.0 %, Completeness (bb): 49.6 % Detail

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Polymer type: polypeptide(L)

	Total	1H	15N
All	40.0 % (245 of 612)	38.6 % (204 of 528)	48.8 % (41 of 84)
Backbone	49.6 % (125 of 252)	50.0 % (84 of 168)	48.8 % (41 of 84)
Sidechain	33.3 % (120 of 360)	33.3 % (120 of 360)
Methyl	40.3 % (29 of 72)	40.3 % (29 of 72)

1. IAAL-E3

EIAALEKEIA ALEKEIAALE K

2. K3 coiled-coil

KIAALKEKIA ALKEKIAALK E

Show sample condition

Sample

Temperature 293 (±0.05) K, pH 6.70 (±0.02)

#	Name	Isotope labeling	Type	Concentration
1	IAAL-E3			1.0 mM
2	K3 coiled-coil			1.0 mM

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Protein Blocks Logo

Calculated from 20 models in PDB: 1U0I, Strand ID: A, B Detail

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Release date

2004-07-25

Citation

NMR solution structure of a highly stable de novo heterodimeric coiled-coil
Lindhout, D.A., Litowski, J.R., Mercier, P., Hodges, R.S., Sykes, B.D.
Biopolymers (2004), 75, 367-375, PubMed 15457434 , DOI 10.1002/bip.20150 , Abstract

Related entities 1. IAAL-E3, : 1 : 1 : 1 : 56 entities Detail

Related entities 2. K3 coiled-coil, : 1 : 1 : 4 : 17 entities Detail

Experiments performed 3 experiments Detail