BMRB: 4872

Interhelical Ion Pairing in Coiled Coils: Solution Structure of a Heterodimeric Leucine Zipper and Determination of pKa Values of Glu Side Chains

Authors

Marti, D.N., Jelesarov, I., Bosshard, H.R.

Assembly

DESIGNED HETERODIMERIC LEUCINE ZIPPER

Entity

1. LEUCINE ZIPPER CHAIN A (polymer, Thiol state: all disulfide bound), 33 monomers, 3539.763 Da Detail

XEVAQLEKEV AQAEAENYQL EQEVAQLEHE CGX

2. LEUCINE ZIPPER CHAIN B (polymer, Thiol state: all disulfide bound), 33 monomers, 3559.219 Da Detail

XEVQALKKRV QALKARNYAA KQKVQALRHK CGX

Total weight

7098.982 Da

Max. entity weight

3559.219 Da

Entity Connection

disulfide 1 Detail

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ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS31:SG	2:CYS31:SG

Exptl. method

NMR

Refine. method

1. DISTANCE GEOMETRY/REGULARIZATION, 2. SIMULATED ANNEALING, 3. MOLECULAR DYNAMICS SIMULATION INCLUDING 8 ANGSTROMS WATER SHELL

Data set

assigned_chemical_shifts

Chem. Shift Complete1

Sequence coverage: 51.5 %, Completeness: 49.7 %, Completeness (bb): 54.8 % Detail

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Polymer type: polypeptide(L)

	Total	1H
All	49.7 % (193 of 388)	49.7 % (193 of 388)
Backbone	54.8 % (69 of 126)	54.8 % (69 of 126)
Sidechain	47.3 % (124 of 262)	47.3 % (124 of 262)
Aromatic	50.0 % (6 of 12)	50.0 % (6 of 12)
Methyl	51.4 % (18 of 35)	51.4 % (18 of 35)

1. LEUCINE ZIPPER CHAIN A

XEVAQLEKEV AQAEAENYQL EQEVAQLEHE CGX

2. LEUCINE ZIPPER CHAIN B

XEVQALKKRV QALKARNYAA KQKVQALRHK CGX

Show sample condition

Sample

Temperature 310 (±0.5) K, pH 5.65 (±0.05)

#	Name	Isotope labeling	Type	Concentration
1	LEUCINE ZIPPER CHAIN A			2.1 mM
2	LEUCINE ZIPPER CHAIN B			2.1 mM

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Chem. Shift Complete2

Sequence coverage: 51.5 %, Completeness: 51.7 %, Completeness (bb): 54.0 % Detail

Download

• NMR-STAR v3.1 (partial)
• BMRB/XML (partial)
• CSV
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Polymer type: polypeptide(L)

	Total	1H
All	51.7 % (401 of 776)	51.7 % (401 of 776)
Backbone	54.0 % (136 of 252)	54.0 % (136 of 252)
Sidechain	50.6 % (265 of 524)	50.6 % (265 of 524)
Aromatic	50.0 % (12 of 24)	50.0 % (12 of 24)
Methyl	54.3 % (38 of 70)	54.3 % (38 of 70)

1. LEUCINE ZIPPER CHAIN A

XEVAQLEKEV AQAEAENYQL EQEVAQLEHE CGX

2. LEUCINE ZIPPER CHAIN B

XEVQALKKRV QALKARNYAA KQKVQALRHK CGX

Show sample condition

Sample

Temperature 310 (±0.5) K, pH 5.65 (±0.05)

#	Name	Isotope labeling	Type	Concentration
1	LEUCINE ZIPPER CHAIN A			2.1 mM
2	LEUCINE ZIPPER CHAIN B			2.1 mM

Hide sample codition

Protein Blocks Logo

Calculated from 25 models in PDB: 1FMH, Strand ID: A, B Detail

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Release date

2008-07-15

Citation

Interhelical ion pairing in coiled coils: solution structure of a heterodimeric leucine zipper and determination of pKa values of Glu side chains
Marti, D.N., Jelesarov, I., Bosshard, H.R.
Biochemistry (2000), 39, 12804-12818, PubMed 11041845 , DOI: , Abstract

Related entities 1. LEUCINE ZIPPER CHAIN A, : 8 entities Detail

Related entities 2. LEUCINE ZIPPER CHAIN B, : 4 entities Detail

Experiments performed 3 experiments Detail