BMRB Entry 4872
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR4872
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Title: Interhelical Ion Pairing in Coiled Coils: Solution Structure of a Heterodimeric Leucine Zipper and Determination of pKa Values of Glu Side Chains
Deposition date: 2000-10-23 Original release date: 2008-07-16
Authors: Marti, D.; Jelesarov, I.; Bosshard, H.
Citation: Marti, D.; Jelesarov, I.; Bosshard, H.. "Interhelical Ion Pairing in Coiled Coils: Solution Structure of a Heterodimeric Leucine Zipper and Determination of pKa Values of Glu Side Chains" Biochemistry 39, 12804-12818 (2000).
Assembly members:
LEUCINE ZIPPER CHAIN A, polymer, 33 residues, 3557 Da.
LEUCINE ZIPPER CHAIN B, polymer, 33 residues, 3576 Da.
Natural source: Common Name: not available Taxonomy ID: not available Superkingdom: not available Kingdom: not available Genus/species: not available not available
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
LEUCINE ZIPPER CHAIN A: XEVAQLEKEVAQAEAENYQLE
QEVAQLEHECGX
LEUCINE ZIPPER CHAIN B: XEVQALKKRVQALKARNYAA
KQKVQALRHKCGX
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 456 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | ACIDIC CHAIN | 1 |
| 2 | BASIC CHAIN | 2 |
Entities:
Entity 1, ACIDIC CHAIN 33 residues - 3557 Da.
| 1 | ACE | GLU | VAL | ALA | GLN | LEU | GLU | LYS | GLU | VAL | ||||
| 2 | ALA | GLN | ALA | GLU | ALA | GLU | ASN | TYR | GLN | LEU | ||||
| 3 | GLU | GLN | GLU | VAL | ALA | GLN | LEU | GLU | HIS | GLU | ||||
| 4 | CYS | GLY | NH2 |
Entity 2, BASIC CHAIN 33 residues - 3576 Da.
| 1 | ACE | GLU | VAL | GLN | ALA | LEU | LYS | LYS | ARG | VAL | ||||
| 2 | GLN | ALA | LEU | LYS | ALA | ARG | ASN | TYR | ALA | ALA | ||||
| 3 | LYS | GLN | LYS | VAL | GLN | ALA | LEU | ARG | HIS | LYS | ||||
| 4 | CYS | GLY | NH2 |
Samples:
sample_1: LEUCINE ZIPPER CHAIN A 2.1 mM; LEUCINE ZIPPER CHAIN B 2.1 mM
sample_cond_1: ionic strength: 10 mM; pH: 5.65; temperature: 310 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| DQF-COSY | sample_1 | not available | sample_cond_1 |
| 2D TOCSY | sample_1 | not available | sample_cond_1 |
| 2D NOESY | sample_1 | not available | sample_cond_1 |
Software:
xwinnmr v2.6 - data collection
FELIX v98 - data processing
X-PLOR v3.851 - structure calculation
NMR spectrometers:
- Bruker DRX 800 MHz
- Bruker DRX 600 MHz
Related Database Links:
| PDB |