BMRB Entry 17717
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR17717
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Title: Monomeric Mouse ApoAI(1-216)
Deposition date: 2011-06-17 Original release date: 2012-12-17
Authors: Chen, Jianglei; Wang, Jianjun; Yang, Yunhuang
Citation: Chen, Jianglei; Yang, Yunhuang; Wang, Jianjun. "NMR Structure of Mouse ApoAI(1-216)" J. Biol. Chem. ., .-..
Assembly members:
entity, polymer, 216 residues, 25264.260 Da.
Natural source: Common Name: mouse Taxonomy ID: 10090 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Mus musculus
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
entity: DEPQSQWDKVKDFANVYVDA
VKDSGRDYVSQFESSSLGQQ
LNLNLLENWDTLGSTVSQLQ
ERLGPLTRDFWDNLEKETDW
VRQEMNKDLEEVKQKVQPYL
DEFQKKWKEDVELYRQKASP
QGAELQESARQKLQELQGRL
SPVAEEFRDRMRTHVDSLRT
QLAPHSEQMRESLAQRLAEL
KSNPTLNEYHSSAKSHLKSL
GEKARPALEDLRHSLM
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 660 |
| 15N chemical shifts | 230 |
| 1H chemical shifts | 1363 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | NMR Structure of Mouse ApoAI(1-216) | 1 |
Entities:
Entity 1, NMR Structure of Mouse ApoAI(1-216) 216 residues - 25264.260 Da.
| 1 | ASP | GLU | PRO | GLN | SER | GLN | TRP | ASP | LYS | VAL | ||||
| 2 | LYS | ASP | PHE | ALA | ASN | VAL | TYR | VAL | ASP | ALA | ||||
| 3 | VAL | LYS | ASP | SER | GLY | ARG | ASP | TYR | VAL | SER | ||||
| 4 | GLN | PHE | GLU | SER | SER | SER | LEU | GLY | GLN | GLN | ||||
| 5 | LEU | ASN | LEU | ASN | LEU | LEU | GLU | ASN | TRP | ASP | ||||
| 6 | THR | LEU | GLY | SER | THR | VAL | SER | GLN | LEU | GLN | ||||
| 7 | GLU | ARG | LEU | GLY | PRO | LEU | THR | ARG | ASP | PHE | ||||
| 8 | TRP | ASP | ASN | LEU | GLU | LYS | GLU | THR | ASP | TRP | ||||
| 9 | VAL | ARG | GLN | GLU | MET | ASN | LYS | ASP | LEU | GLU | ||||
| 10 | GLU | VAL | LYS | GLN | LYS | VAL | GLN | PRO | TYR | LEU | ||||
| 11 | ASP | GLU | PHE | GLN | LYS | LYS | TRP | LYS | GLU | ASP | ||||
| 12 | VAL | GLU | LEU | TYR | ARG | GLN | LYS | ALA | SER | PRO | ||||
| 13 | GLN | GLY | ALA | GLU | LEU | GLN | GLU | SER | ALA | ARG | ||||
| 14 | GLN | LYS | LEU | GLN | GLU | LEU | GLN | GLY | ARG | LEU | ||||
| 15 | SER | PRO | VAL | ALA | GLU | GLU | PHE | ARG | ASP | ARG | ||||
| 16 | MET | ARG | THR | HIS | VAL | ASP | SER | LEU | ARG | THR | ||||
| 17 | GLN | LEU | ALA | PRO | HIS | SER | GLU | GLN | MET | ARG | ||||
| 18 | GLU | SER | LEU | ALA | GLN | ARG | LEU | ALA | GLU | LEU | ||||
| 19 | LYS | SER | ASN | PRO | THR | LEU | ASN | GLU | TYR | HIS | ||||
| 20 | SER | SER | ALA | LYS | SER | HIS | LEU | LYS | SER | LEU | ||||
| 21 | GLY | GLU | LYS | ALA | ARG | PRO | ALA | LEU | GLU | ASP | ||||
| 22 | LEU | ARG | HIS | SER | LEU | MET |
Samples:
13C15N_labeled: entity, [U-100% 13C; U-100% 15N], ~1.0 mM; DSS 0.03 mM; sodium azide 0.01 mM; EDTA, [U-100% 2H], 10 mM; sodium phosphate 25 mM; H2O 90%; D2O 10%
Triple_labeled: entity, [U-13C; U-15N; U-2H], ~1.0 mM; DSS 0.03 mM; sodium azide 0.01 mM; EDTA, [U-100% 2H], 10 mM; sodium phosphate 25 mM; H2O 90%; D2O 10%
sample_conditions_1: pH: 6.8; pressure: 1 atm; temperature: 273 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | 13C15N_labeled | isotropic | sample_conditions_1 |
| 3D HNCA | Triple_labeled | isotropic | sample_conditions_1 |
| 3D HN(CO)CA | Triple_labeled | isotropic | sample_conditions_1 |
| 3D HNCACB | Triple_labeled | isotropic | sample_conditions_1 |
| 3D HN(COCA)CB | Triple_labeled | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | 13C15N_labeled | isotropic | sample_conditions_1 |
| 3D HCCH-TOCSY | 13C15N_labeled | isotropic | sample_conditions_1 |
| 3D CCC-TOCSY-NNH | 13C15N_labeled | isotropic | sample_conditions_1 |
| 4D 13C15N NOESY | 13C15N_labeled | isotropic | sample_conditions_1 |
Software:
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
CYANA, Guntert, Mumenthaler and Wuthrich - structure solution
ProcheckNMR, Laskowski and MacArthur - refinement
NMRView, Johnson, One Moon Scientific - chemical shift assignment
PIPP, Garrett - chemical shift assignment
VNMR, Varian - collection
TALOS, Cornilescu, Delaglio and Bax - chemical shift calculation
InsightII, Accelrys Software Inc. - refinement
CSI, Johnson, One Moon Scientific - chemical shift calculation
NMR spectrometers:
- Varian INOVA 600 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts