BMRB Entry 18328
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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/BMR18328
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Title: Solution structure of CHCHD7 PubMed: 22842048
Deposition date: 2012-03-14 Original release date: 2012-09-14
Authors: Winkelmann, Julia; Ciofi-Baffoni, Simone; Banci, Lucia; Bertini, Ivano
Citation: Banci, Lucia; Bertini, Ivano; Ciofi-Baffoni, Simone; Jaiswal, Deepa; Neri, Sara; Peruzzini, Riccardo; Winkelmann, Julia. "Structural characterization of CHCHD5 and CHCHD7: two atypical human twin CX9C proteins." J. Struct. Biol. 180, 190-200 (2012).
Assembly members:
entity, polymer, 85 residues, 8598.808 Da.
Natural source: Common Name: Human Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
entity: MPSVTQRLRDPDINPCLSES
DASTRCLDENNYDRERCSTY
FLRYKNCRRFWNSIVMQRRK
NGVKPFMPTAAERDEILRAV
GNMPY
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 273 |
| 15N chemical shifts | 74 |
| 1H chemical shifts | 433 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | CHCHD7 | 1 |
Entities:
Entity 1, CHCHD7 85 residues - 8598.808 Da.
The first 13 residues are removed from the coordinate file as they are disordered. Two disulfide bonds are present between Cys16 and Cys47, and between Cys26 and Cys37
| 1 | MET | PRO | SER | VAL | THR | GLN | ARG | LEU | ARG | ASP | ||||
| 2 | PRO | ASP | ILE | ASN | PRO | CYS | LEU | SER | GLU | SER | ||||
| 3 | ASP | ALA | SER | THR | ARG | CYS | LEU | ASP | GLU | ASN | ||||
| 4 | ASN | TYR | ASP | ARG | GLU | ARG | CYS | SER | THR | TYR | ||||
| 5 | PHE | LEU | ARG | TYR | LYS | ASN | CYS | ARG | ARG | PHE | ||||
| 6 | TRP | ASN | SER | ILE | VAL | MET | GLN | ARG | ARG | LYS | ||||
| 7 | ASN | GLY | VAL | LYS | PRO | PHE | MET | PRO | THR | ALA | ||||
| 8 | ALA | GLU | ARG | ASP | GLU | ILE | LEU | ARG | ALA | VAL | ||||
| 9 | GLY | ASN | MET | PRO | TYR |
Samples:
sample_1: CHCHD7, [U-100% 15N], 0.5 – 1 mM; potassium phosphate 50 mM; H2O 90%; D2O 10%
sample_2: CHCHD7, [U-100% 13C; U-100% 15N], 0.5 – 1 mM; potassium phosphate 50 mM; H2O 90%; D2O 10%
sample_conditions_1: ionic strength: 50 mM; pH: 7.0; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_2 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_2 | isotropic | sample_conditions_1 |
| 3D HNCA | sample_2 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_2 | isotropic | sample_conditions_1 |
| 3D HN(CO)CA | sample_2 | isotropic | sample_conditions_1 |
| 3D HCCH-TOCSY | sample_2 | isotropic | sample_conditions_1 |
| 3D HN(CA)CO | sample_2 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_2 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY aliphatic | sample_2 | isotropic | sample_conditions_1 |
Software:
TOPSPIN, Bruker Biospin - collection, processing
CARA, Keller and Wuthrich - data analysis
PECAN, Eghbalnia, Wang, Bahrami, Assadi, and Markley - data analysis
TALOS, Cornilescu, Delaglio and Bax - data analysis
ATNOS, Herrmann, Guntert and Wuthrich - peak picking
CANDID, Herrmann, Guntert and Wuthrich - NOEs assignment
CYANA, Guntert, Mumenthaler and Wuthrich - structure solution
XEASY, Bartels et al. - data analysis
AMBER, Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollm - refinement
ProcheckNMR, Laskowski and MacArthur - Structure validation
PSVS, Bhattacharya and Montelione - Structure validation
WhatIF, Vriend - Structure validation
Molmol, Koradi, Billeter and Wuthrich - data analysis
NMR spectrometers:
- Bruker Avance 900 MHz
- Bruker Avance 500 MHz
- Bruker Avance 700 MHz
Related Database Links:
| PDB | |
| DBJ | BAF82777 |
| GB | AAH02546 AIC52242 EAW86776 EAW86778 EAW86779 |
| REF | NP_001011668 NP_001011671 NP_077276 XP_001151645 XP_002819143 |
| SP | Q9BUK0 |
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts