BMRB Entry 6191
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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/BMR6191
MolProbity Validation Chart
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
All files associated with the entry
Citation: Dempsey, B.; Wrona, M.; Moulin, J.; Gloor, G.; Jalilehvand, F.; Lajoie, G.; Shaw, G.; Shilton, B.. "Solution NMR structure and X-ray absorption analysis of the C-terminal zinc-binding domain of the SecA ATPase" Biochemistry 43, 9361-9371 (2004).
PubMed: 15260479
Assembly members:
SecA, polymer, 22 residues, Formula weight is not available
ZN, non-polymer, 65.409 Da.
Natural source: Common Name: Escherichia coli Taxonomy ID: 562 Superkingdom: Bacteria Kingdom: not available Genus/species: Escherichia coli
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
SecA: KVGRNDPCPCGSGKKYKQCH
GR
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 25 |
| 1H chemical shifts | 115 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | SecA | 1 |
| 2 | ZINC (II) ION | 2 |
Entities:
Entity 1, SecA 22 residues - Formula weight is not available
| 1 | LYS | VAL | GLY | ARG | ASN | ASP | PRO | CYS | PRO | CYS | ||||
| 2 | GLY | SER | GLY | LYS | LYS | TYR | LYS | GLN | CYS | HIS | ||||
| 3 | GLY | ARG |
Entity 2, ZINC (II) ION - Zn - 65.409 Da.
| 1 | ZN |
Samples:
sample_1: SecA 1.7 mM; deuterated Pipes buffer 20 mM; NaCl 50 mM; TCEP 0.5 mM; ZnCl2 3.4 mM; H2O 90%; D2O 10%
sample_2: SecA 3.5 mM; deuterated Pipes buffer 20 mM; NaCl 50 mM; NaN3 5 mM; TCEP 0.5 mM; ZnCl2 7 mM; H2O 90%; D2O 10%
sample_3: SecA 1.7 mM; deuterated Pipes buffer 20 mM; NaCl 50 mM; NaN3 5 mM; TCEP 0.5 mM; ZnCl2 3.4 mM; D2O 100%
sample_4: SecA 3.5 mM; deuterated Pipes buffer 20 mM; NaCl 50 mM; NaN3 5 mM; TCEP 0.5 mM; ZnCl2 7 mM; D2O 100%
sample_cond_1: ionic strength: 58.4 mM; pH: 7.0; pressure: 1 atm; temperature: 298 K
sample_cond_2: ionic strength: 62 mM; pH: 7.0; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| DQF-COSY | not available | not available | not available |
| 2D NOESY | not available | not available | not available |
Software:
CNS v1.1 - refinement, structure solution
NMRPipe v2.1 - processing
VNMR v6.1c - processing
PIPP v4.3.3 - data analysis
STAPP v4.3.3 - data analysis
NMR spectrometers:
- Varian INOVA 600 MHz