BMRB Entry 4834
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR4834
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Title: Backbone (1H, 15N, 13C) Resonance Assignments of a 21 kDa construct of S. aureus Peptide Deformylase
Deposition date: 2000-09-18 Original release date: 2001-02-14
Authors: Scahill, Terrence; Kloosterman, David; Cialdella, Joyce; Deibel, Martin; Marshall, Vincent; Yem, Anthony
Citation: Scahill, Terrence; Kloosterman, David; Cialdella, Joyce; Deibel, Martin; Marshall, Vincent; Yem, Anthony. "Letter to the Editor: Backbone (1H, 15N, 13C) resonance assignments of a 21 kDa construct of S. aureus peptide deformylase" J. Biomol. NMR 19, 81-82 (2001).
Assembly members:
Staphylococcal aureus peptide deformylase, polymer, 189 residues, Formula weight is not available
ZN, non-polymer, 65.409 Da.
Natural source: Common Name: not available Taxonomy ID: 1280 Superkingdom: Bacteria Kingdom: not available Genus/species: Staphylococcus aureus
Experimental source: Production method: recombinant technology
Entity Sequences (FASTA):
Staphylococcal aureus peptide deformylase: MLTMKDIIRDGHPTLRQKAA
ELELPLTKEEKETLIAMREF
LVNSQDEEIAKRYGLRSGVG
LAAPQINISKRMIAVLIPDD
GSGKSYDYMLVNPKIVSHSV
QEAYLPTGEGCLSVDDNVAG
LVHRHNRITIKAKDIEGNDI
QLRLKGYPAIVFQHEIDHLN
GVMFYDHIDKDHPLQPHTDA
VEVHHHHHH
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 632 |
| 13C chemical shifts | 509 |
| 15N chemical shifts | 166 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | 1 | |
| 2 | ZN 2+ | 2 |
Entities:
Entity 1, pdf 189 residues - Formula weight is not available
| 1 | MET | LEU | THR | MET | LYS | ASP | ILE | ILE | ARG | ASP | ||||
| 2 | GLY | HIS | PRO | THR | LEU | ARG | GLN | LYS | ALA | ALA | ||||
| 3 | GLU | LEU | GLU | LEU | PRO | LEU | THR | LYS | GLU | GLU | ||||
| 4 | LYS | GLU | THR | LEU | ILE | ALA | MET | ARG | GLU | PHE | ||||
| 5 | LEU | VAL | ASN | SER | GLN | ASP | GLU | GLU | ILE | ALA | ||||
| 6 | LYS | ARG | TYR | GLY | LEU | ARG | SER | GLY | VAL | GLY | ||||
| 7 | LEU | ALA | ALA | PRO | GLN | ILE | ASN | ILE | SER | LYS | ||||
| 8 | ARG | MET | ILE | ALA | VAL | LEU | ILE | PRO | ASP | ASP | ||||
| 9 | GLY | SER | GLY | LYS | SER | TYR | ASP | TYR | MET | LEU | ||||
| 10 | VAL | ASN | PRO | LYS | ILE | VAL | SER | HIS | SER | VAL | ||||
| 11 | GLN | GLU | ALA | TYR | LEU | PRO | THR | GLY | GLU | GLY | ||||
| 12 | CYS | LEU | SER | VAL | ASP | ASP | ASN | VAL | ALA | GLY | ||||
| 13 | LEU | VAL | HIS | ARG | HIS | ASN | ARG | ILE | THR | ILE | ||||
| 14 | LYS | ALA | LYS | ASP | ILE | GLU | GLY | ASN | ASP | ILE | ||||
| 15 | GLN | LEU | ARG | LEU | LYS | GLY | TYR | PRO | ALA | ILE | ||||
| 16 | VAL | PHE | GLN | HIS | GLU | ILE | ASP | HIS | LEU | ASN | ||||
| 17 | GLY | VAL | MET | PHE | TYR | ASP | HIS | ILE | ASP | LYS | ||||
| 18 | ASP | HIS | PRO | LEU | GLN | PRO | HIS | THR | ASP | ALA | ||||
| 19 | VAL | GLU | VAL | HIS | HIS | HIS | HIS | HIS | HIS |
Entity 2, ZN 2+ - Zn - 65.409 Da.
| 1 | ZN |
Samples:
sample_1: Staphylococcal aureus peptide deformylase, [95% 13C; 90% 15N], 0.3 – 1.0 mM; ZINC (II) ION0.6 – 2.0 mM
sample_conditions: pH*: 7.4; temperature: 310 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 1H-15N HSQC | sample_1 | not available | sample_conditions |
| 1H-15N NOESY | sample_1 | not available | sample_conditions |
| HNCA | sample_1 | not available | sample_conditions |
| HN(CO)CA | sample_1 | not available | sample_conditions |
| HNCO | sample_1 | not available | sample_conditions |
| CBCACONH | sample_1 | not available | sample_conditions |
| NHCACB | sample_1 | not available | sample_conditions |
| HBHACONH | sample_1 | not available | sample_conditions |
Software:
NMRPipe - visualization and resonance assignments
Felix - visualization and resonance assignments
NMR spectrometers:
- Bruker DRX 600 MHz
Related Database Links:
| PDB | |
| DBJ | BAB42188 BAB57253 BAB94839 BAF67229 BAF77966 |
| EMBL | CAG40067 CAG42800 CAI80645 CAQ49513 CBI48965 |
| GB | AAG02249 AAW37980 ABD21929 ABD30158 ABQ48951 |
| REF | NP_371615 NP_374210 NP_645791 WP_000957034 WP_000957036 |
| SP | P68825 P68826 P99077 Q5HGZ3 Q6GAC3 |
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts