BMRB Entry 18381
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR18381
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Title: The backbone chemical shifts of IscU complexed with HscA PubMed: 22782893
Deposition date: 2012-04-08 Original release date: 2012-09-14
Authors: Kim, Jin Hae; Tonelli, Marco; Markley, John
Citation: Kim, Jin Hae; Tonelli, Marco; Frederick, Ronnie; Chow, Darius C-F; Markley, John. "Specialized Hsp70 Chaperone (HscA) Binds Preferentially to the Disordered Form, whereas J-protein (HscB) Binds Preferentially to the Structured Form of the Iron-Sulfur Cluster Scaffold Protein (IscU)." J. Biol. Chem. 287, 31406-31413 (2012).
Assembly members:
IscU, polymer, 128 residues, Formula weight is not available
HscA, polymer, 616 residues, Formula weight is not available
Natural source: Common Name: E. Coli Taxonomy ID: 562 Superkingdom: Bacteria Kingdom: not available Genus/species: Escherichia coli
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
IscU: MAYSEKVIDHYENPRNVGSF
DNNDENVGSGMVGAPACGDV
MKLQIKVNDEGIIEDARFKT
YGCGSAIASSSLVTEWVKGK
SLDEAQAIKNTDIAEELELP
PVKIHCSILAEDAIKAAIAD
YKSKREAK
HscA: MALLQISEPGLSAAPHQRRL
AAGIDLGTTNSLVATVRSGQ
AETLADHEGRHLLPSVVHYQ
QQGHSVGYDARTNAALDTAN
TISSVKRLMGRSLADIQQRY
PHLPYQFQASENGLPMIETA
AGLLNPVRVSADILKALAAR
ATEALAGELDGVVITVPAYF
DDAQRQGTKDAARLAGLHVL
RLLNEPTAAAIAYGLDSGQE
GVIAVYDLGGGTFDISILRL
SRGVFEVLATGGDSALGGDD
FDHLLADYIREQAGIPDRSD
NRVQRELLDAAIAAKIALSD
ADSVTVNVAGWQGEISREQF
NELIAPLVKRTLLACRRALK
DAGVEADEVLEVVMVGGSTR
VPLVRERVGEFFGRPPLTSI
DPDKVVAIGAAIQADILVGN
KPDSEMLLLDVIPLSLGLET
MGGLVEKVIPRNTTIPVARA
QDFTTFKDGQTAMSIHVMQG
ERELVQDCRSLARFALRGIP
ALPAGGAHIRVTFQVDADGL
LSVTAMEKSTGVEASIQVKP
SYGLTDSEIASMIKDSMSYA
EQDVKARMLAEQKVEAARVL
ESLHGALAADAALLSAAERQ
VIDDAAAHLSEVAQGDDVDA
IEKAIKNVDKQTQDFAARRM
DQSVRRALKGHSVDEV
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 219 |
| 15N chemical shifts | 71 |
| 1H chemical shifts | 71 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | IscU | 1 |
| 2 | HscA | 2 |
Entities:
Entity 1, IscU 128 residues - Formula weight is not available
| 1 | MET | ALA | TYR | SER | GLU | LYS | VAL | ILE | ASP | HIS | ||||
| 2 | TYR | GLU | ASN | PRO | ARG | ASN | VAL | GLY | SER | PHE | ||||
| 3 | ASP | ASN | ASN | ASP | GLU | ASN | VAL | GLY | SER | GLY | ||||
| 4 | MET | VAL | GLY | ALA | PRO | ALA | CYS | GLY | ASP | VAL | ||||
| 5 | MET | LYS | LEU | GLN | ILE | LYS | VAL | ASN | ASP | GLU | ||||
| 6 | GLY | ILE | ILE | GLU | ASP | ALA | ARG | PHE | LYS | THR | ||||
| 7 | TYR | GLY | CYS | GLY | SER | ALA | ILE | ALA | SER | SER | ||||
| 8 | SER | LEU | VAL | THR | GLU | TRP | VAL | LYS | GLY | LYS | ||||
| 9 | SER | LEU | ASP | GLU | ALA | GLN | ALA | ILE | LYS | ASN | ||||
| 10 | THR | ASP | ILE | ALA | GLU | GLU | LEU | GLU | LEU | PRO | ||||
| 11 | PRO | VAL | LYS | ILE | HIS | CYS | SER | ILE | LEU | ALA | ||||
| 12 | GLU | ASP | ALA | ILE | LYS | ALA | ALA | ILE | ALA | ASP | ||||
| 13 | TYR | LYS | SER | LYS | ARG | GLU | ALA | LYS |
Entity 2, HscA 616 residues - Formula weight is not available
| 1 | MET | ALA | LEU | LEU | GLN | ILE | SER | GLU | PRO | GLY | ||||
| 2 | LEU | SER | ALA | ALA | PRO | HIS | GLN | ARG | ARG | LEU | ||||
| 3 | ALA | ALA | GLY | ILE | ASP | LEU | GLY | THR | THR | ASN | ||||
| 4 | SER | LEU | VAL | ALA | THR | VAL | ARG | SER | GLY | GLN | ||||
| 5 | ALA | GLU | THR | LEU | ALA | ASP | HIS | GLU | GLY | ARG | ||||
| 6 | HIS | LEU | LEU | PRO | SER | VAL | VAL | HIS | TYR | GLN | ||||
| 7 | GLN | GLN | GLY | HIS | SER | VAL | GLY | TYR | ASP | ALA | ||||
| 8 | ARG | THR | ASN | ALA | ALA | LEU | ASP | THR | ALA | ASN | ||||
| 9 | THR | ILE | SER | SER | VAL | LYS | ARG | LEU | MET | GLY | ||||
| 10 | ARG | SER | LEU | ALA | ASP | ILE | GLN | GLN | ARG | TYR | ||||
| 11 | PRO | HIS | LEU | PRO | TYR | GLN | PHE | GLN | ALA | SER | ||||
| 12 | GLU | ASN | GLY | LEU | PRO | MET | ILE | GLU | THR | ALA | ||||
| 13 | ALA | GLY | LEU | LEU | ASN | PRO | VAL | ARG | VAL | SER | ||||
| 14 | ALA | ASP | ILE | LEU | LYS | ALA | LEU | ALA | ALA | ARG | ||||
| 15 | ALA | THR | GLU | ALA | LEU | ALA | GLY | GLU | LEU | ASP | ||||
| 16 | GLY | VAL | VAL | ILE | THR | VAL | PRO | ALA | TYR | PHE | ||||
| 17 | ASP | ASP | ALA | GLN | ARG | GLN | GLY | THR | LYS | ASP | ||||
| 18 | ALA | ALA | ARG | LEU | ALA | GLY | LEU | HIS | VAL | LEU | ||||
| 19 | ARG | LEU | LEU | ASN | GLU | PRO | THR | ALA | ALA | ALA | ||||
| 20 | ILE | ALA | TYR | GLY | LEU | ASP | SER | GLY | GLN | GLU | ||||
| 21 | GLY | VAL | ILE | ALA | VAL | TYR | ASP | LEU | GLY | GLY | ||||
| 22 | GLY | THR | PHE | ASP | ILE | SER | ILE | LEU | ARG | LEU | ||||
| 23 | SER | ARG | GLY | VAL | PHE | GLU | VAL | LEU | ALA | THR | ||||
| 24 | GLY | GLY | ASP | SER | ALA | LEU | GLY | GLY | ASP | ASP | ||||
| 25 | PHE | ASP | HIS | LEU | LEU | ALA | ASP | TYR | ILE | ARG | ||||
| 26 | GLU | GLN | ALA | GLY | ILE | PRO | ASP | ARG | SER | ASP | ||||
| 27 | ASN | ARG | VAL | GLN | ARG | GLU | LEU | LEU | ASP | ALA | ||||
| 28 | ALA | ILE | ALA | ALA | LYS | ILE | ALA | LEU | SER | ASP | ||||
| 29 | ALA | ASP | SER | VAL | THR | VAL | ASN | VAL | ALA | GLY | ||||
| 30 | TRP | GLN | GLY | GLU | ILE | SER | ARG | GLU | GLN | PHE | ||||
| 31 | ASN | GLU | LEU | ILE | ALA | PRO | LEU | VAL | LYS | ARG | ||||
| 32 | THR | LEU | LEU | ALA | CYS | ARG | ARG | ALA | LEU | LYS | ||||
| 33 | ASP | ALA | GLY | VAL | GLU | ALA | ASP | GLU | VAL | LEU | ||||
| 34 | GLU | VAL | VAL | MET | VAL | GLY | GLY | SER | THR | ARG | ||||
| 35 | VAL | PRO | LEU | VAL | ARG | GLU | ARG | VAL | GLY | GLU | ||||
| 36 | PHE | PHE | GLY | ARG | PRO | PRO | LEU | THR | SER | ILE | ||||
| 37 | ASP | PRO | ASP | LYS | VAL | VAL | ALA | ILE | GLY | ALA | ||||
| 38 | ALA | ILE | GLN | ALA | ASP | ILE | LEU | VAL | GLY | ASN | ||||
| 39 | LYS | PRO | ASP | SER | GLU | MET | LEU | LEU | LEU | ASP | ||||
| 40 | VAL | ILE | PRO | LEU | SER | LEU | GLY | LEU | GLU | THR | ||||
| 41 | MET | GLY | GLY | LEU | VAL | GLU | LYS | VAL | ILE | PRO | ||||
| 42 | ARG | ASN | THR | THR | ILE | PRO | VAL | ALA | ARG | ALA | ||||
| 43 | GLN | ASP | PHE | THR | THR | PHE | LYS | ASP | GLY | GLN | ||||
| 44 | THR | ALA | MET | SER | ILE | HIS | VAL | MET | GLN | GLY | ||||
| 45 | GLU | ARG | GLU | LEU | VAL | GLN | ASP | CYS | ARG | SER | ||||
| 46 | LEU | ALA | ARG | PHE | ALA | LEU | ARG | GLY | ILE | PRO | ||||
| 47 | ALA | LEU | PRO | ALA | GLY | GLY | ALA | HIS | ILE | ARG | ||||
| 48 | VAL | THR | PHE | GLN | VAL | ASP | ALA | ASP | GLY | LEU | ||||
| 49 | LEU | SER | VAL | THR | ALA | MET | GLU | LYS | SER | THR | ||||
| 50 | GLY | VAL | GLU | ALA | SER | ILE | GLN | VAL | LYS | PRO | ||||
| 51 | SER | TYR | GLY | LEU | THR | ASP | SER | GLU | ILE | ALA | ||||
| 52 | SER | MET | ILE | LYS | ASP | SER | MET | SER | TYR | ALA | ||||
| 53 | GLU | GLN | ASP | VAL | LYS | ALA | ARG | MET | LEU | ALA | ||||
| 54 | GLU | GLN | LYS | VAL | GLU | ALA | ALA | ARG | VAL | LEU | ||||
| 55 | GLU | SER | LEU | HIS | GLY | ALA | LEU | ALA | ALA | ASP | ||||
| 56 | ALA | ALA | LEU | LEU | SER | ALA | ALA | GLU | ARG | GLN | ||||
| 57 | VAL | ILE | ASP | ASP | ALA | ALA | ALA | HIS | LEU | SER | ||||
| 58 | GLU | VAL | ALA | GLN | GLY | ASP | ASP | VAL | ASP | ALA | ||||
| 59 | ILE | GLU | LYS | ALA | ILE | LYS | ASN | VAL | ASP | LYS | ||||
| 60 | GLN | THR | GLN | ASP | PHE | ALA | ALA | ARG | ARG | MET | ||||
| 61 | ASP | GLN | SER | VAL | ARG | ARG | ALA | LEU | LYS | GLY | ||||
| 62 | HIS | SER | VAL | ASP | GLU | VAL |
Samples:
sample_1: IscU, [U-13C; U-15N], 1.0 – 1.5 mM; TRIS 50 mM; DTT 5 mM; EDTA 0.5 mM; HscA2.0 – 3.0 mM; DSS 0.7 mM; D2O, [U-99% 2H], 7%; sodium azide 0.02%; D2O, [U-99% 2H], 7%
sample_conditions_1: ionic strength: 0 M; pH: 7.5; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D HN(CO)CA | sample_1 | isotropic | sample_conditions_1 |
Software:
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
VNMRJ, Varian - collection
SPARKY, Goddard - chemical shift assignment, data analysis, peak picking
NMR spectrometers:
- Varian VNMRS 600 MHz
- Varian VNMRS 900 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts