BMRB Entry 16940
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR16940
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NMR-STAR v3 text file.
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Citation: Lechtenberg, Bernhard; Johnson, Daniel; Freund, Stefan; Huntington, James. "NMR resonance assignments of thrombin reveal the conformational and dynamic effects of ligation." Proc. Natl. Acad. Sci. U.S.A. 107, 14087-14092 (2010).
PubMed: 20660315
Assembly members:
Thrombin, polymer, 295 residues, 33810 Da.
Hirugen, polymer, 12 residues, 1468 Da.
PPACK, polymer, 4 residues, Formula weight is not available
NA, non-polymer, 22.990 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 Vector: pET23a
Entity Sequences (FASTA):
Thrombin: TFGSGEADCGLRPLFEKKSL
EDKTERELLESYIDGRIVEG
SDAEIGMSPWQVMLFRKSPQ
ELLCGASLISDRWVLTAAHC
LLYPPWDKNFTENDLLVRIG
KHSRTRYERNIEKISMLEKI
YIHPRYNWRENLDRDIALMK
LKKPVAFSDYIHPVCLPDRE
TAASLLQAGYKGRVTGWGNL
KETWTANVGKGQPSVLQVVN
LPIVERPVCKDSTRIRITDN
MFCAGYKPDEGKRGDACEGD
SGGPFVMKSPFNNRWYQMGI
VSWGEGCDRDGKYGFYTHVF
RLKKWIQKVIDQFGE
Hirugen: GDFEEIPEEYLQ
PPACK: FPRX
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 525 |
| 15N chemical shifts | 253 |
| 1H chemical shifts | 253 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Thrombin | 1 |
| 2 | Hirugen | 2 |
| 3 | PPACK | 3 |
| 4 | Sodium | 4 |
Entities:
Entity 1, Thrombin 295 residues - 33810 Da.
Light and heavy chain of thrombin. Cleavage after R320
| 1 | THR | PHE | GLY | SER | GLY | GLU | ALA | ASP | CYS | GLY | ||||
| 2 | LEU | ARG | PRO | LEU | PHE | GLU | LYS | LYS | SER | LEU | ||||
| 3 | GLU | ASP | LYS | THR | GLU | ARG | GLU | LEU | LEU | GLU | ||||
| 4 | SER | TYR | ILE | ASP | GLY | ARG | ILE | VAL | GLU | GLY | ||||
| 5 | SER | ASP | ALA | GLU | ILE | GLY | MET | SER | PRO | TRP | ||||
| 6 | GLN | VAL | MET | LEU | PHE | ARG | LYS | SER | PRO | GLN | ||||
| 7 | GLU | LEU | LEU | CYS | GLY | ALA | SER | LEU | ILE | SER | ||||
| 8 | ASP | ARG | TRP | VAL | LEU | THR | ALA | ALA | HIS | CYS | ||||
| 9 | LEU | LEU | TYR | PRO | PRO | TRP | ASP | LYS | ASN | PHE | ||||
| 10 | THR | GLU | ASN | ASP | LEU | LEU | VAL | ARG | ILE | GLY | ||||
| 11 | LYS | HIS | SER | ARG | THR | ARG | TYR | GLU | ARG | ASN | ||||
| 12 | ILE | GLU | LYS | ILE | SER | MET | LEU | GLU | LYS | ILE | ||||
| 13 | TYR | ILE | HIS | PRO | ARG | TYR | ASN | TRP | ARG | GLU | ||||
| 14 | ASN | LEU | ASP | ARG | ASP | ILE | ALA | LEU | MET | LYS | ||||
| 15 | LEU | LYS | LYS | PRO | VAL | ALA | PHE | SER | ASP | TYR | ||||
| 16 | ILE | HIS | PRO | VAL | CYS | LEU | PRO | ASP | ARG | GLU | ||||
| 17 | THR | ALA | ALA | SER | LEU | LEU | GLN | ALA | GLY | TYR | ||||
| 18 | LYS | GLY | ARG | VAL | THR | GLY | TRP | GLY | ASN | LEU | ||||
| 19 | LYS | GLU | THR | TRP | THR | ALA | ASN | VAL | GLY | LYS | ||||
| 20 | GLY | GLN | PRO | SER | VAL | LEU | GLN | VAL | VAL | ASN | ||||
| 21 | LEU | PRO | ILE | VAL | GLU | ARG | PRO | VAL | CYS | LYS | ||||
| 22 | ASP | SER | THR | ARG | ILE | ARG | ILE | THR | ASP | ASN | ||||
| 23 | MET | PHE | CYS | ALA | GLY | TYR | LYS | PRO | ASP | GLU | ||||
| 24 | GLY | LYS | ARG | GLY | ASP | ALA | CYS | GLU | GLY | ASP | ||||
| 25 | SER | GLY | GLY | PRO | PHE | VAL | MET | LYS | SER | PRO | ||||
| 26 | PHE | ASN | ASN | ARG | TRP | TYR | GLN | MET | GLY | ILE | ||||
| 27 | VAL | SER | TRP | GLY | GLU | GLY | CYS | ASP | ARG | ASP | ||||
| 28 | GLY | LYS | TYR | GLY | PHE | TYR | THR | HIS | VAL | PHE | ||||
| 29 | ARG | LEU | LYS | LYS | TRP | ILE | GLN | LYS | VAL | ILE | ||||
| 30 | ASP | GLN | PHE | GLY | GLU |
Entity 2, Hirugen 12 residues - 1468 Da.
C-terminal peptide of thrombin inhibitor Hirudin
| 1 | GLY | ASP | PHE | GLU | GLU | ILE | PRO | GLU | GLU | TYR | ||||
| 2 | LEU | GLN |
Entity 3, PPACK 4 residues - Formula weight is not available
| 1 | PHE | PRO | ARG | CHM |
Entity 4, Sodium - Na - 22.990 Da.
| 1 | NA |
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated peaks
SPARKY: Backbone
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