BMRB Entry 15488
Chem Shift validation: AVS_anomalous, AVS_full
BMRB Entry DOI: doi:10.13018/BMR15488
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NMR-STAR v3 text file.
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Citation: Vajpai, Navratna; Strauss, Andre; Fendrich, Gabriele; Cowan-Jacob, Sandra; Manley, Paul; Jahnke, Wolfgang; Grzesiek, Stephan. "Backbone NMR resonance assignment of the Abelson kinase domain in complex with imatinib" Biomol. NMR Assignments 2, 41-42 (2008).
PubMed: 19636920
Assembly members:
ABL_kinase_domain_GAMDP-S229-S500, polymer, 277 residues, 32014.7 Da.
4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, non-polymer, 493.603 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: Baculovirus-infected insect cells Vector: Sf9
Entity Sequences (FASTA):
ABL_kinase_domain_GAMDP-S229-S500: GAMDPSPNYDKWEMERTDIT
MKHKLGGGQYGEVYEGVWKK
YSLTVAVKTLKEDTMEVEEF
LKEAAVMKEIKHPNLVQLLG
VCTREPPFYIITEFMTYGNL
LDYLRECNRQEVNAVVLLYM
ATQISSAMEYLEKKNFIHRD
LAARNCLVGENHLVKVADFG
LSRLMTGDTYTAHAGAKFPI
KWTAPESLAYNKFSIKSDVW
AFGVLLWEIATYGMSPYPGI
DLSQVYELLEKDYRMERPEG
CPEKVYELMRACWQWNPSDR
PSFAEIHQAFETMFQES
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 516 |
| 1H chemical shifts | 254 |
| 15N chemical shifts | 254 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | ABL kinase domain | 1 |
| 2 | imatinib | 2 |
Entities:
Entity 1, ABL kinase domain 277 residues - 32014.7 Da.
GAMDP comes as cloning artifact. Real sequence starts from S229 to S500.
| 1 | GLY | ALA | MET | ASP | PRO | SER | PRO | ASN | TYR | ASP | ||||
| 2 | LYS | TRP | GLU | MET | GLU | ARG | THR | ASP | ILE | THR | ||||
| 3 | MET | LYS | HIS | LYS | LEU | GLY | GLY | GLY | GLN | TYR | ||||
| 4 | GLY | GLU | VAL | TYR | GLU | GLY | VAL | TRP | LYS | LYS | ||||
| 5 | TYR | SER | LEU | THR | VAL | ALA | VAL | LYS | THR | LEU | ||||
| 6 | LYS | GLU | ASP | THR | MET | GLU | VAL | GLU | GLU | PHE | ||||
| 7 | LEU | LYS | GLU | ALA | ALA | VAL | MET | LYS | GLU | ILE | ||||
| 8 | LYS | HIS | PRO | ASN | LEU | VAL | GLN | LEU | LEU | GLY | ||||
| 9 | VAL | CYS | THR | ARG | GLU | PRO | PRO | PHE | TYR | ILE | ||||
| 10 | ILE | THR | GLU | PHE | MET | THR | TYR | GLY | ASN | LEU | ||||
| 11 | LEU | ASP | TYR | LEU | ARG | GLU | CYS | ASN | ARG | GLN | ||||
| 12 | GLU | VAL | ASN | ALA | VAL | VAL | LEU | LEU | TYR | MET | ||||
| 13 | ALA | THR | GLN | ILE | SER | SER | ALA | MET | GLU | TYR | ||||
| 14 | LEU | GLU | LYS | LYS | ASN | PHE | ILE | HIS | ARG | ASP | ||||
| 15 | LEU | ALA | ALA | ARG | ASN | CYS | LEU | VAL | GLY | GLU | ||||
| 16 | ASN | HIS | LEU | VAL | LYS | VAL | ALA | ASP | PHE | GLY | ||||
| 17 | LEU | SER | ARG | LEU | MET | THR | GLY | ASP | THR | TYR | ||||
| 18 | THR | ALA | HIS | ALA | GLY | ALA | LYS | PHE | PRO | ILE | ||||
| 19 | LYS | TRP | THR | ALA | PRO | GLU | SER | LEU | ALA | TYR | ||||
| 20 | ASN | LYS | PHE | SER | ILE | LYS | SER | ASP | VAL | TRP | ||||
| 21 | ALA | PHE | GLY | VAL | LEU | LEU | TRP | GLU | ILE | ALA | ||||
| 22 | THR | TYR | GLY | MET | SER | PRO | TYR | PRO | GLY | ILE | ||||
| 23 | ASP | LEU | SER | GLN | VAL | TYR | GLU | LEU | LEU | GLU | ||||
| 24 | LYS | ASP | TYR | ARG | MET | GLU | ARG | PRO | GLU | GLY | ||||
| 25 | CYS | PRO | GLU | LYS | VAL | TYR | GLU | LEU | MET | ARG | ||||
| 26 | ALA | CYS | TRP | GLN | TRP | ASN | PRO | SER | ASP | ARG | ||||
| 27 | PRO | SER | PHE | ALA | GLU | ILE | HIS | GLN | ALA | PHE | ||||
| 28 | GLU | THR | MET | PHE | GLN | GLU | SER |
Entity 2, imatinib - C29 H31 N7 O - 493.603 Da.
| 1 | STI |
Related Database Links:
| PDB | 1FPU 1IEP 1M52 1OPJ 1OPK 1OPL 2E2B 2F4J 2FO0 2G1T 2G2F 2G2H 2G2I 2GQG 2HIW 2HYY 2HZ0 2HZ4 2HZI 2HZN 2QOH 2V7A 2Z60 3CS9 3DK3 3DK6 3DK7 3IK3 3K5V 3KF4 3KFA 3MS9 3MSS 3OXZ 3OY3 3PYY 3QRI 3QRJ 3QRK 3UE4 4TWP 4WA9 4XEY |
| DBJ | BAC41088 BAD92693 BAD92879 BAE38629 BAE43394 |
| EMBL | CAA24781 CAA34438 CAB56204 CDQ98411 |
| GB | AAA51561 AAA88241 AAB60393 AAB60394 AAC82569 |
| REF | NP_001094320 NP_001106174 NP_001193789 NP_001269974 NP_001269975 |
| SP | P00519 P00520 P00521 P10447 |
| TPG | DAA24240 |
| AlphaFold | P00519 P00520 P00521 P10447 |
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated peaks
SPARKY: Backbone
or all simulated peaks