BMRB Entry 16933
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR16933
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Citation: Sapienza, Paul; Mauldin, Randall; Lee, Andrew. "Multi-Timescale Dynamics Study of FKBP12 Along the Rapamycin-mTOR Binding Coordinate." J. Mol. Biol. 405, 378-394 (2011).
PubMed: 21073880
Assembly members:
FKBP12, polymer, 107 residues, 11819.5 Da.
FRB, polymer, 102 residues, 12227.9 Da.
RAP, non-polymer, 914.172 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: pGEX
- assigned_chemical_shifts
- order_parameters
| Data type | Count |
| 13C chemical shifts | 185 |
| 15N chemical shifts | 94 |
| 1H chemical shifts | 94 |
| order parameters | 88 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | FKBP12 | 1 |
| 2 | rapamycin | 3 |
| 3 | FRB | 2 |
Entities:
Entity 1, FKBP12 107 residues - 11819.5 Da.
| 1 | GLY | VAL | GLN | VAL | GLU | THR | ILE | SER | PRO | GLY | ||||
| 2 | ASP | GLY | ARG | THR | PHE | PRO | LYS | ARG | GLY | GLN | ||||
| 3 | THR | CYS | VAL | VAL | HIS | TYR | THR | GLY | MET | LEU | ||||
| 4 | GLU | ASP | GLY | LYS | LYS | PHE | ASP | SER | SER | ARG | ||||
| 5 | ASP | ARG | ASN | LYS | PRO | PHE | LYS | PHE | MET | LEU | ||||
| 6 | GLY | LYS | GLN | GLU | VAL | ILE | ARG | GLY | TRP | GLU | ||||
| 7 | GLU | GLY | VAL | ALA | GLN | MET | SER | VAL | GLY | GLN | ||||
| 8 | ARG | ALA | LYS | LEU | THR | ILE | SER | PRO | ASP | TYR | ||||
| 9 | ALA | TYR | GLY | ALA | THR | GLY | HIS | PRO | GLY | ILE | ||||
| 10 | ILE | PRO | PRO | HIS | ALA | THR | LEU | VAL | PHE | ASP | ||||
| 11 | VAL | GLU | LEU | LEU | LYS | LEU | GLU |
Entity 3, rapamycin - C51 H79 N O13 - 914.172 Da.
| 1 | RAP |
Entity 2, FRB 102 residues - 12227.9 Da.
| 1 | GLY | SER | GLU | LEU | ILE | ARG | VAL | ALA | ILE | LEU | ||||
| 2 | TRP | HIS | GLU | MET | TRP | HIS | GLU | GLY | LEU | GLU | ||||
| 3 | GLU | ALA | SER | ARG | LEU | TYR | PHE | GLY | GLU | ARG | ||||
| 4 | ASN | VAL | LYS | GLY | MET | PHE | GLU | VAL | LEU | GLU | ||||
| 5 | PRO | LEU | HIS | ALA | MET | MET | GLU | ARG | GLY | PRO | ||||
| 6 | GLN | THR | LEU | LYS | GLU | THR | SER | PHE | ASN | GLN | ||||
| 7 | ALA | TYR | GLY | ARG | ASP | LEU | MET | GLU | ALA | GLN | ||||
| 8 | GLU | TRP | CYS | ARG | LYS | TYR | MET | LYS | SER | GLY | ||||
| 9 | ASN | VAL | LYS | ASP | LEU | THR | GLN | ALA | TRP | ASP | ||||
| 10 | LEU | TYR | TYR | HIS | VAL | PHE | ARG | ARG | ILE | SER | ||||
| 11 | LYS | GLN |
Related Database Links:
| BMRB | 11471 16925 16931 19240 19241 11471 6760 |
| PDB | 1A7X 1B6C 1BKF 1BL4 1D6O 1D7H 1D7I 1D7J 1EYM 1F40 1FAP 1FKB 1FKD 1FKF 1FKG 1FKH 1FKI 1FKJ 1FKK 1FKL 1FKR 1FKS 1FKT 1J4H 1J4I 1J4R 1NSG 1QPF 1QPL 1TCO 2DG3 2DG4 2DG9 2FAP 2FKE 2PPN 2PPO 2PPP 2RSE 3FAP 3H9R 3MDY 4DH0 4FAP 4IPX 4N19 1AUE 2GAQ 2NPU 4DRH 4DRI 4DRJ 4JSN 4JSP 4JSV 4JSX 4JT5 4JT6 |
| DBJ | BAB22351 BAB27125 BAB31680 BAE32804 BAE40271 BAE06077 BAF44666 BAG10549 BAG54371 |
| EMBL | CAA36462 CAA39272 CAA42762 CAG28541 CAG46965 CAC15570 CAC42395 CAG01719 CDQ74047 |
| GB | AAA19163 AAA31252 AAA35844 AAA58472 AAA58476 AAA20091 AAA58486 AAA65929 AAB32957 AAC39933 |
| PRF | 1613455A 2014422A |
| REF | NP_000792 NP_001030533 NP_001033089 NP_001164597 NP_001239119 NP_001070679 NP_001138927 NP_001272677 NP_004949 NP_063971 |
| SP | P18203 P26883 P62942 P62943 Q62658 P42345 P42346 Q9JLN9 |
| TPG | DAA23300 DAA21300 |
| AlphaFold | P18203 P26883 P62942 P62943 Q62658 P42345 P42346 Q9JLN9 |
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated peaks
SPARKY: Backbone
or all simulated peaks