BMRB Entry 5248
Chem Shift validation: AVS_anomalous, AVS_full
BMRB Entry DOI: doi:10.13018/BMR5248
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Title: NMR Solution Structure of the Isolated Apo Pin1 WW Domain: Comparison to the X-Ray Crystal Structures of Pin 1 PubMed: 11786999
Deposition date: 2002-01-03 Original release date: 2002-02-05
Authors: Kowalski, Jennifer; Liu, Kai; Kelly, Jeffery
Citation: Kowalski, Jennifer; Liu, Kai; Kelly, Jeffery. "NMR Solution Structure of the Isolated Apo Pin1 WW Domain: Comaprison to the X-Ray Crystal Structures of Pin 1" Biopolymers 63, 111-121 (2002).
Assembly members:
Pin1 WW domain, polymer, 39 residues, Formula weight is not available
Natural source: Common Name: Human Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
Pin1 WW domain: MADEEKLPPGWEKRMSRSSG
RVYYFNHITNASQWERPSG
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 196 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Pin1 N-terminal WW Domain | 1 |
Entities:
Entity 1, Pin1 N-terminal WW Domain 39 residues - Formula weight is not available
| 1 | MET | ALA | ASP | GLU | GLU | LYS | LEU | PRO | PRO | GLY | ||||
| 2 | TRP | GLU | LYS | ARG | MET | SER | ARG | SER | SER | GLY | ||||
| 3 | ARG | VAL | TYR | TYR | PHE | ASN | HIS | ILE | THR | ASN | ||||
| 4 | ALA | SER | GLN | TRP | GLU | ARG | PRO | SER | GLY |
Samples:
sample_1: Pin1 WW domain1 – 1.2 mM
Only_Conditions: pH: 6.2 na; temperature: 278 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| DQF-COSY | not available | not available | not available |
| NOESY | not available | not available | not available |
| TOCSY | not available | not available | not available |
| D2O-NOESY | not available | not available | not available |
Software:
PROSA - data processing
xeasy - data display, data analysis
GARANT - automated peak assignments
NMR spectrometers:
- BRUKER AMX 600 MHz
- BRUKER DMX 750 MHz
Related Database Links:
| BMRB | 16070 16088 17545 19258 19259 4882 5305 |
| PDB | |
| DBJ | BAA87037 BAA87038 BAB22270 BAB22743 BAC35631 |
| EMBL | CAG28582 |
| GB | AAC50492 AAF43897 AAH02899 AAH38254 AAH77447 |
| PRF | 2209428A |
| REF | NP_001029804 NP_001084236 NP_001100171 NP_001231300 NP_001270625 |
| SP | Q13526 Q4R383 Q5BIN5 Q9QUR7 |
| TPG | DAA28013 |
| AlphaFold | Q5BIN5 Q13526 Q4R383 Q9QUR7 |