BMRB Entry 15671
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full
BMRB Entry DOI: doi:10.13018/BMR15671
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Title: Solution structure of the TAF3 PHD domain in complex with a H3K4me3 peptide PubMed: 18682226
Deposition date: 2008-02-22 Original release date: 2008-08-22
Authors: van Ingen, Hugo; van Schaik, Frederik; Wienk, Hans; Timmers, Marc; Boelens, Rolf
Citation: van Ingen, Hugo; van Schaik, Frederik; Wienk, Hans; Ballering, Joost; Rehmann, Holger; Deschesne, Annemarie; Kruijzer, John; Liskamp, Rob; Timmers, H. Th. Marc; Boelens, Rolf. "Structural Insight into the Recognition of the H3K4me3 Mark by the TFIID Subunit TAF3" Structure 16, 1245-1256 (2008).
Assembly members:
TAF3_PHD, polymer, 75 residues, 8611.966 Da.
ZN, non-polymer, 65.409 Da.
H3K4me3, polymer, 13 residues, Formula weight is not available
Natural source: Common Name: not available Taxonomy ID: 10090 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Mus musculus
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
TAF3_PHD: GSHMAMAYVIRDEWGNQIWI
CPGCNKPDDGSPMIGCDDCD
DWYHWPCVGIMAAPPEEMQW
FCPKCANKIKKDKKH
H3K4me3: ARTXQTARKSTGG
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 236 |
| 15N chemical shifts | 76 |
| 1H chemical shifts | 577 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | TAF3_PHD | 1 |
| 2 | ZINC ION_1 | 2 |
| 3 | ZINC ION_2 | 2 |
| 4 | TAF3_PHD | 3 |
Entities:
Entity 1, TAF3_PHD 75 residues - 8611.966 Da.
Residues 850-857 are non-native remaining from thrombin cleavage site
| 1 | GLY | SER | HIS | MET | ALA | MET | ALA | TYR | VAL | ILE | ||||
| 2 | ARG | ASP | GLU | TRP | GLY | ASN | GLN | ILE | TRP | ILE | ||||
| 3 | CYS | PRO | GLY | CYS | ASN | LYS | PRO | ASP | ASP | GLY | ||||
| 4 | SER | PRO | MET | ILE | GLY | CYS | ASP | ASP | CYS | ASP | ||||
| 5 | ASP | TRP | TYR | HIS | TRP | PRO | CYS | VAL | GLY | ILE | ||||
| 6 | MET | ALA | ALA | PRO | PRO | GLU | GLU | MET | GLN | TRP | ||||
| 7 | PHE | CYS | PRO | LYS | CYS | ALA | ASN | LYS | ILE | LYS | ||||
| 8 | LYS | ASP | LYS | LYS | HIS |
Entity 2, ZINC ION_1 - Zn - 65.409 Da.
| 1 | ZN |
Entity 3, TAF3_PHD 13 residues - Formula weight is not available
contains trimethylated lysine at position 4, M3L
| 1 | ALA | ARG | THR | M3L | GLN | THR | ALA | ARG | LYS | SER | ||||
| 2 | THR | GLY | GLY |
Samples:
sample_1: TAF3_PHD, [U-13C; U-15N], 0.4 mM; H3K4me3, [U-13C; U-15N], 0.4 mM; potassium chloride 150 mM; potassium phosphate 20 mM; ZnCl2 0.01 mM
sample_conditions_1: pH: 7; pressure: 1 atm; temperature: 293 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
Software:
CNS, Brunger, Adams, Clore, Gros, Nilges and Read - refinement
CYANA, Guntert, Mumenthaler and Wuthrich - structure solution
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
SPARKY, Goddard - data analysis
NMR spectrometers:
- Bruker Avance 900 MHz
- Bruker Avance 750 MHz
- Bruker Avance 700 MHz
- Bruker Avance 600 MHz
Related Database Links:
| BMRB | 15670 |
| PDB | |
| DBJ | BAE22792 BAE32543 |
| EMBL | CAC34476 |
| GB | AAH89030 AAI37618 AAI37619 AAI72366 EDL08000 |
| REF | NP_001258271 NP_082024 NP_114129 XP_001157768 XP_002808540 |
| SP | Q5HZG4 Q5VWG9 |
| SWS | P68431 |
Download simulated HSQC data in one of the following formats:
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SPARKY: Backbone
or all simulated shifts