MolNFT v1 · #179268 · protein
Crystal structure of the tandem bromodomain (BD1, BD2) of human TAF1 bound to MTORC1/2 inhibitor AZD3147
7K0D · Transcription initiation factor tfiid subunit 1: “Crystal structure of the tandem bromodomain (BD1, BD2) of human TAF1 bound to MTORC1/2 inhibitor AZD3147”. X-ray diffraction, 1 ligand (VQS), 3 pockets (best druggability 0.51).…
- PDB
- 7K0D
- Type
- protein
- Length
- 250 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Transcription initiation factor tfiid subunit 1
- EC
- 2.3.1.48, 2.7.11.1
- UniProt
- P21675
- Ligands
- VQS
- Pockets
- 3 · best druggability 0.51
Structure
x-ray diffraction · 1 distinct chain · 67% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Transcription initiation factor tfiid subunit 1 (EC 2.3.1.48, 2.7.11.1) | protein | 250 | 67% helix, 0% strand | P21675 |
Ligands and binding sites
- VQS · N-(4-{4-[1-(cyclopropylsulfonyl)cyclopropyl]-6-[(3S)-3-methylmorpholin-4-yl]pyrimidin-2-yl}phenyl)-N'-(2-hydroxyethyl)thiourea · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 121 | 0.51 | 0.80 | 20 | VQS |
| 2 | 294 | 0.50 | 0.73 | 39 | empty |
| 3 | 76 | 0.45 | 0.81 | 21 | empty |
Compared structures
- 7K0D · Crystal structure of the tandem bromodomain (BD1, BD2) of human TAF1 bound to mTORC1/2… · the same entry in another collection · chain A against A, TM-score 1.00
- P21675 · AlphaFold monomer V2.0 prediction for transcription initiation factor tfiid subunit 1… · a predicted model of the same protein · chain A against A, TM-score 0.56
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt P21675
- Elsewhere: RCSB PDB 7K0D · PDBe 7K0D · UniProt P21675
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