MolNFT v1 · #179325 · protein
Crystal structure of the tandem bromodomain (BD1, BD2) of human TAF1 bound to atr inhibitor AZ20
7K27 · Transcription initiation factor tfiid subunit 1: “Crystal structure of the tandem bromodomain (BD1, BD2) of human TAF1 bound to atr inhibitor AZ20”. X-ray diffraction, 1 ligand (VCD), 3 pockets (best druggability 0.65). MolNFT v1…
- PDB
- 7K27
- Type
- protein
- Length
- 247 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
- VCD
- Pockets
- 3 · best druggability 0.65
Structure
x-ray diffraction · 1 distinct chain · 70% 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 | 247 | 70% helix, 0% strand | P21675 |
Ligands and binding sites
- VCD · 4-{4-[(3R)-3-methylmorpholin-4-yl]-6-[1-(methylsulfonyl)cyclopropyl]pyrimidin-2-yl}-1H-indole · ligand · chains A
- EDO · 1,2-ethanediol · additive · 4 copies · chains A
- DMS · Dimethyl sulfoxide · additive · chains A
- GOL · Glycerol · additive · 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, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 381 | 0.65 | 0.79 | 41 | EDO, VCD |
| 2 | 62 | 0.42 | 0.81 | 16 | EDO |
| 3 | 61 | 0.29 | 0.74 | 14 | empty |
Compared structures
- 7K27 · Crystal structure of the tandem bromodomain (BD1, BD2) of human TAF1 bound to ATR… · the same entry in another collection · chain A against A, TM-score 1.00
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 7K27 · PDBe 7K27 · UniProt P21675
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