MolNFT v1 · #179390 · protein
Crystal structure of the second bromodomain (BD2) of human TAF1 bound to dioxane
7K42 · Transcription initiation factor tfiid subunit 1: “Crystal structure of the second bromodomain (BD2) of human TAF1 bound to dioxane”. X-ray diffraction, 1 ligand (SO4), 4 pockets (best druggability 0.51). MolNFT v1 #179390 on…
- PDB
- 7K42
- Type
- protein
- Length
- 246 residues
- Chains
- 2
- 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
- SO4
- Pockets
- 4 · best druggability 0.51
Structure
x-ray diffraction · 1 distinct chain · 68% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Transcription initiation factor tfiid subunit 1 (EC 2.3.1.48, 2.7.11.1) | protein | 123 | 68% helix, 0% strand | P21675 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 2 copies · chains A, B
- EDO · 1,2-ethanediol · additive · 22 copies · chains A, B
- DIO · 1,4-diethylene dioxide · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 97 | 0.51 | 0.82 | 20 | DIO, EDO |
| 2 | 116 | 0.48 | 0.79 | 19 | DIO, EDO |
| 3 | 69 | 0.43 | 0.81 | 17 | EDO |
| 4 | 56 | 0.29 | 0.74 | 12 | EDO |
Interfaces
1 interface between chains.
- A–B · 733 Ų buried · 7 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 covalent (additive adduct).
Compared structures
- 7K42 · Crystal structure of the second bromodomain (BD2) of human TAF1 bound to dioxane · 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 7K42 · PDBe 7K42 · UniProt P21675
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