MolNFT v1 · #159852 · protein
Crystal structure analysis of TAF1 bromodomain
6P3A · Transcription initiation factor tfiid subunit 1: “Crystal structure analysis of TAF1 bromodomain”. X-ray diffraction, 1 ligand (NQP), 3 pockets (best druggability 0.64). MolNFT v1 #159852 on GenesisL1: 3D structure, binding sites…
- PDB
- 6P3A
- Type
- protein
- Length
- 254 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
- NQP
- Pockets
- 3 · best druggability 0.64
Structure
x-ray diffraction · 2 distinct chains · 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 | 128 | 70% helix, 0% strand | P21675 |
| B | Transcription initiation factor tfiid subunit 1 (EC 2.3.1.48, 2.7.11.1) | protein | 126 | 71% helix, 0% strand | P21675 |
Ligands and binding sites
- NQP · 4-{[(3R)-1-(but-3-en-1-yl)-3-methyl-4-(oxan-4-yl)-2-oxo-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-6-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl) benzamide · ligand · 2 copies · chains A, B
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 | 233 | 0.64 | 0.83 | 36 | NQP |
| 2 | 120 | 0.53 | 0.81 | 18 | NQP |
| 3 | 137 | 0.39 | 0.74 | 19 | empty |
Interfaces
1 interface between chains.
- A–B · 436 Ų buried · 1 hydrogen bond · protein-protein
Modifications
Observed in the structure: 1 covalent (covalent ligand).
Compared structures
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 6P3A · PDBe 6P3A · UniProt P21675
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.