MolNFT v1 · #180784 · protein
Crystal structure of the tandem bromodomain (BD1, BD2) of human TAF1 bound to ZS1-585
7LB1 · Transcription initiation factor tfiid subunit 1: “Crystal structure of the tandem bromodomain (BD1, BD2) of human TAF1 bound to ZS1-585”. X-ray diffraction, 1 ligand (XWV), 4 pockets (best druggability 0.61). MolNFT v1 #180784 on…
- PDB
- 7LB1
- Type
- protein
- Length
- 249 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
- XWV
- Pockets
- 4 · best druggability 0.61
Structure
x-ray diffraction · 1 distinct chain · 71% 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 | 249 | 71% helix, 0% strand | P21675 |
Ligands and binding sites
- XWV · 5-{4-[(3R)-3-methylmorpholin-4-yl]-6-[1-(S-methylsulfonimidoyl)cyclopropyl]pyrimidin-2-yl}isoquinoline · ligand · chains A
- EDO · 1,2-ethanediol · additive · 18 copies · chains A
- PEG · Di(hydroxyethyl)ether · additive · chains A
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 | 287 | 0.61 | 0.79 | 27 | EDO |
| 2 | 107 | 0.46 | 0.79 | 22 | XWV |
| 3 | 66 | 0.42 | 0.80 | 16 | EDO |
| 4 | 65 | 0.31 | 0.75 | 14 | EDO |
Compared structures
- 7LB1 · Crystal structure of the tandem bromodomain (BD1, BD2) of human TAF1 bound to ZS1-585 · 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 7LB1 · PDBe 7LB1 · UniProt P21675
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