MolNFT v1 · #59295 · protein
Crystal structure of a ternary complex of the transcriptional repressor GAL80P (GAL80S0 [G301R]) and the acidic activation domain of GAL4P (aa 854-874) from saccharomyces cerevisiae with NAD
3BTS · GALACTOSE/LACTOSE metabolism regulatory protein GAL80: “Crystal structure of a ternary complex of the transcriptional repressor GAL80P (GAL80S0 [G301R]) and the…”. X-ray diffraction, 1 ligand (NAD), 9 pockets (best druggability…
- PDB
- 3BTS
- Type
- protein
- Length
- 788 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- GALACTOSE/LACTOSE metabolism regulatory protein GAL80; Regulatory protein GAL4
- UniProt
- P04387, P04386
- Ligands
- NAD
- Pockets
- 9 · best druggability 0.76
Structure
x-ray diffraction · 4 distinct chains · 34% helix, 27% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | GALACTOSE/LACTOSE metabolism regulatory protein GAL80 | protein | 384 | 35% helix, 27% strand | P04387 |
| B | GALACTOSE/LACTOSE metabolism regulatory protein GAL80 | protein | 390 | 34% helix, 27% strand | P04387 |
| E | Regulatory protein GAL4 | protein | 9 | 0% helix, 0% strand | P04386 |
| F | Regulatory protein GAL4 | protein | 5 | 0% helix, 0% strand | P04386 |
Ligands and binding sites
- NAD · Nicotinamide-adenine-dinucleotide · ligand · 2 copies · chains A, E, B, F
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 660 | 0.76 | 0.82 | 63 | NAD |
| 2 | 667 | 0.76 | 0.81 | 71 | NAD |
| 3 | 604 | 0.68 | 0.78 | 60 | empty |
| 4 | 185 | 0.46 | 0.75 | 26 | empty |
| 5 | 83 | 0.43 | 0.79 | 15 | empty |
Interfaces
3 interfaces between chains.
- A–B · 1253 Ų buried · 21 hydrogen bonds · protein-protein
- A–E · 382 Ų buried · 1 hydrogen bond · protein-protein
- B–F · 232 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 3BTS · Crystal structure of a ternary complex of the transcriptional repressor Gal80p (Gal80S0… · the same entry in another collection · chain F against F, TM-score 1.00
- P04387 · AlphaFold monomer V2.0 prediction for GALACTOSE/LACTOSE metabolism regulatory protein… · a predicted model of the same protein · chain B against A, TM-score 0.98
- P04386 · AlphaFold monomer V2.0 prediction for regulatory protein GAL4 (P04386) · a predicted model of the same protein · chain F against A, TM-score 0.85
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 P04387
- Every structure of UniProt P04386
- Elsewhere: RCSB PDB 3BTS · PDBe 3BTS · UniProt P04387 · UniProt P04386
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