MolNFT v1 · #61919 · protein + DNA
Intact ppar gamma - rxr alpha nuclear receptor complex on DNA bound with GW9662, 9-cis retinoic acid and NCOA2 peptide
3E00 · Retinoic acid receptor rxr-alpha: “Intact ppar gamma - rxr alpha nuclear receptor complex on DNA bound with GW9662, 9-cis retinoic acid and…”. X-ray diffraction, 3 ligands (9CR, GW9, ZN), 17 pockets (best druggability 0.85). MolNFT…
- PDB
- 3E00
- Type
- protein + DNA
- Length
- 711 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Retinoic acid receptor rxr-alpha; Peroxisome proliferator-activated receptor gamma; DNA…
- UniProt
- P19793, P37231, Q15596
- Ligands
- 9CR, GW9, ZN
- Pockets
- 17 · best druggability 0.85
Structure
x-ray diffraction · 6 distinct chains · 54% helix, 4% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Retinoic acid receptor rxr-alpha | protein | 289 | 53% helix, 4% strand | P19793 |
| D | Peroxisome proliferator-activated receptor gamma | protein | 363 | 55% helix, 5% strand | P37231 |
| C | DNA (5'- D(*DCP*DAP*DAP*DAP*DCP*DTP*DAP*DGP*DGP*DTP*DCP*DAP*DAP*DAP*DGP*DGP*DT P*DCP*DAP*DG)-3') | dna | 20 | — | — |
| F | DNA (5'- D(*DCP*DTP*DGP*DAP*DCP*DCP*DTP*DTP*DTP*DGP*DAP*DCP*DCP*DTP*DAP*DGP*DT P*DTP*DTP*DG)-3') | dna | 20 | — | — |
| G | NCOA2 peptide | protein | 9 | 78% helix, 0% strand | Q15596 |
| E | NCOA2 peptide | protein | 10 | 50% helix, 0% strand | Q15596 |
Ligands and binding sites
- 9CR · (9cis)-retinoic acid · ligand · chains A
- GW9 · 2-chloro-5-nitro-N-phenylbenzamide · ligand · chains D
- ZN · Zinc ion · metal · 4 copies · chains A, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
17 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 872 | 0.85 | 0.86 | 71 | GW9 |
| 2 | 225 | 0.83 | 0.95 | 27 | 9CR |
| 3 | 816 | 0.69 | 0.76 | 54 | empty |
| 4 | 470 | 0.66 | 0.78 | 50 | empty |
| 5 | 67 | 0.65 | 0.93 | 18 | empty |
Interfaces
8 interfaces between chains.
- A–D · 2188 Ų buried · 21 hydrogen bonds · protein-protein
- C–F · 888 Ų buried · 65 hydrogen bonds · nucleic-nucleic
- D–F · 649 Ų buried · 14 hydrogen bonds · protein-nucleic
- D–C · 616 Ų buried · 18 hydrogen bonds · protein-nucleic
- D–E · 562 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 3E00 · Intact PPAR gamma - RXR alpha Nuclear Receptor Complex on DNA bound with GW9662, 9-cis… · 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 P19793
- Every structure of UniProt P37231
- Every structure of UniProt Q15596
- Elsewhere: RCSB PDB 3E00 · PDBe 3E00 · UniProt P19793 · UniProt P37231 · UniProt Q15596
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.