MolNFT v1 · #27836 · protein
Crystal structure of CAR/RXR heterodimer bound with SRC1 peptide, fatty acid and citco
1XVP · Retinoic acid receptor rxr-alpha: “Crystal structure of CAR/RXR heterodimer bound with SRC1 peptide, fatty acid and citco”. X-ray diffraction, 2 ligands (F15, CID), 19 pockets (best druggability 0.86). MolNFT v1 #27836 on GenesisL1…
- PDB
- 1XVP
- Type
- protein
- Length
- 1,006 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Retinoic acid receptor rxr-alpha; Orphan nuclear receptor NR1I3; Nuclear receptor…
- UniProt
- P19793, Q14994
- Ligands
- F15, CID
- Pockets
- 19 · best druggability 0.86
Structure
x-ray diffraction · 6 distinct chains · 63% helix, 3% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Retinoic acid receptor rxr-alpha | protein | 232 | 61% helix, 4% strand | P19793 |
| B, D | Orphan nuclear receptor NR1I3 | protein | 246 | 67% helix, 3% strand | Q14994 |
| C | Retinoic acid receptor rxr-alpha | protein | 236 | 61% helix, 4% strand | P19793 |
| E | Nuclear receptor coactivator 1 isoform 1 | protein | 10 | 60% helix, 0% strand | — |
| F | Nuclear receptor coactivator 1 isoform 1 | protein | 12 | 58% helix, 0% strand | — |
| G, H | Nuclear receptor coactivator 1 isoform 1 | protein | 12 | 67% helix, 0% strand | — |
Ligands and binding sites
- F15 · Pentadecanoic acid · ligand · 2 copies · chains A, C
- CID · 6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde O-(3,4-dichlorobenzyl)oxime · ligand · chains D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
19 pockets found on a 1 Å grid, 18 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 948 | 0.86 | 0.88 | 83 | empty |
| 2 | 264 | 0.86 | 0.97 | 30 | CID |
| 3 | 235 | 0.86 | 0.98 | 31 | empty |
| 4 | 246 | 0.85 | 0.96 | 31 | F15 |
| 5 | 209 | 0.84 | 0.97 | 25 | F15 |
Interfaces
11 interfaces between chains.
- C–D · 1314 Ų buried · 13 hydrogen bonds · protein-protein
- A–B · 1257 Ų buried · 16 hydrogen bonds · protein-protein
- A–C · 777 Ų buried · 6 hydrogen bonds · protein-protein
- C–G · 587 Ų buried · 4 hydrogen bonds · protein-protein
- A–E · 564 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 1XVP · crystal structure of CAR/RXR heterodimer bound with SRC1 peptide, fatty acid and CITCO · the same entry in another collection · chain H against H, TM-score 1.00
- Q14994 · AlphaFold monomer V2.0 prediction for nuclear receptor subfamily 1 group I member 3… · a predicted model of the same protein · chain B against A, TM-score 0.98
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 Q14994
- Elsewhere: RCSB PDB 1XVP · PDBe 1XVP · UniProt P19793 · UniProt Q14994
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