MolNFT v1 · #112674 · protein
Rxr lbd in complex with 9-cis-13,14-dihydroretinoic acid
4ZSH · Retinoic acid receptor rxr-alpha: “Rxr lbd in complex with 9-cis-13,14-dihydroretinoic acid”. X-ray diffraction, 1 ligand (4XW), 2 pockets (best druggability 0.84). MolNFT v1 #112674 on GenesisL1: 3D structure, binding sites and…
- PDB
- 4ZSH
- Type
- protein
- Length
- 224 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Retinoic acid receptor rxr-alpha; NCOA2 peptide
- UniProt
- P19793
- Ligands
- 4XW
- Pockets
- 2 · best druggability 0.84
Structure
x-ray diffraction · 2 distinct chains · 69% helix, 3% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Retinoic acid receptor rxr-alpha | protein | 213 | 69% helix, 3% strand | P19793 |
| B | NCOA2 peptide | protein | 11 | 64% helix, 0% strand | — |
Ligands and binding sites
- 4XW · (5S,6S,9R,13R)-2,3-didehydro-5,6,7,8,9,10,11,12,13,14-decahydroretinoic acid · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 311 | 0.84 | 0.94 | 43 | 4XW |
| 2 | 162 | 0.43 | 0.74 | 26 | empty |
Interfaces
1 interface between chains.
- A–B · 578 Ų buried · 7 hydrogen bonds · protein-protein
Compared structures
- 4ZSH · RXR LBD in complex with 9-cis-13,14-dihydroretinoic acid · 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
- Elsewhere: RCSB PDB 4ZSH · PDBe 4ZSH · UniProt P19793
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