MolNFT v1 · #149415 · protein
Rorgt (264-518;C455S) in complex with the fragment ("cpd-1") and RIP140 peptide at 1.80A
6FZU · Nuclear receptor ror-gamma: “Rorgt (264-518;C455S) in complex with the fragment ("cpd-1") and RIP140 peptide at 1.80A”. X-ray diffraction, 1 ligand (EE8), 11 pockets (best druggability 0.84). MolNFT v1 #149415 on GenesisL1: 3D…
- PDB
- 6FZU
- Type
- protein
- Length
- 508 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Nuclear receptor ror-gamma; Nuclear receptor-interacting protein 1
- UniProt
- P51449, P48552
- Ligands
- EE8
- Pockets
- 11 · best druggability 0.84
Structure
x-ray diffraction · 2 distinct chains · 70% helix, 4% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Nuclear receptor ror-gamma | protein | 245 | 71% helix, 4% strand | P51449 |
| P, Q | Nuclear receptor-interacting protein 1 | protein | 9 | 56% helix, 0% strand | P48552 |
Ligands and binding sites
- EE8 · ~{N}-(3-chloranyl-4-ethoxy-phenyl)ethanamide · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
11 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 419 | 0.84 | 0.91 | 37 | EE8 |
| 2 | 403 | 0.83 | 0.91 | 37 | EE8 |
| 3 | 184 | 0.55 | 0.80 | 35 | empty |
| 4 | 269 | 0.53 | 0.76 | 29 | empty |
| 5 | 111 | 0.50 | 0.81 | 18 | empty |
Interfaces
3 interfaces between chains.
- A–B · 529 Ų buried · 8 hydrogen bonds · protein-protein
- A–P · 519 Ų buried · 6 hydrogen bonds · protein-protein
- B–Q · 494 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 6FZU · Rorgt (264-518;C455S) in complex with the fragment ("cpd-1") and RIP140 peptide at 1.80A · the same entry in another collection · chain A against A, TM-score 1.00
- P48552 · AlphaFold monomer V2.0 prediction for nuclear receptor-interacting protein 1 (P48552) · a predicted model of the same protein · chain P against A, TM-score 0.83
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 P51449
- Every structure of UniProt P48552
- Elsewhere: RCSB PDB 6FZU · PDBe 6FZU · UniProt P51449 · UniProt P48552
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