MolNFT v1 · #149426 · protein
Rorgt (264-518;C455S) in complex with inverse agonist "cpd-2" and RIP140 peptide at 1.90A
6G05 · Nuclear receptor ror-gamma: “Rorgt (264-518;C455S) in complex with inverse agonist "cpd-2" and RIP140 peptide at 1.90A”. X-ray diffraction, 1 ligand (EF5), 7 pockets (best druggability 0.83). MolNFT v1 #149426 on GenesisL1: 3D…
- PDB
- 6G05
- Type
- protein
- Length
- 506 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
- EF5
- Pockets
- 7 · best druggability 0.83
Structure
x-ray diffraction · 2 distinct chains · 72% helix, 4% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Nuclear receptor ror-gamma | protein | 245 | 72% helix, 4% strand | P51449 |
| P, Q | Nuclear receptor-interacting protein 1 | protein | 8 | 75% helix, 0% strand | P48552 |
Ligands and binding sites
- EF5 · 2-(4-ethylsulfonylphenyl)-~{N}-[4-phenyl-5-(phenylcarbonyl)-1,3-thiazol-2-yl]ethanamide · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 356 | 0.83 | 0.92 | 38 | EF5 |
| 2 | 360 | 0.83 | 0.91 | 39 | EF5 |
| 3 | 822 | 0.72 | 0.77 | 77 | empty |
| 4 | 124 | 0.50 | 0.80 | 21 | empty |
| 5 | 83 | 0.41 | 0.79 | 16 | empty |
Interfaces
3 interfaces between chains.
- A–B · 511 Ų buried · 5 hydrogen bonds · protein-protein
- B–Q · 461 Ų buried · 5 hydrogen bonds · protein-protein
- A–P · 444 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 6G05 · Rorgt (264-518;C455S) in complex with inverse agonist "cpd-2" and RIP140 peptide at 1.90A · 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 0.91
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 6G05 · PDBe 6G05 · UniProt P51449 · UniProt P48552
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