MolNFT v1 · #149427 · protein
Rorgt (264-518;C455S) in complex with inverse agonist "cpd-9" and RIP140 peptide at 1.66A
6G07 · Nuclear receptor ror-gamma: “Rorgt (264-518;C455S) in complex with inverse agonist "cpd-9" and RIP140 peptide at 1.66A”. X-ray diffraction, 1 ligand (EEZ), 19 pockets (best druggability 0.90). MolNFT v1 #149427 on GenesisL1: 3D…
- PDB
- 6G07
- Type
- protein
- Length
- 1,021 residues
- Chains
- 8
- 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
- EEZ
- Pockets
- 19 · best druggability 0.90
Structure
x-ray diffraction · 5 distinct chains · 72% helix, 4% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, D | Nuclear receptor ror-gamma | protein | 245 | 74% helix, 4% strand | P51449 |
| P | Nuclear receptor-interacting protein 1 | protein | 9 | 67% helix, 0% strand | P48552 |
| Q | Nuclear receptor-interacting protein 1 | protein | 11 | 55% helix, 0% strand | P48552 |
| C | Nuclear receptor ror-gamma | protein | 246 | 72% helix, 4% strand | P51449 |
| R, S | Nuclear receptor-interacting protein 1 | protein | 10 | 60% helix, 0% strand | P48552 |
Ligands and binding sites
- EEZ · ~{N}-[5-chloranyl-6-[(1~{S})-1-phenylethoxy]pyridin-3-yl]-2-(4-ethylsulfonylphenyl)ethanamide · ligand · 4 copies · chains A, B, C, 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, 9 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1131 | 0.90 | 0.91 | 98 | EEZ |
| 2 | 373 | 0.83 | 0.92 | 35 | EEZ |
| 3 | 356 | 0.82 | 0.91 | 41 | EEZ |
| 4 | 710 | 0.70 | 0.77 | 53 | empty |
| 5 | 557 | 0.64 | 0.76 | 44 | empty |
Interfaces
10 interfaces between chains.
- A–C · 929 Ų buried · 17 hydrogen bonds · protein-protein
- B–C · 663 Ų buried · 8 hydrogen bonds · protein-protein
- D–S · 517 Ų buried · 5 hydrogen bonds · protein-protein
- B–Q · 504 Ų buried · 7 hydrogen bonds · protein-protein
- C–R · 504 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 6G07 · Rorgt (264-518;C455S) in complex with inverse agonist "cpd-9" and RIP140 peptide at 1.66A · the same entry in another collection · chain S against S, 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 0.84
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 6G07 · PDBe 6G07 · UniProt P51449 · UniProt P48552
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.