MolNFT v1 · #144358 · protein
Structure of rorgt in complex with a novel isoquinoline inverse agonist.
6BR2: “Structure of rorgt in complex with a novel isoquinoline inverse agonist.”. X-ray diffraction, 1 ligand (E3S). MolNFT v1 #144358 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6BR2
- Type
- protein
- Length
- 427 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- UniProt
- P51449
- Ligands
- E3S
Structure
x-ray diffraction · 2 distinct chains.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | — | protein | 215 | — | P51449 |
| B | — | protein | 212 | — | P51449 |
Ligands and binding sites
- E3S · (1R)-N-(4-tert-butyl-3-fluorophenyl)-6-methoxy-2-[(3-oxo-2,3-dihydro-1,2-oxazol-5-yl)acetyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide · ligand · 2 copies · chains A, B
- MPD · (4S)-2-methyl-2,4-pentanediol · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- 6BR2 · Structure of RORgt in complex with a novel isoquinoline inverse agonist. · 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 P51449
- Elsewhere: RCSB PDB 6BR2 · PDBe 6BR2 · UniProt P51449
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