MolNFT v1 · #155947 · protein
Crystal structure of rorgammat with ligand C46D bound
6LOC · Nuclear receptor ror-gamma: “Crystal structure of rorgammat with ligand C46D bound”. X-ray diffraction, 1 ligand (EKL), 4 pockets (best druggability 0.83). MolNFT v1 #155947 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 6LOC
- Type
- protein
- Length
- 259 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Nuclear receptor ror-gamma
- UniProt
- P51449
- Ligands
- EKL
- Pockets
- 4 · best druggability 0.83
Structure
x-ray diffraction · 1 distinct chain · 71% helix, 4% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Nuclear receptor ror-gamma | protein | 259 | 71% helix, 4% strand | P51449 |
Ligands and binding sites
- EKL · 6-cyclobutyloxy-9-ethyl-~{N}-[(4-ethylsulfonylphenyl) methyl]carbazole-3-carboxamide · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 368 | 0.83 | 0.91 | 40 | EKL |
| 2 | 62 | 0.40 | 0.80 | 14 | empty |
| 3 | 93 | 0.35 | 0.74 | 18 | empty |
| 4 | 69 | 0.33 | 0.75 | 11 | empty |
Compared structures
- 6LOC · Crystal structure of RORgammat with ligand C46D bound · 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 6LOC · PDBe 6LOC · UniProt P51449
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