MolNFT v1 · #162391 · protein
Ligand complex of rorg lbd
6R7K · Nuclear receptor ror-gamma: “Ligand complex of rorg lbd”. X-ray diffraction, 2 ligands (JUH, NA), 3 pockets (best druggability 0.82). MolNFT v1 #162391 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6R7K
- Type
- protein
- Length
- 264 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Nuclear receptor ror-gamma; SRC2 peptide
- UniProt
- P51449
- Ligands
- JUH, NA
- Pockets
- 3 · best druggability 0.82
Structure
x-ray diffraction · 2 distinct chains · 72% helix, 4% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Nuclear receptor ror-gamma | protein | 252 | 73% helix, 4% strand | P51449 |
| C | SRC2 peptide | protein | 12 | 50% helix, 0% strand | — |
Ligands and binding sites
- JUH · (2~{R})-2-(4-ethylsulfonylphenyl)-~{N}-[4-[1,1,1,3,3,3-hexakis(fluoranyl)-2-oxidanyl-propan-2-yl]phenyl]-2-(2-phenylethanoylamino)ethanamide · ligand · chains A
- NA · Sodium ion · metal · chains A
- DMS · Dimethyl sulfoxide · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 332 | 0.82 | 0.91 | 35 | JUH, DMS |
| 2 | 183 | 0.51 | 0.77 | 29 | empty |
| 3 | 67 | 0.40 | 0.80 | 15 | NA |
Interfaces
1 interface between chains.
- A–C · 592 Ų buried · 11 hydrogen bonds · protein-protein
Compared structures
- 6R7K · Ligand complex of RORg LBD · 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 6R7K · PDBe 6R7K · UniProt P51449
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