MolNFT v1 · #154216 · protein
Crystal structure of human estrogen-related receptor gamma ligand binding domain complex with bpa-monof
6K3N: “Crystal structure of human estrogen-related receptor gamma ligand binding domain complex with bpa-monof”. X-ray diffraction, 1 ligand (CW6), 3 pockets (best druggability 0.79). MolNFT v1 #154216 on GenesisL1: 3D structure, binding…
- PDB
- 6K3N
- Type
- protein
- Length
- 227 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Estrogen-related receptor gamma
- UniProt
- P62508
- Ligands
- CW6
- Pockets
- 3 · best druggability 0.79
Structure
x-ray diffraction · 1 distinct chain · 66% helix, 4% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Estrogen-related receptor gamma | protein | 227 | 66% helix, 4% strand | P62508 |
Ligands and binding sites
- CW6 · 2-fluoranyl-4-[2-(4-hydroxyphenyl)propan-2-yl]phenol · ligand · 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, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 104 | 0.79 | 0.98 | 19 | CW6 |
| 2 | 130 | 0.67 | 0.89 | 23 | empty |
| 3 | 140 | 0.51 | 0.80 | 21 | empty |
Compared structures
- 6K3N · Crystal structure of human estrogen-related receptor gamma ligand binding domain complex… · the same entry in another collection · chain A against A, TM-score 1.00
- P62508 · AlphaFold monomer V2.0 prediction for estrogen-related receptor gamma (P62508) · a predicted model of the same protein · chain A against A, TM-score 0.98
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 P62508
- Elsewhere: RCSB PDB 6K3N · PDBe 6K3N · UniProt P62508
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