MolNFT v1 · #100590 · protein
Crystal structure of the pacific oyster estrogen receptor ligand binding domain
4N1Y: “Crystal structure of the pacific oyster estrogen receptor ligand binding domain”. X-ray diffraction, 20 pockets (best druggability 0.79). MolNFT v1 #100590 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4N1Y
- Type
- protein
- Length
- 903 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Estrogen receptor
- UniProt
- K1QUU5
- Pockets
- 20 · best druggability 0.79
Structure
x-ray diffraction · 3 distinct chains · 68% helix, 4% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, D | Estrogen receptor | protein | 226 | 68% helix, 4% strand | K1QUU5 |
| B | Estrogen receptor | protein | 227 | 68% helix, 4% strand | K1QUU5 |
| C | Estrogen receptor | protein | 224 | 69% helix, 4% strand | K1QUU5 |
Pockets
20 pockets found on a 1 Å grid, 15 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 97 | 0.79 | 0.98 | 19 | empty |
| 2 | 73 | 0.76 | 0.99 | 17 | empty |
| 3 | 75 | 0.76 | 0.98 | 17 | empty |
| 4 | 75 | 0.75 | 0.98 | 19 | empty |
| 5 | 154 | 0.69 | 0.89 | 26 | empty |
Interfaces
5 interfaces between chains.
- C–D · 1725 Ų buried · 34 hydrogen bonds · protein-protein
- A–B · 1717 Ų buried · 38 hydrogen bonds · protein-protein
- B–C · 293 Ų buried · 7 hydrogen bonds · protein-protein
- A–D · 259 Ų buried · 2 hydrogen bonds · protein-protein
- A–C · 240 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 4N1Y · Crystal Structure of the Pacific Oyster Estrogen Receptor Ligand Binding Domain · 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 K1QUU5
- Elsewhere: RCSB PDB 4N1Y · PDBe 4N1Y · UniProt K1QUU5
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