MolNFT v1 · #104119 · protein
Apo estrogen receptor alpha ligand binding domain D538G mutant with a glucocorticoid receptor-interacting protein 1 nr box II peptide
4Q13: “Apo estrogen receptor alpha ligand binding domain D538G mutant with a glucocorticoid receptor-interacting…”. X-ray diffraction, 7 pockets (best druggability 0.85). MolNFT v1 #104119 on GenesisL1: 3D structure, binding sites and…
- PDB
- 4Q13
- Type
- protein
- Length
- 466 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Estrogen receptor; Glucocorticoid receptor-interacting protein 1 nr box II peptide
- UniProt
- P03372
- Pockets
- 7 · best druggability 0.85
Structure
x-ray diffraction · 4 distinct chains · 71% helix, 3% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Estrogen receptor | protein | 226 | 71% helix, 3% strand | P03372 |
| B | Estrogen receptor | protein | 226 | 71% helix, 4% strand | P03372 |
| C | Glucocorticoid receptor-interacting protein 1 nr box II peptide | protein | 6 | 67% helix, 0% strand | — |
| D | Glucocorticoid receptor-interacting protein 1 nr box II peptide | protein | 8 | 75% helix, 0% strand | — |
Pockets
7 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 221 | 0.85 | 0.97 | 22 | empty |
| 2 | 218 | 0.84 | 0.96 | 22 | empty |
| 3 | 91 | 0.65 | 0.90 | 17 | empty |
| 4 | 99 | 0.64 | 0.89 | 16 | empty |
| 5 | 278 | 0.56 | 0.77 | 29 | empty |
Interfaces
3 interfaces between chains.
- A–B · 1655 Ų buried · 20 hydrogen bonds · protein-protein
- B–D · 489 Ų buried · 4 hydrogen bonds · protein-protein
- A–C · 436 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 4Q13 · Apo Estrogen Receptor Alpha Ligand Binding Domain D538G Mutant with a glucocorticoid… · the same entry in another collection · chain A against A, TM-score 1.00
- P03372 · AlphaFold monomer V2.0 prediction for estrogen receptor (P03372) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 P03372
- Elsewhere: RCSB PDB 4Q13 · PDBe 4Q13 · UniProt P03372
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