MolNFT v1 · #85365 · protein + DNA
The oestrogen receptor recognizes an imperfectly palindromic response element through an alternative side-chain conformation
4AA6: “The oestrogen receptor recognizes an imperfectly palindromic response element through an alternative…”. X-ray diffraction, 1 ligand (ZN), 2 pockets (best druggability 0.72). MolNFT v1 #85365 on GenesisL1: 3D structure, binding sites…
- PDB
- 4AA6
- Type
- protein + DNA
- Length
- 348 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Estrogen receptor; 5'-D(*CP*TP*AP*AP*GP*TP*CP*AP*CP*AP*GP*TP*GP*AP *CP*CP*TP*G)-3'…
- UniProt
- P03372
- Ligands
- ZN
- Pockets
- 2 · best druggability 0.72
Structure
x-ray diffraction · 6 distinct chains · 32% helix, 12% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Estrogen receptor | protein | 69 | 29% helix, 12% strand | P03372 |
| B | Estrogen receptor | protein | 70 | 31% helix, 11% strand | P03372 |
| C, G | 5'-D(*CP*TP*AP*AP*GP*TP*CP*AP*CP*AP*GP*TP*GP*AP *CP*CP*TP*G)-3' | dna | 18 | — | — |
| D, H | 5'-D(*TP*CP*AP*GP*GP*TP*CP*AP*CP*TP*GP*TP*GP*AP *CP*TP*TP*A)-3' | dna | 18 | — | — |
| E | Estrogen receptor | protein | 68 | 35% helix, 15% strand | P03372 |
| F | Estrogen receptor | protein | 69 | 30% helix, 12% strand | P03372 |
Ligands and binding sites
- ZN · Zinc ion · metal · 8 copies · chains A, B, E, F
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 885 | 0.72 | 0.77 | 56 | empty |
| 2 | 635 | 0.67 | 0.77 | 46 | empty |
Interfaces
15 interfaces between chains.
- C–D · 793 Ų buried · 107 hydrogen bonds · nucleic-nucleic
- G–H · 792 Ų buried · 100 hydrogen bonds · nucleic-nucleic
- A–B · 496 Ų buried · 7 hydrogen bonds · protein-protein
- F–G · 402 Ų buried · 11 hydrogen bonds · protein-nucleic
- A–D · 393 Ų buried · 12 hydrogen bonds · protein-nucleic
Compared structures
- 4AA6 · The oestrogen receptor recognizes an imperfectly palindromic response element through an… · the same entry in another collection · chain H against H, TM-score 1.00
- P03372 · AlphaFold monomer V2.0 prediction for estrogen receptor (P03372) · a predicted model of the same protein · chain F against A, TM-score 0.97
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 4AA6 · PDBe 4AA6 · UniProt P03372
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