MolNFT v1 · #145029 · protein
Estrogen receptor alpha ligand binding domain Y537S mutant in complex with estradiol and grip peptide
6CBZ: “Estrogen receptor alpha ligand binding domain Y537S mutant in complex with estradiol and grip peptide”. X-ray diffraction, 1 ligand (EST), 7 pockets (best druggability 0.84). MolNFT v1 #145029 on GenesisL1: 3D structure, binding…
- PDB
- 6CBZ
- Type
- protein
- Length
- 469 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Estrogen receptor; Grip peptide
- UniProt
- P03372
- Ligands
- EST
- Pockets
- 7 · best druggability 0.84
Structure
x-ray diffraction · 3 distinct chains · 71% helix, 3% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Estrogen receptor | protein | 229 | 69% helix, 3% strand | P03372 |
| B | Estrogen receptor | protein | 224 | 73% helix, 4% strand | P03372 |
| C, D | Grip peptide | protein | 8 | 63% helix, 0% strand | — |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
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 | 188 | 0.84 | 0.98 | 23 | EST |
| 2 | 184 | 0.84 | 0.98 | 22 | EST |
| 3 | 100 | 0.63 | 0.88 | 21 | empty |
| 4 | 96 | 0.62 | 0.88 | 20 | empty |
| 5 | 309 | 0.61 | 0.78 | 36 | empty |
Interfaces
3 interfaces between chains.
- A–B · 1729 Ų buried · 34 hydrogen bonds · protein-protein
- A–C · 487 Ų buried · 2 hydrogen bonds · protein-protein
- B–D · 459 Ų buried · 1 hydrogen bond · protein-protein
Modifications
Observed in the structure: 3 modified (methylation).
Compared structures
- 6CBZ · Estrogen Receptor Alpha Ligand Binding Domain Y537S Mutant in Complex with Estradiol and… · 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 B 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 6CBZ · PDBe 6CBZ · UniProt P03372
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.