MolNFT v1 · #38827 · protein + DNA
Structural basis of heterodimeric ecdysteroid receptor interaction with natural response element HSP27 gene promoter
2HAN · 5'-D(*CP*AP*AP*GP*GP*GP*TP*TP*CP*AP*AP*TP*GP*CP*AP*CP*TP*TP…: “Structural basis of heterodimeric ecdysteroid receptor interaction with natural response element HSP27 gene…”. X-ray diffraction, 1 ligand (ZN), 4 pockets (best…
- PDB
- 2HAN
- Type
- protein + DNA
- Length
- 205 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 5'-D(*CP*AP*AP*GP*GP*GP*TP*TP*CP*AP*AP*TP*GP*CP*AP*CP*TP*TP *GP*T)-3'…
- UniProt
- P20153, P34021
- Ligands
- ZN
- Pockets
- 4 · best druggability 0.70
Structure
x-ray diffraction · 4 distinct chains · 38% helix, 10% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| C | 5'-D(*CP*AP*AP*GP*GP*GP*TP*TP*CP*AP*AP*TP*GP*CP*AP*CP*TP*TP *GP*T)-3' | dna | 20 | — | — |
| D | 5'-D(*GP*AP*CP*AP*AP*GP*TP*GP*CP*AP*TP*TP*GP*AP*AP*CP*CP*CP *TP*T)-3' | dna | 20 | — | — |
| A | Protein ultraspiracle | protein | 78 | 38% helix, 10% strand | P20153 |
| B | Ecdysone receptor | protein | 87 | 38% helix, 9% strand | P34021 |
Ligands and binding sites
- ZN · Zinc ion · metal · 4 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 675 | 0.70 | 0.78 | 64 | empty |
| 2 | 115 | 0.43 | 0.77 | 16 | empty |
| 3 | 142 | 0.38 | 0.74 | 24 | empty |
| 4 | 106 | 0.38 | 0.75 | 15 | empty |
Interfaces
6 interfaces between chains.
- C–D · 853 Ų buried · 78 hydrogen bonds · nucleic-nucleic
- C–B · 532 Ų buried · 11 hydrogen bonds · protein-nucleic
- D–B · 506 Ų buried · 12 hydrogen bonds · protein-nucleic
- C–A · 489 Ų buried · 11 hydrogen bonds · protein-nucleic
- D–A · 417 Ų buried · 12 hydrogen bonds · protein-nucleic
Compared structures
- 2HAN · Structural basis of heterodimeric ecdysteroid receptor interaction with natural response… · the same entry in another collection · chain C against C, TM-score 1.00
- P20153 · AlphaFold monomer V2.0 prediction for protein ultraspiracle (P20153) · a predicted model of the same protein · chain A against A, TM-score 0.98
- P34021 · AlphaFold monomer V2.0 prediction for ecdysone receptor (P34021) · a predicted model of the same protein · chain B against A, TM-score 0.90
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 P20153
- Every structure of UniProt P34021
- Elsewhere: RCSB PDB 2HAN · PDBe 2HAN · UniProt P20153 · UniProt P34021
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