MolNFT v1 · #102534 · protein + DNA
Ancestral steroid receptor 2 DNA binding domain in complex with a steroid response element
4OOR: “Ancestral steroid receptor 2 DNA binding domain in complex with a steroid response element”. X-ray diffraction, 1 ligand (ZN), 10 pockets (best druggability 0.81). MolNFT v1 #102534 on GenesisL1: 3D structure, binding sites and…
- PDB
- 4OOR
- Type
- protein + DNA
- Length
- 357 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Ancestral steroid receptor 2 DNA binding domain…
- Ligands
- ZN
- Pockets
- 10 · best druggability 0.81
Structure
x-ray diffraction · 6 distinct chains · 32% helix, 11% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Ancestral steroid receptor 2 DNA binding domain | protein | 73 | 32% helix, 11% strand | — |
| B | Ancestral steroid receptor 2 DNA binding domain | protein | 70 | 33% helix, 11% strand | — |
| E | Ancestral steroid receptor 2 DNA binding domain | protein | 72 | 32% helix, 11% strand | — |
| F | Ancestral steroid receptor 2 DNA binding domain | protein | 70 | 33% helix, 11% strand | — |
| I, K | 5'-D(*CP*CP*AP*GP*AP*AP*CP*AP*GP*AP*GP*TP*GP*TP*TP*CP*TP*G) -3' | dna | 18 | — | — |
| J, L | 5'-D(*TP*CP*AP*GP*AP*AP*CP*AP*CP*TP*CP*TP*GP*TP*TP*CP*TP*G) -3' | dna | 18 | — | — |
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
10 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 201 | 0.81 | 0.95 | 30 | empty |
| 2 | 529 | 0.70 | 0.80 | 44 | empty |
| 3 | 605 | 0.68 | 0.78 | 71 | empty |
| 4 | 86 | 0.41 | 0.79 | 20 | empty |
| 5 | 88 | 0.39 | 0.78 | 20 | empty |
Interfaces
16 interfaces between chains.
- K–L · 784 Ų buried · 73 hydrogen bonds · nucleic-nucleic
- I–J · 779 Ų buried · 72 hydrogen bonds · nucleic-nucleic
- B–F · 685 Ų buried · 8 hydrogen bonds · protein-protein
- A–B · 605 Ų buried · 14 hydrogen bonds · protein-protein
- E–F · 584 Ų buried · 11 hydrogen bonds · protein-protein
Compared structures
- 4OOR · Ancestral Steroid Receptor 2 DNA binding domain in complex with a steroid response element · 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
- Elsewhere: RCSB PDB 4OOR · PDBe 4OOR
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