MolNFT v1 · #155412 · protein + DNA
Structural basis of NR4A2 homodimers binding to selective nur- responsive elements
6L6Q · Nuclear receptor related 1: “Structural basis of NR4A2 homodimers binding to selective nur- responsive elements”. X-ray diffraction, 1 ligand (ZN), 4 pockets (best druggability 0.36). MolNFT v1 #155412 on GenesisL1: 3D structure…
- PDB
- 6L6Q
- Type
- protein + DNA
- Length
- 210 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Nuclear receptor related 1; DNA (5'- D(P*AP*GP*TP*GP*AP*CP*CP*TP*TP*TP*AP*AP*AP*GP*GP*TP*C…
- UniProt
- F1D8N6
- Ligands
- ZN
- Pockets
- 4 · best druggability 0.36
Structure
x-ray diffraction · 2 distinct chains · 34% helix, 5% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Nuclear receptor related 1 | protein | 85 | 34% helix, 5% strand | F1D8N6 |
| C, F | DNA (5'- D(P*AP*GP*TP*GP*AP*CP*CP*TP*TP*TP*AP*AP*AP*GP*GP*TP*CP*AP*CP*T)-3') | dna | 20 | — | — |
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, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 53 | 0.36 | 0.80 | 16 | empty |
| 2 | 88 | 0.33 | 0.74 | 18 | empty |
| 3 | 87 | 0.33 | 0.74 | 17 | empty |
| 4 | 50 | 0.32 | 0.78 | 17 | empty |
Interfaces
6 interfaces between chains.
- C–F · 873 Ų buried · 87 hydrogen bonds · nucleic-nucleic
- B–C · 702 Ų buried · 21 hydrogen bonds · protein-nucleic
- A–F · 669 Ų buried · 16 hydrogen bonds · protein-nucleic
- B–F · 593 Ų buried · 9 hydrogen bonds · protein-nucleic
- A–C · 554 Ų buried · 9 hydrogen bonds · protein-nucleic
Compared structures
- 6L6Q · Structural basis of NR4A2 homodimers binding to selective Nur-responsive elements · 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
- Every structure of UniProt F1D8N6
- Elsewhere: RCSB PDB 6L6Q · PDBe 6L6Q · UniProt F1D8N6
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