MolNFT v1 · #83812 · protein + DNA
Crystal structure of the ETS1-RUNX1-DNA ternary complex
3WU1 · Runt-related transcription factor 1: “Crystal structure of the ETS1-RUNX1-DNA ternary complex”. X-ray diffraction, 4 pockets (best druggability 0.65). MolNFT v1 #83812 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3WU1
- Type
- protein + DNA
- Length
- 260 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Runt-related transcription factor 1; Protein C-ets-1; DNA…
- UniProt
- Q03347, P14921
- Pockets
- 4 · best druggability 0.65
Structure
x-ray diffraction · 4 distinct chains · 24% helix, 27% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Runt-related transcription factor 1 | protein | 123 | 2% helix, 41% strand | Q03347 |
| B | Protein C-ets-1 | protein | 105 | 50% helix, 11% strand | P14921 |
| C | DNA (5'-D(*GP*GP*AP*AP*GP*CP*CP*AP*CP*AP*TP*CP*CP*TP*CP*T)- 3') | dna | 16 | — | — |
| D | DNA (5'-D(*CP*AP*GP*AP*GP*GP*AP*TP*GP*TP*GP*GP*CP*TP*TP*C)- 3') | dna | 16 | — | — |
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 | 409 | 0.65 | 0.79 | 26 | empty |
| 2 | 183 | 0.50 | 0.78 | 19 | empty |
| 3 | 104 | 0.46 | 0.80 | 16 | empty |
| 4 | 57 | 0.37 | 0.80 | 18 | empty |
Interfaces
5 interfaces between chains.
- C–D · 672 Ų buried · 55 hydrogen bonds · nucleic-nucleic
- B–C · 495 Ų buried · 10 hydrogen bonds · protein-nucleic
- B–D · 488 Ų buried · 12 hydrogen bonds · protein-nucleic
- A–D · 419 Ų buried · 14 hydrogen bonds · protein-nucleic
- A–C · 409 Ų buried · 13 hydrogen bonds · protein-nucleic
Compared structures
- 3WU1 · Crystal structure of the ETS1-RUNX1-DNA ternary complex · the same entry in another collection · chain A against A, TM-score 1.00
- Q03347 · AlphaFold monomer V2.0 prediction for runt-related transcription factor 1 (Q03347) · a predicted model of the same protein · chain A against A, TM-score 0.99
- P14921 · AlphaFold monomer V2.0 prediction for protein C-ets-1 (P14921) · a predicted model of the same protein · chain B 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 Q03347
- Every structure of UniProt P14921
- Elsewhere: RCSB PDB 3WU1 · PDBe 3WU1 · UniProt Q03347 · UniProt P14921
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