MolNFT v1 · #83805 · protein + DNA
Crystal structure of the complex comprised of ETS1 (V170A), RUNX1, cbfbeta, and the tcralpha gene enhancer DNA
3WTU · Runt-related transcription factor 1: “Crystal structure of the complex comprised of ETS1 (V170A), RUNX1, cbfbeta, and the tcralpha gene enhancer DNA”. X-ray diffraction, 13 pockets (best druggability 0.62). MolNFT v1 #83805 on…
- PDB
- 3WTU
- Type
- protein + DNA
- Length
- 774 residues
- Chains
- 10
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Runt-related transcription factor 1; Core-binding factor subunit beta; Protein C-ets-1…
- UniProt
- Q03347, Q08024, P14921
- Pockets
- 13 · best druggability 0.62
Structure
x-ray diffraction · 7 distinct chains · 26% helix, 28% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, F | Runt-related transcription factor 1 | protein | 118 | 0% helix, 43% strand | Q03347 |
| B | Core-binding factor subunit beta | protein | 130 | 27% helix, 36% strand | Q08024 |
| C | Protein C-ets-1 | protein | 118 | 44% helix, 12% strand | P14921 |
| G | Core-binding factor subunit beta | protein | 129 | 25% helix, 35% strand | Q08024 |
| H | Protein C-ets-1 | protein | 101 | 34% helix, 7% strand | P14921 |
| D, I | DNA (5'-D(*GP*AP*AP*GP*CP*CP*AP*CP*AP*TP*CP*CP*TP*CP*T)- 3') | dna | 15 | — | — |
| E, J | DNA (5'-D(*AP*GP*AP*GP*GP*AP*TP*GP*TP*GP*GP*CP*TP*TP*C)- 3') | dna | 15 | — | — |
Pockets
13 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 363 | 0.62 | 0.78 | 28 | empty |
| 2 | 392 | 0.62 | 0.77 | 28 | empty |
| 3 | 237 | 0.57 | 0.79 | 23 | empty |
| 4 | 327 | 0.55 | 0.75 | 33 | empty |
| 5 | 243 | 0.54 | 0.77 | 27 | empty |
Interfaces
19 interfaces between chains.
- A–B · 1161 Ų buried · 18 hydrogen bonds · protein-protein
- F–G · 1109 Ų buried · 18 hydrogen bonds · protein-protein
- D–E · 659 Ų buried · 56 hydrogen bonds · nucleic-nucleic
- I–J · 659 Ų buried · 60 hydrogen bonds · nucleic-nucleic
- H–I · 525 Ų buried · 9 hydrogen bonds · protein-nucleic
Compared structures
- 3WTU · Crystal structure of the complex comprised of ETS1 (V170A), RUNX1, CBFBETA, and the… · the same entry in another collection · chain J against J, TM-score 1.00
- Q08024 · AlphaFold monomer V2.0 prediction for core-binding factor subunit beta (Q08024) · a predicted model of the same protein · chain G against A, TM-score 0.99
- 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 0.98
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 Q08024
- Every structure of UniProt P14921
- Elsewhere: RCSB PDB 3WTU · PDBe 3WTU · UniProt Q03347 · UniProt Q08024 · UniProt P14921
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