MolNFT v1 · #36544 · protein + DNA
Crystal structure of activated notch, csl and maml on hes-1 promoter DNA sequence
2F8X · 5'- D(*GP*TP*TP*AP*CP*TP*GP*TP*GP*GP*GP*AP*AP*AP*GP*AP*AP*A)…: “Crystal structure of activated notch, csl and maml on hes-1 promoter DNA sequence”. X-ray diffraction, 14 pockets (best druggability 0.81). MolNFT v1 #36544 on…
- PDB
- 2F8X
- Type
- protein + DNA
- Length
- 733 residues
- Chains
- 5
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 5'- D(*GP*TP*TP*AP*CP*TP*GP*TP*GP*GP*GP*AP*AP*AP*GP*AP*AP*A)- 3'; 5'…
- UniProt
- Q06330, P46531, Q92585
- Pockets
- 14 · best druggability 0.81
Structure
x-ray diffraction · 5 distinct chains · 27% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| X | 5'- D(*GP*TP*TP*AP*CP*TP*GP*TP*GP*GP*GP*AP*AP*AP*GP*AP*AP*A)- 3' | dna | 18 | — | — |
| Y | 5'- D(*TP*TP*TP*CP*TP*TP*TP*CP*CP*CP*AP*CP*AP*GP*TP*AP*AP*C)- 3' | dna | 18 | — | — |
| C | Recombining binding protein suppressor of hairless, isoform 4 | protein | 424 | 7% helix, 36% strand | Q06330 |
| K | Neurogenic locus notch homolog protein 1 | protein | 218 | 50% helix, 0% strand | P46531 |
| M | Mastermind-like protein 1 | protein | 55 | 96% helix, 0% strand | Q92585 |
Pockets
14 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1047 | 0.81 | 0.82 | 101 | empty |
| 2 | 637 | 0.78 | 0.84 | 59 | empty |
| 3 | 366 | 0.66 | 0.80 | 40 | empty |
| 4 | 240 | 0.51 | 0.76 | 31 | empty |
| 5 | 156 | 0.49 | 0.78 | 28 | empty |
Interfaces
6 interfaces between chains.
- C–K · 1216 Ų buried · 13 hydrogen bonds · protein-protein
- C–M · 1183 Ų buried · 14 hydrogen bonds · protein-protein
- X–Y · 758 Ų buried · 48 hydrogen bonds · nucleic-nucleic
- K–M · 620 Ų buried · 9 hydrogen bonds · protein-protein
- Y–C · 609 Ų buried · 11 hydrogen bonds · protein-nucleic
Compared structures
- 2F8X · Crystal structure of activated Notch, CSL and MAML on HES-1 promoter DNA sequence · the same entry in another collection · chain M against M, TM-score 1.00
- P46531 · AlphaFold monomer V2.0 prediction for neurogenic locus notch homolog protein 1 (P46531) · a predicted model of the same protein · chain K against A, TM-score 0.98
- Q06330 · AlphaFold monomer V2.0 prediction for recombining binding protein suppressor of hairless… · a predicted model of the same protein · chain C against A, TM-score 0.96
- Q92585 · AlphaFold monomer V2.0 prediction for mastermind-like protein 1 (Q92585) · a predicted model of the same protein · chain M against A, TM-score 0.84
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 Q06330
- Every structure of UniProt P46531
- Every structure of UniProt Q92585
- Elsewhere: RCSB PDB 2F8X · PDBe 2F8X · UniProt Q06330 · UniProt P46531 · UniProt Q92585
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