MolNFT v1 · #36744 · protein
Mycobacterium tuberculosis embr in complex with low affinity phosphopeptide
2FF4 · Probable regulatory protein embr: “Mycobacterium tuberculosis embr in complex with low affinity phosphopeptide”. X-ray diffraction, 8 pockets (best druggability 0.86). MolNFT v1 #36744 on GenesisL1: 3D structure, binding sites and…
- PDB
- 2FF4
- Type
- protein
- Length
- 766 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Probable regulatory protein embr; DNA repair protein RAD9
- UniProt
- P66799, P14737
- Pockets
- 8 · best druggability 0.86
Structure
x-ray diffraction · 4 distinct chains · 47% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Probable regulatory protein embr | protein | 379 | 47% helix, 17% strand | P66799 |
| B | Probable regulatory protein embr | protein | 373 | 49% helix, 17% strand | P66799 |
| E | DNA repair protein RAD9 | protein | 8 | 0% helix, 0% strand | P14737 |
| F | DNA repair protein RAD9 | protein | 6 | 0% helix, 0% strand | P14737 |
Pockets
8 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 651 | 0.86 | 0.90 | 98 | empty |
| 2 | 405 | 0.68 | 0.80 | 67 | empty |
| 3 | 64 | 0.61 | 0.91 | 19 | empty |
| 4 | 234 | 0.57 | 0.79 | 30 | empty |
| 5 | 148 | 0.43 | 0.75 | 23 | empty |
Interfaces
6 interfaces between chains.
- A–B · 1383 Ų buried · 22 hydrogen bonds · protein-protein
- A–E · 459 Ų buried · 18 hydrogen bonds · protein-protein
- B–F · 361 Ų buried · 14 hydrogen bonds · protein-protein
- E–F · 197 Ų buried · 7 hydrogen bonds · protein-protein
- B–E · 168 Ų buried · 3 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 modified (phosphorylation).
Compared structures
- 2FF4 · Mycobacterium tuberculosis EmbR in complex with low affinity phosphopeptide · the same entry in another collection · chain A against A, TM-score 1.00
- P14737 · AlphaFold monomer V2.0 prediction for DNA repair protein RAD9 (P14737) · a predicted model of the same protein · chain F against A, TM-score 0.76
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 P66799
- Every structure of UniProt P14737
- Elsewhere: RCSB PDB 2FF4 · PDBe 2FF4 · UniProt P66799 · UniProt P14737
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