MolNFT v1 · #86234 · protein
Structure of unphosphorylated baer dimer
4B09 · Transcriptional regulatory protein baer: “Structure of unphosphorylated baer dimer”. X-ray diffraction, 1 ligand (TBR), 20 pockets (best druggability 0.85). MolNFT v1 #86234 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 4B09
- Type
- protein
- Length
- 2,604 residues
- Chains
- 12
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Transcriptional regulatory protein baer
- UniProt
- P69229
- Ligands
- TBR
- Pockets
- 20 · best druggability 0.85
Structure
x-ray diffraction · 2 distinct chains · 37% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C, E, G, I, K | Transcriptional regulatory protein baer | protein | 218 | 37% helix, 21% strand | P69229 |
| B, D, F, H, J, L | Transcriptional regulatory protein baer | protein | 216 | 38% helix, 22% strand | P69229 |
Ligands and binding sites
- TBR · Hexatantalum dodecabromide · ligand · 9 copies · chains A, B, C, I, D, E, K, F, G, L
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 11 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1015 | 0.85 | 0.86 | 94 | empty |
| 2 | 1120 | 0.84 | 0.85 | 96 | empty |
| 3 | 1145 | 0.84 | 0.85 | 103 | empty |
| 4 | 1094 | 0.84 | 0.85 | 104 | empty |
| 5 | 1098 | 0.84 | 0.85 | 101 | empty |
Interfaces
35 interfaces between chains.
- F–I · 2007 Ų buried · 31 hydrogen bonds · protein-protein
- B–G · 1971 Ų buried · 25 hydrogen bonds · protein-protein
- A–H · 1962 Ų buried · 25 hydrogen bonds · protein-protein
- C–L · 1958 Ų buried · 20 hydrogen bonds · protein-protein
- E–J · 1935 Ų buried · 24 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 24 modified (artifact).
Compared structures
- 4B09 · Structure of unphosphorylated BaeR dimer · the same entry in another collection · chain I against I, 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 P69229
- Elsewhere: RCSB PDB 4B09 · PDBe 4B09 · UniProt P69229
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