MolNFT v1 · #6959 · protein
Crystal structure of the bacillus subtilis regulatory protein gere
1FSE: “Crystal structure of the bacillus subtilis regulatory protein gere”. X-ray diffraction, 1 ligand (SO4), 4 pockets (best druggability 0.43). MolNFT v1 #6959 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1FSE
- Type
- protein
- Length
- 384 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Gere
- UniProt
- P11470
- Ligands
- SO4
- Pockets
- 4 · best druggability 0.43
Structure
x-ray diffraction · 5 distinct chains · 65% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | Gere | protein | 67 | 64% helix, 0% strand | P11470 |
| B | Gere | protein | 70 | 63% helix, 0% strand | P11470 |
| D | Gere | protein | 66 | 67% helix, 0% strand | P11470 |
| E | Gere | protein | 64 | 67% helix, 0% strand | P11470 |
| F | Gere | protein | 50 | 66% helix, 0% strand | P11470 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 4 copies · chains C, D, E
- GOL · Glycerol · additive · 3 copies · chains B, D, F
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 158 | 0.43 | 0.74 | 28 | empty |
| 2 | 104 | 0.40 | 0.76 | 25 | SO4 |
| 3 | 62 | 0.37 | 0.79 | 14 | empty |
| 4 | 58 | 0.29 | 0.75 | 16 | empty |
Interfaces
7 interfaces between chains.
- A–B · 634 Ų buried · 9 hydrogen bonds · protein-protein
- D–E · 548 Ų buried · 6 hydrogen bonds · protein-protein
- C–F · 504 Ų buried · 2 hydrogen bonds · protein-protein
- A–C · 488 Ų buried · 9 hydrogen bonds · protein-protein
- B–D · 458 Ų buried · 7 hydrogen bonds · protein-protein
Compared structures
- 1FSE · Crystal structure of the bacillus subtilis regulatory protein gere · the same entry in another collection · chain F against F, TM-score 1.00
- P11470 · AlphaFold monomer V2.0 prediction for spore germination protein gere (P11470) · a predicted model of the same protein · chain D 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 P11470
- Elsewhere: RCSB PDB 1FSE · PDBe 1FSE · UniProt P11470
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