MolNFT v1 · #1928 · protein
Recognition between a bacterial ribonuclease, barnase, and its natural inhibitor, barstar
1BGS: “Recognition between a bacterial ribonuclease, barnase, and its natural inhibitor, barstar”. X-ray diffraction, 4 pockets (best druggability 0.45). MolNFT v1 #1928 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1BGS
- Type
- protein
- Length
- 597 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Barnase; Barstar
- EC
- 3.1.27.-
- UniProt
- P00648, P11540
- Pockets
- 4 · best druggability 0.45
Structure
x-ray diffraction · 2 distinct chains · 32% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C | Barnase (EC 3.1.27.-) | protein | 110 | 20% helix, 23% strand | P00648 |
| E, F, G | Barstar | protein | 89 | 47% helix, 18% strand | P11540 |
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 | 131 | 0.45 | 0.77 | 24 | empty |
| 2 | 101 | 0.44 | 0.78 | 22 | empty |
| 3 | 96 | 0.41 | 0.77 | 24 | empty |
| 4 | 52 | 0.32 | 0.78 | 18 | empty |
Interfaces
5 interfaces between chains.
- A–E · 840 Ų buried · 15 hydrogen bonds · protein-protein
- C–G · 817 Ų buried · 19 hydrogen bonds · protein-protein
- B–F · 817 Ų buried · 16 hydrogen bonds · protein-protein
- F–G · 554 Ų buried · 10 hydrogen bonds · protein-protein
- A–B · 170 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
- 1BGS · Recognition between a bacterial ribonuclease, barnase, and its natural inhibitor, barstar · the same entry in another collection · chain G against G, TM-score 1.00
- P00648 · AlphaFold monomer V2.0 prediction for ribonuclease (P00648) · a predicted model of the same protein · chain A against A, TM-score 0.99
- P11540 · AlphaFold monomer V2.0 prediction for barstar (P11540) · a predicted model of the same protein · chain E 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 P00648
- Every structure of UniProt P11540
- Elsewhere: RCSB PDB 1BGS · PDBe 1BGS · UniProt P00648 · UniProt P11540
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