Research workbench
Structural response to mutation at a protein-protein interface
Analyse Structural response to mutation at a protein-protein interface in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1B2U
- Type
- protein
- Length
- 587 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Protein (barnase); Protein (barstar)
- EC
- 3.1.27.3
- UniProt
- P00648, P11540
- Pockets
- 6 · best druggability 0.59
Structure
x-ray diffraction · 5 distinct chains · 36% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Protein (barnase) (EC 3.1.27.3) | protein | 110 | 22% helix, 23% strand | P00648 |
| C | Protein (barnase) (EC 3.1.27.3) | protein | 108 | 23% helix, 23% strand | P00648 |
| D | Protein (barstar) | protein | 90 | 49% helix, 19% strand | P11540 |
| E | Protein (barstar) | protein | 80 | 45% helix, 19% strand | P11540 |
| F | Protein (barstar) | protein | 89 | 51% helix, 18% strand | P11540 |
Pockets
6 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 348 | 0.59 | 0.77 | 41 | empty |
| 2 | 149 | 0.50 | 0.79 | 33 | empty |
| 3 | 145 | 0.49 | 0.79 | 34 | empty |
| 4 | 75 | 0.47 | 0.83 | 24 | empty |
| 5 | 148 | 0.40 | 0.73 | 19 | empty |
Interfaces
6 interfaces between chains.
- B–E · 764 Ų buried · 15 hydrogen bonds · protein-protein
- A–D · 732 Ų buried · 16 hydrogen bonds · protein-protein
- C–F · 715 Ų buried · 13 hydrogen bonds · protein-protein
- A–C · 311 Ų buried · 4 hydrogen bonds · protein-protein
- A–B · 305 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 1B2U · Structural response to mutation at a protein-protein interface · the same entry in another collection · chain F against F, 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 D against A, TM-score 0.99
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 1B2U · PDBe 1B2U · UniProt P00648 · UniProt P11540
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