MolNFT v1 · #1501 · protein
Structural response to mutation at a protein-protein interface
1B3S · Protein (barnase): “Structural response to mutation at a protein-protein interface”. X-ray diffraction, 7 pockets (best druggability 0.59). MolNFT v1 #1501 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1B3S
- 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
- 7 · best druggability 0.59
Structure
x-ray diffraction · 5 distinct chains · 34% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Protein (barnase) (EC 3.1.27.3) | protein | 110 | 19% helix, 23% strand | P00648 |
| C | Protein (barnase) (EC 3.1.27.3) | protein | 108 | 19% helix, 23% strand | P00648 |
| D | Protein (barstar) | protein | 90 | 47% helix, 19% strand | P11540 |
| E | Protein (barstar) | protein | 80 | 44% helix, 19% strand | P11540 |
| F | Protein (barstar) | protein | 89 | 49% helix, 18% strand | P11540 |
Pockets
7 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 377 | 0.59 | 0.76 | 50 | empty |
| 2 | 118 | 0.45 | 0.78 | 23 | empty |
| 3 | 162 | 0.44 | 0.75 | 24 | empty |
| 4 | 87 | 0.40 | 0.78 | 26 | empty |
| 5 | 101 | 0.35 | 0.73 | 15 | empty |
Interfaces
6 interfaces between chains.
- B–E · 812 Ų buried · 13 hydrogen bonds · protein-protein
- A–D · 770 Ų buried · 14 hydrogen bonds · protein-protein
- C–F · 756 Ų buried · 14 hydrogen bonds · protein-protein
- A–C · 281 Ų buried · 4 hydrogen bonds · protein-protein
- A–B · 275 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 1B3S · 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 F against A, TM-score 0.98
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 1B3S · PDBe 1B3S · UniProt P00648 · UniProt P11540
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