Research workbench
Water-mediate interaction at aprotein-protein interface
Analyse Water-mediate interaction at aprotein-protein interface in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1X1Y
- Type
- protein
- Length
- 594 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Ribonuclease; Barstar
- EC
- 3.1.27.-
- UniProt
- P00648, P11540
- Pockets
- 6 · best druggability 0.58
Structure
x-ray diffraction · 4 distinct chains · 35% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | Ribonuclease (EC 3.1.27.-) | protein | 108 | 22% helix, 23% strand | P00648 |
| B | Ribonuclease (EC 3.1.27.-) | protein | 110 | 23% helix, 23% strand | P00648 |
| D | Barstar | protein | 90 | 49% helix, 19% strand | P11540 |
| E, F | Barstar | protein | 89 | 52% helix, 17% strand | P11540 |
Pockets
6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 345 | 0.58 | 0.76 | 47 | empty |
| 2 | 381 | 0.57 | 0.75 | 33 | empty |
| 3 | 219 | 0.53 | 0.77 | 35 | empty |
| 4 | 145 | 0.47 | 0.77 | 27 | empty |
| 5 | 99 | 0.44 | 0.79 | 23 | empty |
Interfaces
7 interfaces between chains.
- B–E · 781 Ų buried · 19 hydrogen bonds · protein-protein
- A–D · 774 Ų buried · 17 hydrogen bonds · protein-protein
- C–F · 754 Ų buried · 18 hydrogen bonds · protein-protein
- A–B · 279 Ų buried · 2 hydrogen bonds · protein-protein
- A–C · 217 Ų buried · 3 hydrogen bonds · protein-protein
Compared structures
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 1X1Y · PDBe 1X1Y · UniProt P00648 · UniProt P11540
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