Research workbench
Darpin-based crystallization chaperones exploit molecular geometry as a screening dimension in protein crystallography
Analyse Darpin-based crystallization chaperones exploit molecular geometry as a… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5AQ9
- Type
- protein
- Length
- 1,580 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- OFF7_DB08V4; Maltose-binding periplasmic protein
- UniProt
- P0AEX9
- Pockets
- 15 · best druggability 0.79
Structure
x-ray diffraction · 2 distinct chains · 45% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | OFF7_DB08V4 | protein | 419 | 47% helix, 11% strand | — |
| B, D | Maltose-binding periplasmic protein | protein | 371 | 44% helix, 21% strand | P0AEX9 |
Pockets
15 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1039 | 0.79 | 0.80 | 81 | empty |
| 2 | 935 | 0.71 | 0.76 | 80 | empty |
| 3 | 339 | 0.66 | 0.80 | 29 | empty |
| 4 | 381 | 0.66 | 0.79 | 35 | empty |
| 5 | 337 | 0.58 | 0.76 | 45 | empty |
Interfaces
4 interfaces between chains.
- A–B · 757 Ų buried · 7 hydrogen bonds · protein-protein
- C–D · 741 Ų buried · 6 hydrogen bonds · protein-protein
- A–C · 514 Ų buried · 4 hydrogen bonds · protein-protein
- B–C · 40 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 5AQ9 · DARPin-based Crystallization Chaperones exploit Molecular Geometry as a Screening… · the same entry in another collection · chain A against A, TM-score 1.00
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 P0AEX9
- Elsewhere: RCSB PDB 5AQ9 · PDBe 5AQ9 · UniProt P0AEX9
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