MolNFT v1 · #70734 · protein
A transition from strong right-handed to canonical left-handed supercoiling in a conserved coiled coil segment of trimeric autotransporter adhesins - the mutant 4 structure
3LT6 · Adhesin yada: “A transition from strong right-handed to canonical left-handed supercoiling in a conserved coiled coil…”. X-ray diffraction, 6 pockets (best druggability 0.54). MolNFT v1 #70734 on GenesisL1: 3D structure, binding…
- PDB
- 3LT6
- Type
- protein
- Length
- 356 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Adhesin yada
- UniProt
- P31489
- Pockets
- 6 · best druggability 0.54
Structure
x-ray diffraction · 6 distinct chains · 96% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Adhesin yada | protein | 54 | 94% helix, 0% strand | P31489 |
| B | Adhesin yada | protein | 61 | 97% helix, 0% strand | P31489 |
| C | Adhesin yada | protein | 59 | 93% helix, 0% strand | P31489 |
| D | Adhesin yada | protein | 62 | 97% helix, 0% strand | P31489 |
| E | Adhesin yada | protein | 57 | 96% helix, 0% strand | P31489 |
| F | Adhesin yada | protein | 63 | 97% helix, 0% strand | P31489 |
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 | 59 | 0.54 | 0.88 | 20 | empty |
| 2 | 174 | 0.50 | 0.77 | 26 | empty |
| 3 | 119 | 0.35 | 0.72 | 15 | empty |
| 4 | 109 | 0.35 | 0.73 | 16 | empty |
| 5 | 90 | 0.34 | 0.74 | 14 | empty |
Interfaces
11 interfaces between chains.
- D–F · 1395 Ų buried · 15 hydrogen bonds · protein-protein
- B–C · 1394 Ų buried · 15 hydrogen bonds · protein-protein
- D–E · 1225 Ų buried · 12 hydrogen bonds · protein-protein
- A–C · 1182 Ų buried · 15 hydrogen bonds · protein-protein
- A–B · 1114 Ų buried · 10 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 modified (engineered).
Compared structures
- 3LT6 · A transition from strong right-handed to canonical left-handed supercoiling in a… · the same entry in another collection · chain F against F, TM-score 1.00
- P31489 · AlphaFold monomer V2.0 prediction for adhesin yada (P31489) · a predicted model of the same protein · chain A against A, TM-score 0.82
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 P31489
- Elsewhere: RCSB PDB 3LT6 · PDBe 3LT6 · UniProt P31489
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