MolNFT v1 · #65811 · protein
A transition from strong right-handed to canonical left-handed supercoiling in a conserved coiled coil segment of trimeric autotransporter adhesins - the wildtype structure
3H7X · Adhesin yada: “A transition from strong right-handed to canonical left-handed supercoiling in a conserved coiled coil…”. X-ray diffraction, 1 pocket (best druggability 0.39). MolNFT v1 #65811 on GenesisL1: 3D structure, binding…
- PDB
- 3H7X
- Type
- protein
- Length
- 319 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Adhesin yada
- UniProt
- P0C2W0
- Pockets
- 1 · best druggability 0.39
Structure
x-ray diffraction · 5 distinct chains · 91% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Adhesin yada | protein | 57 | 88% helix, 0% strand | P0C2W0 |
| B | Adhesin yada | protein | 51 | 92% helix, 0% strand | P0C2W0 |
| C | Adhesin yada | protein | 51 | 92% helix, 0% strand | P0C2W0 |
| D | Adhesin yada | protein | 54 | 93% helix, 0% strand | P0C2W0 |
| E, F | Adhesin yada | protein | 53 | 89% helix, 0% strand | P0C2W0 |
Pockets
1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 71 | 0.39 | 0.78 | 14 | empty |
Interfaces
7 interfaces between chains.
- A–C · 1125 Ų buried · 13 hydrogen bonds · protein-protein
- A–B · 1110 Ų buried · 14 hydrogen bonds · protein-protein
- D–E · 1098 Ų buried · 16 hydrogen bonds · protein-protein
- E–F · 1097 Ų buried · 13 hydrogen bonds · protein-protein
- D–F · 1084 Ų buried · 8 hydrogen bonds · protein-protein
Compared structures
- 3H7X · 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
- P0C2W0 · AlphaFold monomer V2.0 prediction for adhesin yada (P0C2W0) · a predicted model of the same protein · chain B against A, TM-score 0.87
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 P0C2W0
- Elsewhere: RCSB PDB 3H7X · PDBe 3H7X · UniProt P0C2W0
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