MolNFT v1 · #134124 · protein
Crystal structure of toxt from vibrio cholerae O395 bound to 3-(8- methyl-1,2,3,4-tetrahydronaphthalen-1-YL)PROPANOIC acid
5SUW · Tcp pilus virulence regulatory protein: “Crystal structure of toxt from vibrio cholerae O395 bound to 3-(8…”. X-ray diffraction, 1 ligand (70G), 3 pockets (best druggability 0.82). MolNFT v1 #134124 on GenesisL1: 3D structure…
- PDB
- 5SUW
- Type
- protein
- Length
- 269 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Tcp pilus virulence regulatory protein
- UniProt
- A5F384
- Ligands
- 70G
- Pockets
- 3 · best druggability 0.82
Structure
x-ray diffraction · 1 distinct chain · 45% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Tcp pilus virulence regulatory protein | protein | 269 | 45% helix, 22% strand | A5F384 |
Ligands and binding sites
- 70G · 3-[(1R)-8-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]propanoic acid · ligand · chains A
- MES · 2-(N-morpholino)-ethanesulfonic acid · additive · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 158 | 0.82 | 0.97 | 25 | 70G |
| 2 | 60 | 0.33 | 0.77 | 13 | empty |
| 3 | 72 | 0.32 | 0.75 | 20 | MES |
Compared structures
- 5SUW · Crystal Structure of ToxT from Vibrio Cholerae O395 bound to… · the same entry in another collection · chain A against A, TM-score 1.00
- A5F384 · AlphaFold monomer V2.0 prediction for tcp pilus virulence regulatory protein (A5F384) · a predicted model of the same protein · chain A 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 A5F384
- Elsewhere: RCSB PDB 5SUW · PDBe 5SUW · UniProt A5F384
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