MolNFT v1 · #134502 · protein
Ligand binding domain of pseudomonas aeruginosa PAO1 amino acid chemoreceptor pcta in complex with L-ile
5T65 · Methyl-accepting chemotaxis protein pcta: “Ligand binding domain of pseudomonas aeruginosa PAO1 amino acid chemoreceptor pcta in complex with L-ile”. X-ray diffraction, 2 ligands (ILE, SO4), 4 pockets (best druggability 0.59).…
- PDB
- 5T65
- Type
- protein
- Length
- 479 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Methyl-accepting chemotaxis protein pcta
- UniProt
- G3XD24
- Ligands
- ILE, SO4
- Pockets
- 4 · best druggability 0.59
Structure
x-ray diffraction · 2 distinct chains · 39% helix, 29% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Methyl-accepting chemotaxis protein pcta | protein | 240 | 39% helix, 29% strand | G3XD24 |
| B | Methyl-accepting chemotaxis protein pcta | protein | 239 | 38% helix, 29% strand | G3XD24 |
Ligands and binding sites
- ILE · Isoleucine · ligand · 2 copies · chains A, B
- SO4 · Sulfate ion · ion · chains A
- ACT · Acetate ion · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 329 | 0.59 | 0.77 | 22 | empty |
| 2 | 95 | 0.35 | 0.74 | 20 | empty |
| 3 | 64 | 0.33 | 0.76 | 11 | empty |
| 4 | 79 | 0.32 | 0.74 | 21 | empty |
Interfaces
1 interface between chains.
- A–B · 1453 Ų buried · 34 hydrogen bonds · protein-protein
Compared structures
- 5T65 · Ligand binding domain of pseudomonas aeruginosa PAO1 amino acid chemoreceptor pcta in… · the same entry in another collection · chain A against A, TM-score 1.00
- G3XD24 · AlphaFold monomer V2.0 prediction for methyl-accepting chemotaxis protein pcta (G3XD24) · a predicted model of the same protein · chain B against A, TM-score 0.97
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 G3XD24
- Elsewhere: RCSB PDB 5T65 · PDBe 5T65 · UniProt G3XD24
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