MolNFT v1 · #173026 · protein
Gqqa- a novel type of quorum quenching acylases
7AM0 · Prephenate dehydratase: “Gqqa- a novel type of quorum quenching acylases”. X-ray diffraction, 1 ligand (PHE), 20 pockets (best druggability 0.87). MolNFT v1 #173026 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7AM0
- Type
- protein
- Length
- 1,106 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Prephenate dehydratase
- EC
- 4.2.1.51
- UniProt
- A0A0M0ELU2
- Ligands
- PHE
- Pockets
- 20 · best druggability 0.87
Structure
x-ray diffraction · 3 distinct chains · 27% helix, 36% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Prephenate dehydratase (EC 4.2.1.51) | protein | 277 | 28% helix, 35% strand | A0A0M0ELU2 |
| B, D | Prephenate dehydratase (EC 4.2.1.51) | protein | 278 | 28% helix, 37% strand | A0A0M0ELU2 |
| C | Prephenate dehydratase (EC 4.2.1.51) | protein | 273 | 25% helix, 36% strand | A0A0M0ELU2 |
Ligands and binding sites
- PHE · Phenylalanine · ligand · 4 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 873 | 0.87 | 0.89 | 80 | empty |
| 2 | 487 | 0.81 | 0.88 | 57 | empty |
| 3 | 626 | 0.80 | 0.85 | 60 | empty |
| 4 | 182 | 0.79 | 0.94 | 35 | empty |
| 5 | 68 | 0.73 | 0.97 | 21 | PHE |
Interfaces
6 interfaces between chains.
- A–B · 2245 Ų buried · 27 hydrogen bonds · protein-protein
- C–D · 2149 Ų buried · 25 hydrogen bonds · protein-protein
- A–C · 404 Ų buried · 6 hydrogen bonds · protein-protein
- B–D · 366 Ų buried · 5 hydrogen bonds · protein-protein
- A–D · 127 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 7AM0 · GqqA- a novel type of quorum quenching acylases · 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 A0A0M0ELU2
- Elsewhere: RCSB PDB 7AM0 · PDBe 7AM0 · UniProt A0A0M0ELU2
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