MolNFT v1 · #112533 · protein
Aidc, a dizinc quorum-quenching lactonase, in complex with a product N-hexnoyl-L-homoserine
4ZO3 · Acylhomoserine lactonase: “Aidc, a dizinc quorum-quenching lactonase, in complex with a product N-hexnoyl-L-homoserine”. X-ray diffraction, 2 ligands (C6L, ZN), 5 pockets (best druggability 0.80). MolNFT v1 #112533 on GenesisL1: 3D…
- PDB
- 4ZO3
- Type
- protein
- Length
- 588 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Acylhomoserine lactonase
- UniProt
- I7HB71
- Ligands
- C6L, ZN
- Pockets
- 5 · best druggability 0.80
Structure
x-ray diffraction · 1 distinct chain · 33% helix, 28% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Acylhomoserine lactonase | protein | 294 | 33% helix, 28% strand | I7HB71 |
Ligands and binding sites
- C6L · N-hexanoyl-L-homoserine · ligand · 2 copies · chains A, B
- ZN · Zinc ion · metal · 4 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 929 | 0.80 | 0.82 | 86 | empty |
| 2 | 412 | 0.69 | 0.81 | 34 | C6L |
| 3 | 283 | 0.65 | 0.81 | 33 | C6L |
| 4 | 177 | 0.56 | 0.81 | 29 | empty |
| 5 | 57 | 0.35 | 0.78 | 19 | empty |
Interfaces
1 interface between chains.
- A–B · 1021 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 4ZO3 · AidC, a Dizinc Quorum-Quenching Lactonase, in complex with a product… · 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 I7HB71
- Elsewhere: RCSB PDB 4ZO3 · PDBe 4ZO3 · UniProt I7HB71
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