MolNFT v1 · #97226 · protein
Peptidoglycan O-acetylesterase in action, 5 min
4K7J · Gdsl-like LIPASE/ACYLHYDROLASE family protein: “Peptidoglycan O-acetylesterase in action, 5 min”. X-ray diffraction, 4 pockets (best druggability 0.76). MolNFT v1 #97226 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4K7J
- Type
- protein
- Length
- 700 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Gdsl-like LIPASE/ACYLHYDROLASE family protein
- UniProt
- L5SU74
- Pockets
- 4 · best druggability 0.76
Structure
x-ray diffraction · 1 distinct chain · 31% helix, 28% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Gdsl-like LIPASE/ACYLHYDROLASE family protein | protein | 350 | 31% helix, 28% strand | L5SU74 |
Ligands and binding sites
- EPE · 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid · additive · 4 copies · chains A, B
- 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 | 888 | 0.76 | 0.79 | 89 | ACT, EPE |
| 2 | 78 | 0.47 | 0.82 | 19 | empty |
| 3 | 73 | 0.37 | 0.78 | 17 | empty |
| 4 | 50 | 0.35 | 0.80 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 654 Ų buried · 11 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide, 1 covalent (disulfide, additive adduct).
Compared structures
- 4K7J · Peptidoglycan O-acetylesterase in action, 5 min · 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 L5SU74
- Elsewhere: RCSB PDB 4K7J · PDBe 4K7J · UniProt L5SU74
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