MolNFT v1 · #97105 · protein
Peptidoglycan O-acetylesterase in action, 30 min
4K3U · Gdsl-like LIPASE/ACYLHYDROLASE family protein: “Peptidoglycan O-acetylesterase in action, 30 min”. X-ray diffraction, 5 pockets (best druggability 0.74). MolNFT v1 #97105 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4K3U
- Type
- protein
- Length
- 699 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
- 5 · best druggability 0.74
Structure
x-ray diffraction · 2 distinct chains · 32% helix, 30% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Gdsl-like LIPASE/ACYLHYDROLASE family protein | protein | 350 | 31% helix, 30% strand | L5SU74 |
| B | Gdsl-like LIPASE/ACYLHYDROLASE family protein | protein | 349 | 32% helix, 30% strand | L5SU74 |
Ligands and binding sites
- EPE · 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid · additive · 3 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, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1023 | 0.74 | 0.78 | 93 | EPE |
| 2 | 94 | 0.54 | 0.84 | 21 | empty |
| 3 | 75 | 0.39 | 0.79 | 18 | empty |
| 4 | 50 | 0.33 | 0.78 | 16 | empty |
| 5 | 55 | 0.32 | 0.77 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 655 Ų buried · 10 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 4K3U · Peptidoglycan O-acetylesterase in action, 30 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 4K3U · PDBe 4K3U · UniProt L5SU74
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