MolNFT v1 · #138059 · protein
Rabbit acyloxyacyl hydrolase (aoah), proteolytically processed, S262A mutant, with lps (low quality saposin domain)
5W7A · Acyloxyacyl hydrolase small subunit: “Rabbit acyloxyacyl hydrolase (aoah), proteolytically processed, S262A mutant, with lps (low quality saposin…”. X-ray diffraction, 4 ligands (FTT, NAG, CA), 7 pockets (best druggability 0.77).…
- PDB
- 5W7A
- Type
- protein
- Length
- 485 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Acyloxyacyl hydrolase small subunit; Acyloxyacyl hydrolase large subunit
- EC
- 3.1.1.77
- UniProt
- O18823
- Ligands
- FTT, NAG, CA, PO4
- Pockets
- 7 · best druggability 0.77
Structure
x-ray diffraction · 2 distinct chains · 44% helix, 8% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Acyloxyacyl hydrolase small subunit (EC 3.1.1.77) | protein | 78 | 65% helix, 0% strand | O18823 |
| B | Acyloxyacyl hydrolase large subunit (EC 3.1.1.77) | protein | 407 | 39% helix, 9% strand | O18823 |
Ligands and binding sites
- FTT · 3-hydroxy-tetradecanoic acid · ligand · chains A, B
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 3 copies · chains B
- CA · Calcium ion · metal · 3 copies · chains B
- PO4 · Phosphate ion · ion · chains B
- P6G · Hexaethylene glycol · additive · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 94 | 0.77 | 0.97 | 18 | empty |
| 2 | 590 | 0.75 | 0.81 | 62 | FTT |
| 3 | 262 | 0.50 | 0.74 | 33 | empty |
| 4 | 177 | 0.48 | 0.75 | 24 | empty |
| 5 | 79 | 0.33 | 0.74 | 21 | empty |
Interfaces
1 interface between chains.
- A–B · 986 Ų buried · 4 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 7 disulfide, 2 glycan (disulfide, N-glycosylation).
Compared structures
- 5W7A · Rabbit acyloxyacyl hydrolase (AOAH), proteolytically processed, S262A mutant, with LPS… · the same entry in another collection · chain A against A, TM-score 1.00
- O18823 · AlphaFold monomer V2.0 prediction for acyloxyacyl hydrolase (O18823) · a predicted model of the same protein · chain B against A, TM-score 0.99
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 O18823
- Elsewhere: RCSB PDB 5W7A · PDBe 5W7A · UniProt O18823
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