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Murine acyloxyacyl hydrolase (aoah), S262A mutant, with dimyristoyl phosphatidylcholine
Analyse Murine acyloxyacyl hydrolase (aoah), S262A mutant, with dimyristoyl… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5W7E
- Type
- protein
- Length
- 1,047 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Acyloxyacyl hydrolase
- EC
- 3.1.1.77
- UniProt
- O35298
- Ligands
- FAW, NAG, CA
- Pockets
- 11 · best druggability 0.77
Structure
x-ray diffraction · 2 distinct chains · 47% helix, 8% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Acyloxyacyl hydrolase (EC 3.1.1.77) | protein | 521 | 47% helix, 8% strand | O35298 |
| B | Acyloxyacyl hydrolase (EC 3.1.1.77) | protein | 526 | 47% helix, 8% strand | O35298 |
Ligands and binding sites
- FAW · (2S)-3-hydroxypropane-1,2-diyl ditetradecanoate · ligand · 2 copies · chains A, B
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 4 copies · chains A, B
- CA · Calcium ion · metal · 6 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
11 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 684 | 0.77 | 0.82 | 75 | FAW |
| 2 | 869 | 0.77 | 0.80 | 73 | FAW |
| 3 | 78 | 0.75 | 0.98 | 22 | empty |
| 4 | 64 | 0.73 | 0.98 | 17 | empty |
| 5 | 795 | 0.73 | 0.78 | 63 | empty |
Interfaces
1 interface between chains.
- A–B · 860 Ų buried · 6 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 16 disulfide, 4 glycan (disulfide, N-glycosylation).
Compared structures
- 5W7E · Murine acyloxyacyl hydrolase (AOAH), S262A mutant, with dimyristoyl phosphatidylcholine · the same entry in another collection · chain A against A, TM-score 1.00
- O35298 · AlphaFold monomer V2.0 prediction for acyloxyacyl hydrolase (O35298) · a predicted model of the same protein · chain A against A, TM-score 0.98
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 O35298
- Elsewhere: RCSB PDB 5W7E · PDBe 5W7E · UniProt O35298
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