Research workbench
Crystal structure of 3-hydroxydecanoyl-acyl carrier protein dehydratase (faba) from pseudomonas aeruginosa
Analyse Crystal structure of 3-hydroxydecanoyl-acyl carrier protein dehydratase (faba)… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4FQ9
- Type
- protein
- Length
- 1,701 residues
- Chains
- 10
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 3-hydroxydecanoyl-[acyl-carrier-protein] dehydratase
- EC
- 4.2.1.60
- UniProt
- O33877
- Ligands
- PO4
- Pockets
- 20 · best druggability 0.81
Structure
x-ray diffraction · 2 distinct chains · 18% helix, 36% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E, F, G, H, J | 3-hydroxydecanoyl-[acyl-carrier-protein] dehydratase (EC 4.2.1.60) | protein | 170 | 18% helix, 36% strand | O33877 |
| I | 3-hydroxydecanoyl-[acyl-carrier-protein] dehydratase (EC 4.2.1.60) | protein | 171 | 18% helix, 36% strand | O33877 |
Ligands and binding sites
- PO4 · Phosphate ion · ion · 10 copies · chains A, B, C, D, E, F, G, H, I, J
- GOL · Glycerol · additive · 12 copies · chains A, B, C, D, E, F, G, H, I, J
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 120 | 0.81 | 0.98 | 28 | GOL, PO4 |
| 2 | 107 | 0.79 | 0.98 | 29 | GOL, PO4 |
| 3 | 100 | 0.78 | 0.98 | 27 | PO4, GOL |
| 4 | 101 | 0.78 | 0.98 | 27 | PO4, GOL |
| 5 | 105 | 0.78 | 0.98 | 27 | PO4, GOL |
Interfaces
19 interfaces between chains.
- C–D · 1676 Ų buried · 30 hydrogen bonds · protein-protein
- A–B · 1663 Ų buried · 30 hydrogen bonds · protein-protein
- E–F · 1645 Ų buried · 27 hydrogen bonds · protein-protein
- I–J · 1642 Ų buried · 28 hydrogen bonds · protein-protein
- G–H · 1622 Ų buried · 28 hydrogen bonds · protein-protein
Compared structures
- 4FQ9 · Crystal Structure of 3-hydroxydecanoyl-Acyl Carrier Protein Dehydratase (FabA) from… · the same entry in another collection · chain J against J, TM-score 1.00
- O33877 · AlphaFold monomer V2.0 prediction for 3-hydroxydecanoyl-[acyl- carrier-protein]… · a predicted model of the same protein · chain A 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 O33877
- Elsewhere: RCSB PDB 4FQ9 · PDBe 4FQ9 · UniProt O33877
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