MolNFT v1 · #23497 · protein
The structure of (3R)-hydroxyacyl-acp dehydratase (fabz)
1U1Z · (3R)-hydroxymyristoyl-[acyl carrier protein] dehydratase: “The structure of (3R)-hydroxyacyl-acp dehydratase (fabz)”. X-ray diffraction, 1 ligand (SO4), 8 pockets (best druggability 0.80). MolNFT v1 #23497 on GenesisL1: 3D…
- PDB
- 1U1Z
- Type
- protein
- Length
- 869 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- (3R)-hydroxymyristoyl-[acyl carrier protein] dehydratase
- EC
- 4.2.1.-
- UniProt
- Q9HXY7
- Ligands
- SO4
- Pockets
- 8 · best druggability 0.80
Structure
x-ray diffraction · 5 distinct chains · 20% helix, 42% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | (3R)-hydroxymyristoyl-[acyl carrier protein] dehydratase (EC 4.2.1.-) | protein | 142 | 19% helix, 43% strand | Q9HXY7 |
| B, F | (3R)-hydroxymyristoyl-[acyl carrier protein] dehydratase (EC 4.2.1.-) | protein | 146 | 20% helix, 43% strand | Q9HXY7 |
| C | (3R)-hydroxymyristoyl-[acyl carrier protein] dehydratase (EC 4.2.1.-) | protein | 146 | 20% helix, 40% strand | Q9HXY7 |
| D | (3R)-hydroxymyristoyl-[acyl carrier protein] dehydratase (EC 4.2.1.-) | protein | 144 | 22% helix, 44% strand | Q9HXY7 |
| E | (3R)-hydroxymyristoyl-[acyl carrier protein] dehydratase (EC 4.2.1.-) | protein | 145 | 20% helix, 41% strand | Q9HXY7 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 5 copies · chains D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1142 | 0.80 | 0.81 | 103 | empty |
| 2 | 135 | 0.73 | 0.92 | 32 | empty |
| 3 | 59 | 0.72 | 0.98 | 24 | empty |
| 4 | 51 | 0.70 | 0.98 | 18 | empty |
| 5 | 68 | 0.69 | 0.95 | 28 | empty |
Interfaces
6 interfaces between chains.
- E–F · 1492 Ų buried · 21 hydrogen bonds · protein-protein
- A–B · 1478 Ų buried · 23 hydrogen bonds · protein-protein
- C–D · 1454 Ų buried · 25 hydrogen bonds · protein-protein
- C–E · 1201 Ų buried · 29 hydrogen bonds · protein-protein
- B–F · 1195 Ų buried · 30 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 30 modified (engineered).
Compared structures
- 1U1Z · The Structure of (3R)-hydroxyacyl-ACP dehydratase (FabZ) · the same entry in another collection · chain F against F, TM-score 1.00
- Q9HXY7 · AlphaFold monomer V2.0 prediction for 3-hydroxyacyl-[acyl-carrier- protein] dehydratase… · 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 Q9HXY7
- Elsewhere: RCSB PDB 1U1Z · PDBe 1U1Z · UniProt Q9HXY7
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