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Crystal structure of (3R)-hydroxymyristoyl-[acyl-carrier-protein] dehydratase from burkholderia thailandensis E264
Analyse Crystal structure of (3R)-hydroxymyristoyl-[acyl-carrier-protein] dehydratase… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4H4G
- Type
- protein
- Length
- 1,217 residues
- Chains
- 9
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- (3R)-hydroxymyristoyl-[acyl-carrier-protein] dehydratase
- EC
- 4.2.1.-
- UniProt
- Q2SWY7
- Pockets
- 14 · best druggability 0.85
Structure
x-ray diffraction · 8 distinct chains · 21% helix, 43% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | (3R)-hydroxymyristoyl-[acyl-carrier-protein] dehydratase (EC 4.2.1.-) | protein | 135 | 21% helix, 43% strand | Q2SWY7 |
| B | (3R)-hydroxymyristoyl-[acyl-carrier-protein] dehydratase (EC 4.2.1.-) | protein | 125 | 23% helix, 38% strand | Q2SWY7 |
| C | (3R)-hydroxymyristoyl-[acyl-carrier-protein] dehydratase (EC 4.2.1.-) | protein | 137 | 20% helix, 45% strand | Q2SWY7 |
| D | (3R)-hydroxymyristoyl-[acyl-carrier-protein] dehydratase (EC 4.2.1.-) | protein | 139 | 20% helix, 43% strand | Q2SWY7 |
| E | (3R)-hydroxymyristoyl-[acyl-carrier-protein] dehydratase (EC 4.2.1.-) | protein | 137 | 20% helix, 44% strand | Q2SWY7 |
| F, G | (3R)-hydroxymyristoyl-[acyl-carrier-protein] dehydratase (EC 4.2.1.-) | protein | 138 | 20% helix, 44% strand | Q2SWY7 |
| H | (3R)-hydroxymyristoyl-[acyl-carrier-protein] dehydratase (EC 4.2.1.-) | protein | 132 | 22% helix, 43% strand | Q2SWY7 |
| I | (3R)-hydroxymyristoyl-[acyl-carrier-protein] dehydratase (EC 4.2.1.-) | protein | 136 | 21% helix, 43% strand | Q2SWY7 |
Pockets
14 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1140 | 0.85 | 0.85 | 125 | empty |
| 2 | 84 | 0.68 | 0.92 | 16 | empty |
| 3 | 155 | 0.65 | 0.86 | 34 | empty |
| 4 | 76 | 0.64 | 0.91 | 23 | empty |
| 5 | 78 | 0.63 | 0.90 | 22 | empty |
Interfaces
9 interfaces between chains.
- D–G · 1424 Ų buried · 15 hydrogen bonds · protein-protein
- C–E · 1394 Ų buried · 17 hydrogen bonds · protein-protein
- F–I · 1359 Ų buried · 16 hydrogen bonds · protein-protein
- E–H · 1264 Ų buried · 31 hydrogen bonds · protein-protein
- A–G · 1241 Ų buried · 30 hydrogen bonds · protein-protein
Compared structures
- 4H4G · Crystal Structure of (3R)-hydroxymyristoyl-[acyl-carrier-protein] dehydratase from… · the same entry in another collection · chain I against I, TM-score 1.00
- Q2SWY7 · 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 Q2SWY7
- Elsewhere: RCSB PDB 4H4G · PDBe 4H4G · UniProt Q2SWY7
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