Research workbench
Crystal structure of (3R)-hydroxymyristoyl-acp dehydratase from neisseria meningitidis FAM18
Analyse Crystal structure of (3R)-hydroxymyristoyl-acp dehydratase from neisseria… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4I83
- Type
- protein
- Length
- 864 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 3-hydroxyacyl-[acyl-carrier-protein] dehydratase fabz
- EC
- 4.2.1.59
- UniProt
- A1KRL1
- Pockets
- 15 · best druggability 0.85
Structure
x-ray diffraction · 1 distinct chain · 21% helix, 39% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C, B, D, E, F | 3-hydroxyacyl-[acyl-carrier-protein] dehydratase fabz (EC 4.2.1.59) | protein | 144 | 21% helix, 39% strand | A1KRL1 |
Pockets
15 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 296 | 0.85 | 0.96 | 54 | empty |
| 2 | 223 | 0.75 | 0.89 | 36 | empty |
| 3 | 198 | 0.73 | 0.89 | 36 | empty |
| 4 | 235 | 0.72 | 0.87 | 38 | empty |
| 5 | 209 | 0.71 | 0.87 | 37 | empty |
Interfaces
12 interfaces between chains.
- B–F · 1240 Ų buried · 26 hydrogen bonds · protein-protein
- C–E · 1239 Ų buried · 28 hydrogen bonds · protein-protein
- E–F · 1238 Ų buried · 18 hydrogen bonds · protein-protein
- A–D · 1236 Ų buried · 26 hydrogen bonds · protein-protein
- A–B · 1227 Ų buried · 15 hydrogen bonds · protein-protein
Compared structures
- 4I83 · Crystal Structure of (3R)-Hydroxymyristoyl-ACP Dehydratase from Neisseria meningitidis… · the same entry in another collection · chain F against F, TM-score 1.00
- A1KRL1 · 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 0.98
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 A1KRL1
- Elsewhere: RCSB PDB 4I83 · PDBe 4I83 · UniProt A1KRL1
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