MolNFT v1 · #36830 · protein
Structure of acyl carrier protein bound to fabi, the enoyl reductase from escherichia COLI
2FHS · Enoyl-[acyl-carrier-protein] reductase, NADH-dependent: “Structure of acyl carrier protein bound to fabi, the enoyl reductase from escherichia COLI”. X-ray diffraction, 6 pockets (best druggability 0.62). MolNFT v1 #36830 on…
- PDB
- 2FHS
- Type
- protein
- Length
- 568 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Enoyl-[acyl-carrier-protein] reductase, NADH-dependent; Acyl carrier protein
- EC
- 1.3.1.9
- UniProt
- P0A6A8
- Pockets
- 6 · best druggability 0.62
Structure
x-ray diffraction · 3 distinct chains · 47% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Enoyl-[acyl-carrier-protein] reductase, NADH-dependent (EC 1.3.1.9) | protein | 258 | 48% helix, 14% strand | — |
| B | Enoyl-[acyl-carrier-protein] reductase, NADH-dependent (EC 1.3.1.9) | protein | 253 | 47% helix, 16% strand | — |
| C | Acyl carrier protein | protein | 57 | 42% helix, 0% strand | P0A6A8 |
Pockets
6 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 507 | 0.62 | 0.75 | 47 | empty |
| 2 | 379 | 0.60 | 0.76 | 43 | empty |
| 3 | 98 | 0.46 | 0.79 | 20 | empty |
| 4 | 140 | 0.40 | 0.74 | 28 | empty |
| 5 | 81 | 0.40 | 0.78 | 22 | empty |
Interfaces
2 interfaces between chains.
- A–B · 1674 Ų buried · 35 hydrogen bonds · protein-protein
- A–C · 32 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 2FHS · Structure of Acyl Carrier Protein Bound to FabI, the Enoyl Reductase from Escherichia Coli · the same entry in another collection · chain A against A, TM-score 1.00
- P0A6A8 · AlphaFold monomer V2.0 prediction for acyl carrier protein (P0A6A8) · a predicted model of the same protein · chain C against A, TM-score 0.78
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 P0A6A8
- Elsewhere: RCSB PDB 2FHS · PDBe 2FHS · UniProt P0A6A8
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