MolNFT v1 · #101779 · protein
Toxoplasma gondii enoyl acyl carrier protein reductase
4O1M · Enoyl-acyl carrier reductase: “Toxoplasma gondii enoyl acyl carrier protein reductase”. X-ray diffraction, 1 ligand (NAD), 20 pockets (best druggability 0.86). MolNFT v1 #101779 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 4O1M
- Type
- protein
- Length
- 1,782 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Enoyl-acyl carrier reductase
- EC
- 1.3.1.9
- UniProt
- Q6UCJ9
- Ligands
- NAD
- Pockets
- 20 · best druggability 0.86
Structure
x-ray diffraction · 5 distinct chains · 46% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Enoyl-acyl carrier reductase (EC 1.3.1.9) | protein | 297 | 47% helix, 16% strand | Q6UCJ9 |
| B, D | Enoyl-acyl carrier reductase (EC 1.3.1.9) | protein | 296 | 46% helix, 16% strand | Q6UCJ9 |
| C | Enoyl-acyl carrier reductase (EC 1.3.1.9) | protein | 297 | 45% helix, 16% strand | Q6UCJ9 |
| E | Enoyl-acyl carrier reductase (EC 1.3.1.9) | protein | 298 | 46% helix, 16% strand | Q6UCJ9 |
| F | Enoyl-acyl carrier reductase (EC 1.3.1.9) | protein | 298 | 46% helix, 15% strand | Q6UCJ9 |
Ligands and binding sites
- NAD · Nicotinamide-adenine-dinucleotide · ligand · 6 copies · chains A, B, C, D, E, F
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 988 | 0.86 | 0.87 | 60 | empty |
| 2 | 650 | 0.81 | 0.86 | 52 | NAD |
| 3 | 1116 | 0.81 | 0.82 | 99 | NAD |
| 4 | 805 | 0.81 | 0.84 | 64 | NAD |
| 5 | 700 | 0.81 | 0.84 | 53 | NAD |
Interfaces
10 interfaces between chains.
- A–B · 1653 Ų buried · 37 hydrogen bonds · protein-protein
- D–F · 1645 Ų buried · 41 hydrogen bonds · protein-protein
- C–E · 1622 Ų buried · 40 hydrogen bonds · protein-protein
- B–E · 1557 Ų buried · 13 hydrogen bonds · protein-protein
- A–C · 1537 Ų buried · 13 hydrogen bonds · protein-protein
Compared structures
- 4O1M · Toxoplasma gondii Enoyl acyl carrier protein reductase · the same entry in another collection · chain A against A, TM-score 1.00
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 Q6UCJ9
- Elsewhere: RCSB PDB 4O1M · PDBe 4O1M · UniProt Q6UCJ9
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.