Research workbench
Malarial enoyl acyl acp reductase bound with inh-NAD adduct
Analyse Malarial enoyl acyl acp reductase bound with inh-NAD adduct in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2NQ8
- Type
- protein
- Length
- 578 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Enoyl-acyl carrier reductase
- UniProt
- Q9BH77
- Ligands
- ZID
- Pockets
- 3 · best druggability 0.82
Structure
x-ray diffraction · 2 distinct chains · 45% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Enoyl-acyl carrier reductase | protein | 229 | 43% helix, 21% strand | Q9BH77 |
| C, D | Enoyl-acyl carrier reductase | protein | 60 | 52% helix, 7% strand | Q9BH77 |
Ligands and binding sites
- ZID · Isonicotinic-acetyl-nicotinamide-adenine dinucleotide · ligand · 2 copies · chains A, C, B, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 795 | 0.82 | 0.85 | 70 | ZID |
| 2 | 785 | 0.81 | 0.84 | 61 | ZID |
| 3 | 277 | 0.55 | 0.77 | 23 | empty |
Interfaces
5 interfaces between chains.
- B–D · 1640 Ų buried · 27 hydrogen bonds · protein-protein
- A–C · 1626 Ų buried · 34 hydrogen bonds · protein-protein
- C–D · 1000 Ų buried · 15 hydrogen bonds · protein-protein
- B–C · 438 Ų buried · 7 hydrogen bonds · protein-protein
- A–D · 414 Ų buried · 8 hydrogen bonds · protein-protein
Compared structures
- 2NQ8 · Malarial enoyl acyl ACP reductase bound with INH-NAD adduct · 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 Q9BH77
- Elsewhere: RCSB PDB 2NQ8 · PDBe 2NQ8 · UniProt Q9BH77
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.