MolNFT v1 · #179488 · protein
Structure of enoyl-[acyl-carrier-protein] reductase [NADH] from mycobacterium fortuitum bound to NAD
7K73: “Structure of enoyl-[acyl-carrier-protein] reductase [NADH] from mycobacterium fortuitum bound to NAD”. X-ray diffraction, 1 ligand (NAD), 12 pockets (best druggability 0.83). MolNFT v1 #179488 on GenesisL1: 3D structure, binding…
- PDB
- 7K73
- Type
- protein
- Length
- 1,060 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Enoyl-[acyl-carrier-protein] reductase [NADH]
- EC
- 1.3.1.9
- UniProt
- A0A0N9XSE6
- Ligands
- NAD
- Pockets
- 12 · best druggability 0.83
Structure
x-ray diffraction · 3 distinct chains · 46% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | Enoyl-[acyl-carrier-protein] reductase [NADH] (EC 1.3.1.9) | protein | 268 | 44% helix, 16% strand | A0A0N9XSE6 |
| E | Enoyl-[acyl-carrier-protein] reductase [NADH] (EC 1.3.1.9) | protein | 259 | 46% helix, 17% strand | A0A0N9XSE6 |
| G | Enoyl-[acyl-carrier-protein] reductase [NADH] (EC 1.3.1.9) | protein | 265 | 46% helix, 16% strand | A0A0N9XSE6 |
Ligands and binding sites
- NAD · Nicotinamide-adenine-dinucleotide · ligand · 4 copies · chains A, C, E, G
- EDO · 1,2-ethanediol · additive · 8 copies · chains A, G, C, E
- ACT · Acetate ion · additive · 4 copies · chains A, C, E, G
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
12 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1180 | 0.83 | 0.84 | 54 | empty |
| 2 | 445 | 0.80 | 0.87 | 43 | NAD, ACT |
| 3 | 448 | 0.80 | 0.87 | 45 | NAD, ACT |
| 4 | 442 | 0.80 | 0.87 | 43 | NAD, ACT |
| 5 | 406 | 0.79 | 0.88 | 42 | NAD, ACT |
Interfaces
6 interfaces between chains.
- C–E · 1522 Ų buried · 21 hydrogen bonds · protein-protein
- A–G · 1517 Ų buried · 21 hydrogen bonds · protein-protein
- E–G · 1366 Ų buried · 14 hydrogen bonds · protein-protein
- A–C · 1358 Ų buried · 14 hydrogen bonds · protein-protein
- A–E · 563 Ų buried · 9 hydrogen bonds · protein-protein
Compared structures
- 7K73 · Structure of Enoyl-[acyl-carrier-protein] reductase [NADH] from Mycobacterium fortuitum… · 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 A0A0N9XSE6
- Elsewhere: RCSB PDB 7K73 · PDBe 7K73 · UniProt A0A0N9XSE6
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