MolNFT v1 · #161043 · protein
Crystal structure of enoyl-[acyl-carrier-protein] reductase from mycobacterium avium with bound NAD
6Q1Y · Enoyl-[acyl-carrier-protein] reductase [NADH]: “Crystal structure of enoyl-[acyl-carrier-protein] reductase from mycobacterium avium with bound NAD”. X-ray diffraction, 1 ligand (NAD), 2 pockets (best druggability 0.78). MolNFT v1…
- PDB
- 6Q1Y
- Type
- protein
- Length
- 267 residues
- Chains
- 1
- 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
- A0A0H2ZSV5
- Ligands
- NAD
- Pockets
- 2 · best druggability 0.78
Structure
x-ray diffraction · 1 distinct chain · 47% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Enoyl-[acyl-carrier-protein] reductase [NADH] (EC 1.3.1.9) | protein | 267 | 47% helix, 15% strand | A0A0H2ZSV5 |
Ligands and binding sites
- NAD · Nicotinamide-adenine-dinucleotide · ligand · chains A
- PG4 · Tetraethylene glycol · additive · 2 copies · chains A
- ACT · Acetate ion · additive · chains A
- PEG · Di(hydroxyethyl)ether · additive · chains A
- EDO · 1,2-ethanediol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 549 | 0.78 | 0.84 | 50 | NAD |
| 2 | 73 | 0.39 | 0.79 | 17 | empty |
Compared structures
- 6Q1Y · Crystal Structure of Enoyl-[acyl-carrier-protein] reductase from Mycobacterium avium with… · 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 A0A0H2ZSV5
- Elsewhere: RCSB PDB 6Q1Y · PDBe 6Q1Y · UniProt A0A0H2ZSV5
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