MolNFT v1 · #125520 · protein
Structure of the T175V ETR1P mutant in the monoclinic form P21
5LB9 · Enoyl-[acyl-carrier-protein] reductase [NADPH, B-specific]…: “Structure of the T175V ETR1P mutant in the monoclinic form P21”. X-ray diffraction, 3 ligands (NAP, NA, SO4), 8 pockets (best druggability 0.79). MolNFT v1 #125520 on…
- PDB
- 5LB9
- Type
- protein
- Length
- 730 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Enoyl-[acyl-carrier-protein] reductase [NADPH, B-specific] 1, mitochondrial
- EC
- 1.3.1.10, 1.3.1.38
- UniProt
- Q8WZM3
- Ligands
- NAP, NA, SO4
- Pockets
- 8 · best druggability 0.79
Structure
x-ray diffraction · 1 distinct chain · 35% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Enoyl-[acyl-carrier-protein] reductase [NADPH, B-specific] 1, mitochondrial (EC 1.3.1.10, 1.3.1.38) | protein | 365 | 35% helix, 25% strand | Q8WZM3 |
Ligands and binding sites
- NAP · Nadp nicotinamide-adenine-dinucleotide phosphate · ligand · chains A, B
- NA · Sodium ion · metal · 3 copies · chains A, B
- SO4 · Sulfate ion · ion · 13 copies · chains A, B
- GOL · Glycerol · additive · 6 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 904 | 0.79 | 0.81 | 76 | NAP, SO4, GOL, NA |
| 2 | 661 | 0.71 | 0.78 | 75 | NA, SO4 |
| 3 | 143 | 0.46 | 0.77 | 21 | SO4 |
| 4 | 55 | 0.33 | 0.78 | 13 | empty |
| 5 | 67 | 0.32 | 0.75 | 18 | GOL |
Interfaces
1 interface between chains.
- A–B · 930 Ų buried · 11 hydrogen bonds · protein-protein
Compared structures
- 5LB9 · Structure of the T175V Etr1p mutant in the monoclinic form P21 · the same entry in another collection · chain A against A, TM-score 1.00
- Q8WZM3 · AlphaFold monomer V2.0 prediction for enoyl-[acyl-carrier-protein] reductase 1… · a predicted model of the same protein · 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 Q8WZM3
- Elsewhere: RCSB PDB 5LB9 · PDBe 5LB9 · UniProt Q8WZM3
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