MolNFT v1 · #125543 · protein
Structure of the T175V ETR1P mutant in the trigonal form P312 in complex with NADP and crotonyl-CoA
5LBX · Enoyl-[acyl-carrier-protein] reductase [NADPH, B-specific]…: “Structure of the T175V ETR1P mutant in the trigonal form P312 in complex with NADP and crotonyl-CoA”. X-ray diffraction, 4 ligands (NAP, COO, SO4), 7 pockets (best…
- PDB
- 5LBX
- 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, COO, SO4, CL
- Pockets
- 7 · best druggability 0.78
Structure
x-ray diffraction · 1 distinct chain · 34% 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 | 34% helix, 25% strand | Q8WZM3 |
Ligands and binding sites
- NAP · Nadp nicotinamide-adenine-dinucleotide phosphate · ligand · 2 copies · chains A, B
- COO · Crotonyl coenzyme A · ligand · 2 copies · chains A, B
- SO4 · Sulfate ion · ion · 13 copies · chains A, B
- CL · Chloride ion · ion · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 890 | 0.78 | 0.81 | 76 | NAP, SO4, COO |
| 2 | 863 | 0.78 | 0.81 | 82 | NAP, COO |
| 3 | 138 | 0.41 | 0.74 | 21 | empty |
| 4 | 103 | 0.38 | 0.75 | 19 | empty |
| 5 | 68 | 0.28 | 0.73 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 950 Ų buried · 9 hydrogen bonds · protein-protein
Compared structures
- 5LBX · Structure of the T175V Etr1p mutant in the trigonal form P312 in complex with NADP and… · 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 B against A, TM-score 0.99
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 5LBX · PDBe 5LBX · UniProt Q8WZM3
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