MolNFT v1 · #86623 · protein
Mammalian alkyldihydroxyacetonephosphate synthase: ARG419HIS mutant
4BC7 · Alkyldihydroxyacetonephosphate synthase, peroxisomal: “Mammalian alkyldihydroxyacetonephosphate synthase: ARG419HIS mutant”. X-ray diffraction, 3 ligands (FAD, 1DO, SO4), 20 pockets (best druggability 0.89). MolNFT v1 #86623 on…
- PDB
- 4BC7
- Type
- protein
- Length
- 2,205 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Alkyldihydroxyacetonephosphate synthase, peroxisomal
- EC
- 2.5.1.26
- UniProt
- P97275
- Ligands
- FAD, 1DO, SO4
- Pockets
- 20 · best druggability 0.89
Structure
x-ray diffraction · 4 distinct chains · 36% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Alkyldihydroxyacetonephosphate synthase, peroxisomal (EC 2.5.1.26) | protein | 555 | 35% helix, 21% strand | P97275 |
| B | Alkyldihydroxyacetonephosphate synthase, peroxisomal (EC 2.5.1.26) | protein | 543 | 37% helix, 22% strand | P97275 |
| C | Alkyldihydroxyacetonephosphate synthase, peroxisomal (EC 2.5.1.26) | protein | 557 | 36% helix, 21% strand | P97275 |
| D | Alkyldihydroxyacetonephosphate synthase, peroxisomal (EC 2.5.1.26) | protein | 550 | 36% helix, 21% strand | P97275 |
Ligands and binding sites
- FAD · Flavin-adenine dinucleotide · ligand · 4 copies · chains A, B, C, D
- 1DO · 1-dodecanol · ligand · 2 copies · chains B, C
- SO4 · Sulfate ion · ion · 2 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 16 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 810 | 0.89 | 0.93 | 99 | FAD |
| 2 | 638 | 0.89 | 0.94 | 90 | 1DO, FAD |
| 3 | 656 | 0.89 | 0.93 | 82 | 1DO, FAD |
| 4 | 860 | 0.89 | 0.91 | 106 | FAD |
| 5 | 1021 | 0.83 | 0.84 | 106 | SO4 |
Interfaces
4 interfaces between chains.
- A–B · 3371 Ų buried · 51 hydrogen bonds · protein-protein
- C–D · 3352 Ų buried · 46 hydrogen bonds · protein-protein
- A–D · 699 Ų buried · 5 hydrogen bonds · protein-protein
- A–C · 493 Ų buried · 3 hydrogen bonds · protein-protein
Compared structures
- 4BC7 · MAMMALIAN ALKYLDIHYDROXYACETONEPHOSPHATE SYNTHASE: Arg419His mutant · the same entry in another collection · chain D against D, TM-score 1.00
- P97275 · AlphaFold monomer V2.0 prediction for alkyldihydroxyacetonephosphate synthase… · a predicted model of the same protein · chain D 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 P97275
- Elsewhere: RCSB PDB 4BC7 · PDBe 4BC7 · UniProt P97275
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