Research workbench
Mammalian alkyldihydroxyacetonephosphate synthase: TYR578PHE mutant
Analyse Mammalian alkyldihydroxyacetonephosphate synthase: TYR578PHE mutant in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4BCA
- 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, SO4, CL
- Pockets
- 20 · best druggability 0.90
Structure
x-ray diffraction · 4 distinct chains · 36% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Alkyldihydroxyacetonephosphate synthase, peroxisomal (EC 2.5.1.26) | protein | 555 | 36% 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 | 35% helix, 21% strand | P97275 |
| D | Alkyldihydroxyacetonephosphate synthase, peroxisomal (EC 2.5.1.26) | protein | 550 | 37% helix, 21% strand | P97275 |
Ligands and binding sites
- FAD · Flavin-adenine dinucleotide · ligand · 4 copies · chains A, B, C, D
- SO4 · Sulfate ion · ion · 7 copies · chains A, B, C, D
- CL · Chloride ion · ion · 4 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 | 814 | 0.90 | 0.93 | 91 | FAD, CL |
| 2 | 785 | 0.90 | 0.93 | 96 | FAD, CL |
| 3 | 779 | 0.89 | 0.93 | 96 | FAD, CL |
| 4 | 661 | 0.89 | 0.94 | 77 | FAD, CL |
| 5 | 1198 | 0.83 | 0.85 | 108 | SO4 |
Interfaces
4 interfaces between chains.
- C–D · 3425 Ų buried · 55 hydrogen bonds · protein-protein
- A–B · 3398 Ų buried · 55 hydrogen bonds · protein-protein
- A–D · 683 Ų buried · 3 hydrogen bonds · protein-protein
- A–C · 463 Ų buried · 3 hydrogen bonds · protein-protein
Compared structures
- 4BCA · MAMMALIAN ALKYLDIHYDROXYACETONEPHOSPHATE SYNTHASE: Tyr578Phe mutant · the same entry in another collection · chain C against C, 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 4BCA · PDBe 4BCA · UniProt P97275
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.