Research workbench
Structure of mouse 1-pyrroline-5-carboxylate dehydrogenase (ALDH4A1) complexed with glyoxylate
Analyse Structure of mouse 1-pyrroline-5-carboxylate dehydrogenase (ALDH4A1) complexed… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4LH0
- Type
- protein
- Length
- 1,077 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Delta-1-pyrroline-5-carboxylate dehydrogenase, mitochondrial
- EC
- 1.5.1.12
- UniProt
- Q8CHT0
- Ligands
- GLV
- Pockets
- 11 · best druggability 0.79
Structure
x-ray diffraction · 2 distinct chains · 41% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Delta-1-pyrroline-5-carboxylate dehydrogenase, mitochondrial (EC 1.5.1.12) | protein | 533 | 42% helix, 22% strand | Q8CHT0 |
| B | Delta-1-pyrroline-5-carboxylate dehydrogenase, mitochondrial (EC 1.5.1.12) | protein | 544 | 40% helix, 22% strand | Q8CHT0 |
Ligands and binding sites
- GLV · Glyoxylic acid · ligand · 3 copies · chains A, B
- 1PE · Pentaethylene glycol · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
11 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 239 | 0.79 | 0.92 | 52 | empty |
| 2 | 134 | 0.78 | 0.96 | 32 | empty |
| 3 | 537 | 0.76 | 0.83 | 71 | GLV |
| 4 | 488 | 0.75 | 0.84 | 70 | GLV |
| 5 | 380 | 0.60 | 0.76 | 40 | empty |
Interfaces
1 interface between chains.
- A–B · 4824 Ų buried · 88 hydrogen bonds · protein-protein
Compared structures
- 4LH0 · Structure of mouse 1-Pyrroline-5-Carboxylate Dehydrogenase (ALDH4A1) complexed with… · the same entry in another collection · chain A against A, TM-score 1.00
- Q8CHT0 · AlphaFold monomer V2.0 prediction for delta-1-pyrroline-5-carboxylate dehydrogenase… · 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 Q8CHT0
- Elsewhere: RCSB PDB 4LH0 · PDBe 4LH0 · UniProt Q8CHT0
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