MolNFT v1 · #98695 · protein
Structure of mouse 1-pyrroline-5-carboxylate dehydrogenase (ALDH4A1) complexed with succinate
4LH2 · Delta-1-pyrroline-5-carboxylate dehydrogenase, mitochondrial: “Structure of mouse 1-pyrroline-5-carboxylate dehydrogenase (ALDH4A1) complexed with succinate”. X-ray diffraction, 10 pockets (best druggability 0.79). MolNFT v1 #98695…
- PDB
- 4LH2
- Type
- protein
- Length
- 1,078 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
- Pockets
- 10 · best druggability 0.79
Structure
x-ray diffraction · 2 distinct chains · 41% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Delta-1-pyrroline-5-carboxylate dehydrogenase, mitochondrial (EC 1.5.1.12) | protein | 534 | 42% helix, 21% strand | Q8CHT0 |
| B | Delta-1-pyrroline-5-carboxylate dehydrogenase, mitochondrial (EC 1.5.1.12) | protein | 544 | 41% helix, 20% strand | Q8CHT0 |
Ligands and binding sites
- 1PE · Pentaethylene glycol · additive · 2 copies · chains A, B
- SIN · Succinic acid · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 227 | 0.79 | 0.92 | 52 | empty |
| 2 | 142 | 0.78 | 0.96 | 30 | empty |
| 3 | 541 | 0.75 | 0.83 | 71 | SIN |
| 4 | 476 | 0.74 | 0.83 | 69 | SIN |
| 5 | 358 | 0.59 | 0.76 | 40 | empty |
Interfaces
1 interface between chains.
- A–B · 4786 Ų buried · 86 hydrogen bonds · protein-protein
Compared structures
- 4LH2 · 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 4LH2 · PDBe 4LH2 · UniProt Q8CHT0
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