MolNFT v1 · #37492 · protein
Structure of thermus thermophilus L-proline dehydrogenase
2G37 · Proline DEHYDROGENASE/DELTA-1-pyrroline-5-carboxylate…: “Structure of thermus thermophilus L-proline dehydrogenase”. X-ray diffraction, 1 ligand (FAD), 7 pockets (best druggability 0.74). MolNFT v1 #37492 on GenesisL1: 3D structure…
- PDB
- 2G37
- Type
- protein
- Length
- 592 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Proline DEHYDROGENASE/DELTA-1-pyrroline-5-carboxylate dehydrogenase
- EC
- 1.5.99.8
- Ligands
- FAD
- Pockets
- 7 · best druggability 0.74
Structure
x-ray diffraction · 2 distinct chains · 54% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Proline DEHYDROGENASE/DELTA-1-pyrroline-5-carboxylate dehydrogenase (EC 1.5.99.8) | protein | 292 | 54% helix, 16% strand | — |
| B | Proline DEHYDROGENASE/DELTA-1-pyrroline-5-carboxylate dehydrogenase (EC 1.5.99.8) | protein | 300 | 53% helix, 16% strand | — |
Ligands and binding sites
- FAD · Flavin-adenine dinucleotide · ligand · 2 copies · chains A, B
- MPD · (4S)-2-methyl-2,4-pentanediol · additive · 4 copies · chains A, B
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 | 754 | 0.74 | 0.79 | 60 | FAD |
| 2 | 711 | 0.72 | 0.79 | 60 | FAD |
| 3 | 93 | 0.43 | 0.78 | 15 | empty |
| 4 | 66 | 0.37 | 0.78 | 15 | empty |
| 5 | 73 | 0.36 | 0.77 | 12 | empty |
Interfaces
1 interface between chains.
- A–B · 1027 Ų buried · 8 hydrogen bonds · protein-protein
Compared structures
- 2G37 · Structure of Thermus thermophilus L-proline dehydrogenase · the same entry in another collection · 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
- Elsewhere: RCSB PDB 2G37 · PDBe 2G37
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