MolNFT v1 · #164611 · protein
Structure of thermococcus litoralis DELTA(1)-pyrroline-2-carboxylate reductase in complex with NADH and L-proline
6T3E · DELTA1-pyrroline-2-carboxylate reductase: “Structure of thermococcus litoralis DELTA(1)-pyrroline-2-carboxylate reductase in complex with NADH and…”. X-ray diffraction, 2 ligands (PRO, NAI), 8 pockets (best druggability 0.75).…
- PDB
- 6T3E
- Type
- protein
- Length
- 648 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- DELTA1-pyrroline-2-carboxylate reductase
- EC
- 1.5.1.21
- Ligands
- PRO, NAI
- Pockets
- 8 · best druggability 0.75
Structure
x-ray diffraction · 2 distinct chains · 42% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | DELTA1-pyrroline-2-carboxylate reductase (EC 1.5.1.21) | protein | 323 | 41% helix, 25% strand | — |
| B | DELTA1-pyrroline-2-carboxylate reductase (EC 1.5.1.21) | protein | 325 | 42% helix, 25% strand | — |
Ligands and binding sites
- PRO · Proline · ligand · 2 copies · chains A, B
- NAI · 1,4-dihydronicotinamide adenine dinucleotide · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 376 | 0.75 | 0.86 | 45 | PRO, NAI |
| 2 | 348 | 0.72 | 0.84 | 39 | PRO, NAI |
| 3 | 55 | 0.45 | 0.84 | 17 | empty |
| 4 | 63 | 0.44 | 0.82 | 18 | empty |
| 5 | 92 | 0.40 | 0.77 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 1743 Ų buried · 16 hydrogen bonds · protein-protein
Compared structures
- 6T3E · Structure of Thermococcus litoralis Delta(1)-pyrroline-2-carboxylate reductase in complex… · 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 6T3E · PDBe 6T3E
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.