MolNFT v1 · #37854 · protein
Crystal structure and oxidative mechanism of human pyrroline-5- carboxylate reductase
2GER · Pyrroline-5-carboxylate reductase 1: “Crystal structure and oxidative mechanism of human pyrroline-5- carboxylate reductase”. X-ray diffraction, 20 pockets (best druggability 0.67). MolNFT v1 #37854 on GenesisL1: 3D structure…
- PDB
- 2GER
- Type
- protein
- Length
- 1,384 residues
- Chains
- 5
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Pyrroline-5-carboxylate reductase 1
- EC
- 1.5.1.2
- UniProt
- P32322
- Pockets
- 20 · best druggability 0.67
Structure
x-ray diffraction · 2 distinct chains · 46% helix, 9% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C, D, E | Pyrroline-5-carboxylate reductase 1 (EC 1.5.1.2) | protein | 277 | 48% helix, 12% strand | P32322 |
| B | Pyrroline-5-carboxylate reductase 1 (EC 1.5.1.2) | protein | 276 | 45% helix, 7% strand | P32322 |
Pockets
20 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 68 | 0.67 | 0.94 | 23 | empty |
| 2 | 51 | 0.65 | 0.95 | 19 | empty |
| 3 | 225 | 0.56 | 0.78 | 45 | empty |
| 4 | 344 | 0.54 | 0.74 | 39 | empty |
| 5 | 391 | 0.54 | 0.72 | 36 | empty |
Interfaces
5 interfaces between chains.
- C–D · 407 Ų buried · 3 hydrogen bonds · protein-protein
- B–E · 402 Ų buried · 5 hydrogen bonds · protein-protein
- A–C · 389 Ų buried · 10 hydrogen bonds · protein-protein
- A–E · 375 Ų buried · 5 hydrogen bonds · protein-protein
- B–D · 370 Ų buried · 10 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 5 disulfide (disulfide).
Compared structures
- 2GER · Crystal Structure and Oxidative Mechanism of Human Pyrroline-5-carboxylate Reductase · the same entry in another collection · chain B against B, TM-score 1.00
- P32322 · AlphaFold monomer V2.0 prediction for pyrroline-5-carboxylate reductase 1, mitochondrial… · a predicted model of the same protein · chain A against A, TM-score 0.98
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 P32322
- Elsewhere: RCSB PDB 2GER · PDBe 2GER · UniProt P32322
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