MolNFT v1 · #169853 · protein
Structure of human PYCR1 complexed with L-thiazolidine-4-carboxylate
6XP2 · Pyrroline-5-carboxylate reductase 1, mitochondrial: “Structure of human PYCR1 complexed with L-thiazolidine-4-carboxylate”. X-ray diffraction, 2 ligands (PRS, SO4), 10 pockets (best druggability 0.76). MolNFT v1 #169853 on…
- PDB
- 6XP2
- Type
- protein
- Length
- 1,377 residues
- Chains
- 5
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Pyrroline-5-carboxylate reductase 1, mitochondrial
- EC
- 1.5.1.2
- UniProt
- P32322
- Ligands
- PRS, SO4
- Pockets
- 10 · best druggability 0.76
Structure
x-ray diffraction · 4 distinct chains · 59% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Pyrroline-5-carboxylate reductase 1, mitochondrial (EC 1.5.1.2) | protein | 267 | 61% helix, 13% strand | P32322 |
| B | Pyrroline-5-carboxylate reductase 1, mitochondrial (EC 1.5.1.2) | protein | 279 | 58% helix, 13% strand | P32322 |
| C, E | Pyrroline-5-carboxylate reductase 1, mitochondrial (EC 1.5.1.2) | protein | 275 | 60% helix, 13% strand | P32322 |
| D | Pyrroline-5-carboxylate reductase 1, mitochondrial (EC 1.5.1.2) | protein | 281 | 58% helix, 13% strand | P32322 |
Ligands and binding sites
- PRS · Thioproline · ligand · 2 copies · chains A, B, E
- SO4 · Sulfate ion · ion · 3 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 997 | 0.76 | 0.78 | 84 | PRS |
| 2 | 67 | 0.76 | 0.99 | 20 | empty |
| 3 | 764 | 0.74 | 0.79 | 83 | SO4 |
| 4 | 534 | 0.71 | 0.80 | 50 | SO4 |
| 5 | 292 | 0.66 | 0.82 | 36 | SO4 |
Interfaces
8 interfaces between chains.
- A–B · 4455 Ų buried · 17 hydrogen bonds · protein-protein
- C–D · 4444 Ų buried · 16 hydrogen bonds · protein-protein
- A–D · 622 Ų buried · 7 hydrogen bonds · protein-protein
- B–D · 414 Ų buried · 6 hydrogen bonds · protein-protein
- C–E · 400 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
- 6XP2 · Structure of human PYCR1 complexed with L-thiazolidine-4-carboxylate · the same entry in another collection · chain A against A, 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 0.99
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 6XP2 · PDBe 6XP2 · UniProt P32322
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