MolNFT v1 · #76105 · protein
Crystal structure of 1-pyrroline-5-carboxylate dehydrogenase from bacillus halodurans
3QAN · 1-pyrroline-5-carboxylate dehydrogenase 1: “Crystal structure of 1-pyrroline-5-carboxylate dehydrogenase from bacillus halodurans”. X-ray diffraction, 12 pockets (best druggability 0.85). MolNFT v1 #76105 on GenesisL1: 3D structure…
- PDB
- 3QAN
- Type
- protein
- Length
- 1,547 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 1-pyrroline-5-carboxylate dehydrogenase 1
- EC
- 1.5.1.12
- UniProt
- Q9K9B2
- Pockets
- 12 · best druggability 0.85
Structure
x-ray diffraction · 3 distinct chains · 40% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 1-pyrroline-5-carboxylate dehydrogenase 1 (EC 1.5.1.12) | protein | 516 | 40% helix, 22% strand | Q9K9B2 |
| B | 1-pyrroline-5-carboxylate dehydrogenase 1 (EC 1.5.1.12) | protein | 516 | 40% helix, 21% strand | Q9K9B2 |
| C | 1-pyrroline-5-carboxylate dehydrogenase 1 (EC 1.5.1.12) | protein | 515 | 40% helix, 22% strand | Q9K9B2 |
Ligands and binding sites
- ACT · Acetate ion · additive · chains C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
12 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1018 | 0.85 | 0.86 | 119 | empty |
| 2 | 267 | 0.76 | 0.89 | 46 | ACT |
| 3 | 370 | 0.74 | 0.85 | 65 | empty |
| 4 | 383 | 0.74 | 0.84 | 61 | empty |
| 5 | 495 | 0.67 | 0.78 | 41 | empty |
Interfaces
2 interfaces between chains.
- A–B · 2937 Ų buried · 57 hydrogen bonds · protein-protein
- B–C · 453 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 3QAN · Crystal structure of 1-pyrroline-5-carboxylate dehydrogenase from bacillus halodurans · the same entry in another collection · chain A against A, TM-score 1.00
- Q9K9B2 · AlphaFold monomer V2.0 prediction for 1-pyrroline-5-carboxylate dehydrogenase 1 (Q9K9B2) · 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 Q9K9B2
- Elsewhere: RCSB PDB 3QAN · PDBe 3QAN · UniProt Q9K9B2
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