Research workbench
Crystal structure of a 2-hydroxy-3-oxopropionate reductase from polaromonas sp. JS666
Analyse Crystal structure of a 2-hydroxy-3-oxopropionate reductase from polaromonas sp.… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4DLL
- Type
- protein
- Length
- 573 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 2-hydroxy-3-oxopropionate reductase
- EC
- 1.1.1.60
- UniProt
- Q12CU4
- Ligands
- SO4
- Pockets
- 2 · best druggability 0.71
Structure
x-ray diffraction · 2 distinct chains · 57% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 2-hydroxy-3-oxopropionate reductase (EC 1.1.1.60) | protein | 288 | 57% helix, 15% strand | Q12CU4 |
| B | 2-hydroxy-3-oxopropionate reductase (EC 1.1.1.60) | protein | 285 | 58% helix, 15% strand | Q12CU4 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 345 | 0.71 | 0.83 | 38 | empty |
| 2 | 414 | 0.69 | 0.81 | 39 | empty |
Interfaces
1 interface between chains.
- A–B · 2834 Ų buried · 29 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 20 modified (engineered).
Compared structures
- 4DLL · Crystal structure of a 2-hydroxy-3-oxopropionate reductase from Polaromonas sp. JS666 · 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
- Every structure of UniProt Q12CU4
- Elsewhere: RCSB PDB 4DLL · PDBe 4DLL · UniProt Q12CU4
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