MolNFT v1 · #136268 · protein
Crystal structure of NADPH-dependent GLYOXYLATE/HYDROXYPYRUVATE reductase SMC02828 (smghra) from sinorhizobium meliloti in apo form
5UNN: “Crystal structure of NADPH-dependent GLYOXYLATE/HYDROXYPYRUVATE reductase SMC02828 (smghra) from…”. X-ray diffraction, 1 ligand (CL), 5 pockets (best druggability 0.61). MolNFT v1 #136268 on GenesisL1: 3D structure, binding sites…
- PDB
- 5UNN
- Type
- protein
- Length
- 456 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- NADPH-dependent GLYOXYLATE/HYDROXYPYRUVATE reductase
- EC
- 1.1.1.-
- UniProt
- Q92T34
- Ligands
- CL
- Pockets
- 5 · best druggability 0.61
Structure
x-ray diffraction · 2 distinct chains · 37% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | NADPH-dependent GLYOXYLATE/HYDROXYPYRUVATE reductase (EC 1.1.1.-) | protein | 256 | 38% helix, 16% strand | Q92T34 |
| B | NADPH-dependent GLYOXYLATE/HYDROXYPYRUVATE reductase (EC 1.1.1.-) | protein | 200 | 35% helix, 16% strand | Q92T34 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 427 | 0.61 | 0.76 | 54 | CL |
| 2 | 203 | 0.48 | 0.75 | 25 | empty |
| 3 | 104 | 0.45 | 0.79 | 17 | GOL |
| 4 | 89 | 0.43 | 0.79 | 16 | GOL |
| 5 | 82 | 0.32 | 0.74 | 20 | empty |
Interfaces
1 interface between chains.
- A–B · 2219 Ų buried · 22 hydrogen bonds · protein-protein
Compared structures
- 5UNN · Crystal structure of NADPH-dependent glyoxylate/hydroxypyruvate reductase SMc02828… · 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 Q92T34
- Elsewhere: RCSB PDB 5UNN · PDBe 5UNN · UniProt Q92T34
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