Research workbench
Crystal structure of NADPH-dependent GLYOXYLATE/HYDROXYPYRUVATE reductase SMC02828 (smghra) from sinorhizobium meliloti in complex with NADP and sulfate
Analyse Crystal structure of NADPH-dependent GLYOXYLATE/HYDROXYPYRUVATE reductase… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4WEQ
- Type
- protein
- Length
- 316 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- NAD-dependent dehydrogenase
- EC
- 1.1.1.79
- UniProt
- Q92T34
- Ligands
- NAP, SO4, CL
- Pockets
- 3 · best druggability 0.74
Structure
x-ray diffraction · 1 distinct chain · 35% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | NAD-dependent dehydrogenase (EC 1.1.1.79) | protein | 316 | 35% helix, 16% strand | Q92T34 |
Ligands and binding sites
- NAP · Nadp nicotinamide-adenine-dinucleotide phosphate · ligand · chains A
- SO4 · Sulfate ion · ion · 3 copies · chains A
- CL · Chloride ion · ion · chains A
- PEG · Di(hydroxyethyl)ether · additive · chains A
- GOL · Glycerol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 516 | 0.74 | 0.82 | 63 | NAP, SO4 |
| 2 | 112 | 0.43 | 0.78 | 21 | empty |
| 3 | 87 | 0.42 | 0.79 | 16 | GOL |
Compared structures
- 4WEQ · 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 4WEQ · PDBe 4WEQ · UniProt Q92T34
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.