MolNFT v1 · #74512 · protein
Haloferax volcanii malate synthase MAGNESIUM/GLYOXYLATE complex
3OYX: “Haloferax volcanii malate synthase MAGNESIUM/GLYOXYLATE complex”. X-ray diffraction, 4 ligands (GLV, K, MG), 3 pockets (best druggability 0.59). MolNFT v1 #74512 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3OYX
- Type
- protein
- Length
- 348 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Malate synthase
- EC
- 2.3.3.9
- UniProt
- D4GTL2
- Ligands
- GLV, K, MG, CL
- Pockets
- 3 · best druggability 0.59
Structure
x-ray diffraction · 1 distinct chain · 50% helix, 11% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Malate synthase (EC 2.3.3.9) | protein | 348 | 50% helix, 11% strand | D4GTL2 |
Ligands and binding sites
- GLV · Glyoxylic acid · ligand · 2 copies · chains A
- K · Potassium ion · metal · 3 copies · chains A
- MG · Magnesium ion · metal · chains A
- CL · Chloride ion · ion · 5 copies · 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, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 291 | 0.59 | 0.78 | 35 | empty |
| 2 | 149 | 0.54 | 0.81 | 30 | GLV |
| 3 | 68 | 0.30 | 0.74 | 16 | empty |
Compared structures
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 D4GTL2
- Elsewhere: RCSB PDB 3OYX · PDBe 3OYX · UniProt D4GTL2
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