Research workbench
Burg (holo) in complex with hydroxypyruvate-enol (8): biosynthesis of cyclopropanol rings in bacterial toxins
Analyse Burg (holo) in complex with hydroxypyruvate-enol (8): biosynthesis of… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7PCI
- Type
- protein
- Length
- 345 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Ketol-acid reductoisomerase
- EC
- 1.1.1.86
- UniProt
- Q2T3G7
- Ligands
- NAD, 74I, MG
- Pockets
- 3 · best druggability 0.64
Structure
x-ray diffraction · 1 distinct chain · 55% helix, 11% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Ketol-acid reductoisomerase (EC 1.1.1.86) | protein | 345 | 55% helix, 11% strand | Q2T3G7 |
Ligands and binding sites
- NAD · Nicotinamide-adenine-dinucleotide · ligand · chains A
- 74I · (Z)-2,3-bis(oxidanyl)prop-2-enoic acid · ligand · chains A
- MG · Magnesium ion · metal · 2 copies · chains A
- IMD · Imidazole · 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 | 536 | 0.64 | 0.76 | 45 | NAD, MG, 74I, IMD |
| 2 | 212 | 0.46 | 0.73 | 22 | empty |
| 3 | 52 | 0.25 | 0.72 | 10 | empty |
Compared structures
- 7PCI · BurG (holo) in complex with hydroxypyruvate-enol (8): Biosynthesis of cyclopropanol rings… · 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 Q2T3G7
- Elsewhere: RCSB PDB 7PCI · PDBe 7PCI · UniProt Q2T3G7
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.