Research workbench
The structure of gfsa ksq-at didomain in complex with a malonate substrate analog
Analyse The structure of gfsa ksq-at didomain in complex with a malonate substrate… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7VEF
- Type
- protein
- Length
- 828 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Polyketide synthase
- Ligands
- 6IU
- Pockets
- 9 · best druggability 0.71
Structure
x-ray diffraction · 1 distinct chain · 43% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Polyketide synthase | protein | 828 | 43% helix, 20% strand | — |
Ligands and binding sites
- 6IU · N-(2-acetamidoethyl)-2-nitro-ethanamide · ligand · chains A
- GOL · Glycerol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 56 | 0.71 | 0.98 | 18 | empty |
| 2 | 451 | 0.69 | 0.80 | 48 | empty |
| 3 | 297 | 0.67 | 0.83 | 43 | 6IU |
| 4 | 206 | 0.63 | 0.83 | 33 | empty |
| 5 | 79 | 0.48 | 0.83 | 21 | empty |
Compared structures
- 7VEF · The structure of GfsA KSQ-AT didomain in complex with a malonate substrate analog · 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
- Elsewhere: RCSB PDB 7VEF · PDBe 7VEF
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.