MolNFT v1 · #115345 · protein
Maltotriose complex of preconditioned cyclodextrin glycosyltransferase mutant
5CGT: “Maltotriose complex of preconditioned cyclodextrin glycosyltransferase mutant”. X-ray diffraction, 3 ligands (GLC, BGC, CA), 4 pockets (best druggability 0.77). MolNFT v1 #115345 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 5CGT
- Type
- protein
- Length
- 684 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cyclodextrin glycosyltransferase
- EC
- 2.4.1.19
- UniProt
- P30920
- Ligands
- GLC, BGC, CA
- Pockets
- 4 · best druggability 0.77
Structure
x-ray diffraction · 1 distinct chain · 23% helix, 31% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cyclodextrin glycosyltransferase (EC 2.4.1.19) | protein | 684 | 23% helix, 31% strand | P30920 |
Ligands and binding sites
- GLC · alpha-D-glucopyranose · sugar · 3 copies · chains A
- BGC · beta-D-glucopyranose · sugar · 2 copies · chains A
- CA · Calcium ion · metal · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 448 | 0.77 | 0.86 | 67 | empty |
| 2 | 299 | 0.62 | 0.79 | 29 | BGC, GLC |
| 3 | 147 | 0.41 | 0.74 | 24 | empty |
| 4 | 58 | 0.29 | 0.75 | 18 | empty |
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
- P30920 · AlphaFold monomer V2.0 prediction for cyclomaltodextrin glucanotransferase (P30920) · a predicted model of the same protein · 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 P30920
- Elsewhere: RCSB PDB 5CGT · PDBe 5CGT · UniProt P30920
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.