Research workbench
Cyclodextrin glycosyltransferase W616A mutant from bacillus circulans strain 251
Analyse Cyclodextrin glycosyltransferase W616A mutant from bacillus circulans strain 251 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1TCM
- Type
- protein
- Length
- 1,372 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cyclodextrin glycosyltransferase
- EC
- 2.4.1.19
- UniProt
- P43379
- Ligands
- CA
- Pockets
- 10 · best druggability 0.78
Structure
x-ray diffraction · 1 distinct chain · 21% helix, 29% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Cyclodextrin glycosyltransferase (EC 2.4.1.19) | protein | 686 | 21% helix, 29% strand | P43379 |
Ligands and binding sites
- CA · Calcium ion · metal · 4 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 393 | 0.78 | 0.87 | 65 | empty |
| 2 | 418 | 0.77 | 0.86 | 52 | empty |
| 3 | 363 | 0.63 | 0.78 | 33 | empty |
| 4 | 357 | 0.62 | 0.78 | 34 | empty |
| 5 | 338 | 0.55 | 0.75 | 33 | empty |
Interfaces
1 interface between chains.
- A–B · 580 Ų buried · 7 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 1TCM · Cyclodextrin glycosyltransferase W616A mutant from bacillus circulans strain 251 · the same entry in another collection · chain A against A, TM-score 1.00
- P43379 · AlphaFold monomer V2.0 prediction for cyclomaltodextrin glucanotransferase (P43379) · 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 P43379
- Elsewhere: RCSB PDB 1TCM · PDBe 1TCM · UniProt P43379
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