Research workbench
Crystal structure of CALG3, calicheamicin glycostyltransferase, tdp and calicheamicin T0 bound form
Analyse Crystal structure of CALG3, calicheamicin glycostyltransferase, tdp and… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3OTI
- Type
- protein
- Length
- 758 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- CALG3
- UniProt
- Q8KND7
- Ligands
- TYD, C0T, CL
- Pockets
- 9 · best druggability 0.85
Structure
x-ray diffraction · 1 distinct chain · 46% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | CALG3 | protein | 379 | 46% helix, 14% strand | Q8KND7 |
Ligands and binding sites
- TYD · Thymidine-5'-diphosphate · ligand · 2 copies · chains A, B
- C0T · Calicheamicin T0 · ligand · 2 copies · chains A, B
- CL · Chloride ion · ion · 2 copies · chains A, B
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 | 688 | 0.85 | 0.89 | 80 | TYD, C0T, CL |
| 2 | 625 | 0.84 | 0.89 | 67 | TYD, C0T, CL |
| 3 | 447 | 0.66 | 0.78 | 59 | empty |
| 4 | 274 | 0.62 | 0.80 | 44 | empty |
| 5 | 86 | 0.39 | 0.77 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 1740 Ų buried · 23 hydrogen bonds · protein-protein
Compared structures
- 3OTI · Crystal Structure of CalG3, Calicheamicin Glycostyltransferase, TDP and calicheamicin T0… · 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 Q8KND7
- Elsewhere: RCSB PDB 3OTI · PDBe 3OTI · UniProt Q8KND7
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