Research workbench
Triclinic form of trypanosoma cruzi trans-sialidase, in complex with lactose
Analyse Triclinic form of trypanosoma cruzi trans-sialidase, in complex with lactose in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1MS9
- Type
- protein
- Length
- 1,245 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Trans-sialidase
- EC
- 3.2.1.18
- UniProt
- Q26964
- Ligands
- BGC, GAL
- Pockets
- 7 · best druggability 0.58
Structure
x-ray diffraction · 2 distinct chains · 7% helix, 47% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Trans-sialidase (EC 3.2.1.18) | protein | 622 | 8% helix, 47% strand | Q26964 |
| B | Trans-sialidase (EC 3.2.1.18) | protein | 623 | 7% helix, 47% strand | Q26964 |
Ligands and binding sites
- BGC · beta-D-glucopyranose · sugar · 2 copies · chains A, B
- GAL · beta-D-galactopyranose · sugar · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 257 | 0.58 | 0.78 | 33 | empty |
| 2 | 284 | 0.57 | 0.77 | 33 | empty |
| 3 | 195 | 0.55 | 0.79 | 34 | GAL |
| 4 | 197 | 0.55 | 0.79 | 33 | GAL |
| 5 | 60 | 0.29 | 0.74 | 13 | empty |
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 1MS9 · Triclinic form of Trypanosoma cruzi trans-sialidase, in complex with lactose · 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 Q26964
- Elsewhere: RCSB PDB 1MS9 · PDBe 1MS9 · UniProt Q26964
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