MolNFT v1 · #15341 · protein
Trypanosoma rangeli sialidase in complex with dana at 1.6 a
1N1T: “Trypanosoma rangeli sialidase in complex with dana at 1.6 a”. X-ray diffraction, 2 ligands (DAN, SO4), 3 pockets (best druggability 0.59). MolNFT v1 #15341 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1N1T
- Type
- protein
- Length
- 628 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Sialidase
- EC
- 3.2.1.18
- UniProt
- O44049
- Ligands
- DAN, SO4
- Pockets
- 3 · best druggability 0.59
Structure
x-ray diffraction · 1 distinct chain · 7% helix, 48% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Sialidase (EC 3.2.1.18) | protein | 628 | 7% helix, 48% strand | O44049 |
Ligands and binding sites
- DAN · 2-deoxy-2,3-dehydro-N-acetyl-neuraminic acid · ligand · chains A
- SO4 · Sulfate ion · ion · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 250 | 0.59 | 0.79 | 34 | empty |
| 2 | 212 | 0.57 | 0.80 | 31 | DAN |
| 3 | 191 | 0.47 | 0.75 | 32 | SO4 |
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
- 1N1T · Trypanosoma rangeli sialidase in complex with DANA at 1.6 A · 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 O44049
- Elsewhere: RCSB PDB 1N1T · PDBe 1N1T · UniProt O44049
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