MolNFT v1 · #152363 · protein
Structure of beta-trefoil lectin from entamoeba histolytica
6IFA: “Structure of beta-trefoil lectin from entamoeba histolytica”. X-ray diffraction, 2 pockets (best druggability 0.48). MolNFT v1 #152363 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6IFA
- Type
- protein
- Length
- 378 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Lectin
- Pockets
- 2 · best druggability 0.48
Structure
x-ray diffraction · 1 distinct chain · 10% helix, 42% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C | Lectin | protein | 126 | 10% helix, 42% strand | — |
Ligands and binding sites
- IPA · Isopropyl alcohol · additive · 9 copies · chains A, B, C
- GOL · Glycerol · additive · 5 copies · chains A, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 123 | 0.48 | 0.79 | 20 | GOL |
| 2 | 179 | 0.45 | 0.74 | 27 | IPA |
Interfaces
2 interfaces between chains.
- A–B · 496 Ų buried · 13 hydrogen bonds · protein-protein
- B–C · 410 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 6IFA · Structure of beta-trefoil lectin from Entamoeba histolytica · 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
- Elsewhere: RCSB PDB 6IFA · PDBe 6IFA
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