MolNFT v1 · #127358 · protein
PSL1A-E64 complex
5MUA · Ricin B-related lectin: “PSL1A-E64 complex”. X-ray diffraction, 3 ligands (E64, GAL, CA), 1 pocket (best druggability 0.44). MolNFT v1 #127358 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5MUA
- Type
- protein
- Length
- 544 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Ricin B-related lectin
- UniProt
- Q75WT9
- Ligands
- E64, GAL, CA
- Pockets
- 1 · best druggability 0.44
Structure
x-ray diffraction · 2 distinct chains · 20% helix, 43% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Ricin B-related lectin | protein | 269 | 20% helix, 43% strand | Q75WT9 |
| B | Ricin B-related lectin | protein | 275 | 20% helix, 43% strand | Q75WT9 |
Ligands and binding sites
- E64 · N-[N-[1-hydroxycarboxyethyl-carbonyl]leucylamino-butyl]-guanidine · ligand · 2 copies · chains A, B
- GAL · beta-D-galactopyranose · sugar · 2 copies · chains A, B
- CA · Calcium ion · metal · 4 copies · chains A, B
- DMS · Dimethyl sulfoxide · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 110 | 0.44 | 0.78 | 26 | empty |
Interfaces
1 interface between chains.
- A–B · 1504 Ų buried · 32 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 covalent (covalent ligand).
Compared structures
- 5MUA · PSL1a-E64 complex · 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 Q75WT9
- Elsewhere: RCSB PDB 5MUA · PDBe 5MUA · UniProt Q75WT9
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