MolNFT v1 · #98605 · protein
The crystal structure of pyocin L1 bound to D-mannose at 2.55 ångströms
4LEA: “The crystal structure of pyocin L1 bound to D-mannose at 2.55 ångströms”. X-ray diffraction, 1 ligand (BMA), 3 pockets (best druggability 0.68). MolNFT v1 #98605 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4LEA
- Type
- protein
- Length
- 508 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Pyocin L1
- Ligands
- BMA
- Pockets
- 3 · best druggability 0.68
Structure
x-ray diffraction · 1 distinct chain · 1% helix, 41% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Pyocin L1 | protein | 254 | 1% helix, 41% strand | — |
Ligands and binding sites
- BMA · beta-D-mannopyranose · sugar · 9 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 318 | 0.68 | 0.82 | 37 | BMA |
| 2 | 403 | 0.64 | 0.78 | 47 | empty |
| 3 | 359 | 0.62 | 0.77 | 33 | empty |
Interfaces
1 interface between chains.
- A–B · 494 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 4LEA · The Crystal Structure of Pyocin L1 bound to D-mannose at 2.55 Angstroms · 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 4LEA · PDBe 4LEA
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