MolNFT v1 · #24350 · protein
L-leucine-binding protein with phenylalanine bound
1USI · Leucine-specific binding protein: “L-leucine-binding protein with phenylalanine bound”. X-ray diffraction, 1 ligand (PHE), 5 pockets (best druggability 0.72). MolNFT v1 #24350 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 1USI
- Type
- protein
- Length
- 690 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Leucine-specific binding protein
- UniProt
- P04816
- Ligands
- PHE
- Pockets
- 5 · best druggability 0.72
Structure
x-ray diffraction · 1 distinct chain · 48% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | Leucine-specific binding protein | protein | 345 | 48% helix, 19% strand | P04816 |
Ligands and binding sites
- PHE · Phenylalanine · ligand · 2 copies · chains A, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 460 | 0.72 | 0.82 | 61 | empty |
| 2 | 497 | 0.72 | 0.82 | 63 | empty |
| 3 | 84 | 0.38 | 0.77 | 15 | empty |
| 4 | 75 | 0.38 | 0.78 | 14 | empty |
| 5 | 53 | 0.29 | 0.75 | 12 | empty |
Interfaces
1 interface between chains.
- A–C · 887 Ų buried · 17 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
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 P04816
- Elsewhere: RCSB PDB 1USI · PDBe 1USI · UniProt P04816
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