MolNFT v1 · #93954 · protein
Crystal structure of rhodobacter sphaeroides lov protein
4HIA: “Crystal structure of rhodobacter sphaeroides lov protein”. X-ray diffraction, 2 ligands (FMN, SO4), 4 pockets (best druggability 0.75). MolNFT v1 #93954 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4HIA
- Type
- protein
- Length
- 352 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Lov protein
- Ligands
- FMN, SO4
- Pockets
- 4 · best druggability 0.75
Structure
x-ray diffraction · 1 distinct chain · 49% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Lov protein | protein | 176 | 49% helix, 22% strand | — |
Ligands and binding sites
- FMN · Flavin mononucleotide · ligand · 2 copies · chains A, B
- SO4 · Sulfate ion · ion · 4 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 186 | 0.75 | 0.91 | 24 | FMN |
| 2 | 179 | 0.74 | 0.90 | 23 | FMN |
| 3 | 280 | 0.66 | 0.83 | 55 | SO4 |
| 4 | 152 | 0.58 | 0.83 | 27 | empty |
Interfaces
1 interface between chains.
- A–B · 885 Ų buried · 8 hydrogen bonds · protein-protein
Compared structures
- 4HIA · Crystal Structure of Rhodobacter Sphaeroides LOV protein · 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 4HIA · PDBe 4HIA
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