MolNFT v1 · #50128 · protein
Crystal structure of E. COLI wrba in complex with FMN
2R97 · Flavoprotein wrba: “Crystal structure of E. COLI wrba in complex with FMN”. X-ray diffraction, 1 ligand (FMN), 4 pockets (best druggability 0.65). MolNFT v1 #50128 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 2R97
- Type
- protein
- Length
- 388 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Flavoprotein wrba
- EC
- 1.6.5.2
- UniProt
- P0A8G6
- Ligands
- FMN
- Pockets
- 4 · best druggability 0.65
Structure
x-ray diffraction · 2 distinct chains · 39% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Flavoprotein wrba (EC 1.6.5.2) | protein | 197 | 39% helix, 17% strand | P0A8G6 |
| C | Flavoprotein wrba (EC 1.6.5.2) | protein | 191 | 38% helix, 17% strand | P0A8G6 |
Ligands and binding sites
- FMN · Flavin mononucleotide · ligand · 2 copies · chains A, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 382 | 0.65 | 0.79 | 40 | FMN |
| 2 | 366 | 0.63 | 0.78 | 38 | FMN |
| 3 | 61 | 0.32 | 0.76 | 13 | empty |
| 4 | 60 | 0.31 | 0.75 | 14 | empty |
Interfaces
1 interface between chains.
- A–C · 969 Ų buried · 14 hydrogen bonds · protein-protein
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 P0A8G6
- Elsewhere: RCSB PDB 2R97 · PDBe 2R97 · UniProt P0A8G6
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.