Research workbench
Structure of a putative oxidoreductase from rickettsia felis
Analyse Structure of a putative oxidoreductase from rickettsia felis in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4L82
- Type
- protein
- Length
- 635 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- RIFEA.00250.A
- EC
- 1.-.-.-
- UniProt
- Q4UKE8
- Ligands
- FMN, CL, SCN
- Pockets
- 4 · best druggability 0.79
Structure
x-ray diffraction · 2 distinct chains · 14% helix, 46% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C, D | RIFEA.00250.A (EC 1.-.-.-) | protein | 156 | 14% helix, 47% strand | Q4UKE8 |
| B | RIFEA.00250.A (EC 1.-.-.-) | protein | 167 | 13% helix, 44% strand | Q4UKE8 |
Ligands and binding sites
- FMN · Flavin mononucleotide · ligand · 2 copies · chains A, B
- CL · Chloride ion · ion · 4 copies · chains A, B, C, D
- SCN · Thiocyanate ion · ion · 3 copies · chains B, C, D
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 | 1061 | 0.79 | 0.81 | 79 | empty |
| 2 | 523 | 0.67 | 0.78 | 45 | FMN, CL |
| 3 | 534 | 0.66 | 0.77 | 44 | CL |
| 4 | 462 | 0.64 | 0.77 | 40 | CL, FMN |
Interfaces
4 interfaces between chains.
- A–B · 2798 Ų buried · 30 hydrogen bonds · protein-protein
- C–D · 2403 Ų buried · 19 hydrogen bonds · protein-protein
- B–D · 137 Ų buried · 1 hydrogen bond · protein-protein
- A–D · 126 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 4L82 · Structure of a putative oxidoreductase from Rickettsia felis · 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 Q4UKE8
- Elsewhere: RCSB PDB 4L82 · PDBe 4L82 · UniProt Q4UKE8
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