Research workbench
Structure of oleate hydratase from elizabethkingia meningoseptica
Analyse Structure of oleate hydratase from elizabethkingia meningoseptica in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4UIR
- Type
- protein
- Length
- 1,275 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Oleate hydratase
- EC
- 4.2.1.53
- UniProt
- C7DLJ6
- Ligands
- FAD, NA, PO4
- Pockets
- 17 · best druggability 0.87
Structure
x-ray diffraction · 2 distinct chains · 34% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Oleate hydratase (EC 4.2.1.53) | protein | 641 | 33% helix, 16% strand | C7DLJ6 |
| B | Oleate hydratase (EC 4.2.1.53) | protein | 634 | 34% helix, 16% strand | C7DLJ6 |
Ligands and binding sites
- FAD · Flavin-adenine dinucleotide · ligand · chains A
- NA · Sodium ion · metal · 2 copies · chains A, B
- PO4 · Phosphate ion · ion · chains B
- P6G · Hexaethylene glycol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
17 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 735 | 0.87 | 0.91 | 81 | empty |
| 2 | 554 | 0.87 | 0.92 | 83 | FAD, P6G |
| 3 | 1196 | 0.85 | 0.85 | 82 | PO4 |
| 4 | 125 | 0.79 | 0.97 | 32 | empty |
| 5 | 101 | 0.51 | 0.82 | 26 | NA |
Interfaces
1 interface between chains.
- A–B · 5409 Ų buried · 80 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 C7DLJ6
- Elsewhere: RCSB PDB 4UIR · PDBe 4UIR · UniProt C7DLJ6
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