Research workbench
The crystal structure of encm complexed with dioxygen under 15 bar of oxygen pressure.
Analyse The crystal structure of encm complexed with dioxygen under 15 bar of oxygen… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6FOQ
- Type
- protein
- Length
- 1,832 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative FAD-dependent oxygenase encm
- UniProt
- Q9KHK2
- Ligands
- FAD, OXY
- Pockets
- 12 · best druggability 0.89
Structure
x-ray diffraction · 1 distinct chain · 35% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Putative FAD-dependent oxygenase encm | protein | 458 | 35% helix, 24% strand | Q9KHK2 |
Ligands and binding sites
- FAD · Flavin-adenine dinucleotide · ligand · 4 copies · chains A, B, C, D
- OXY · Oxygen molecule · ion · 8 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
12 pockets found on a 1 Å grid, 11 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 667 | 0.89 | 0.93 | 89 | FAD, OXY |
| 2 | 713 | 0.88 | 0.92 | 99 | FAD, OXY |
| 3 | 716 | 0.88 | 0.92 | 103 | FAD, OXY |
| 4 | 672 | 0.88 | 0.92 | 98 | FAD, OXY |
| 5 | 307 | 0.78 | 0.89 | 40 | empty |
Interfaces
4 interfaces between chains.
- A–B · 2157 Ų buried · 22 hydrogen bonds · protein-protein
- C–D · 2135 Ų buried · 26 hydrogen bonds · protein-protein
- A–D · 486 Ų buried · 5 hydrogen bonds · protein-protein
- B–D · 119 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 6FOQ · The crystal structure of EncM complexed with dioxygen under 15 bar of oxygen pressure. · 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 Q9KHK2
- Elsewhere: RCSB PDB 6FOQ · PDBe 6FOQ · UniProt Q9KHK2
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