MolNFT v1 · #140056 · protein
Structure of 6-aminohexanoate-oligomer hydrolase from arthrobacter sp. KI72., D122G mutant
5XYO · Endo-type 6-aminohexanoate oligomer hydrolase: “Structure of 6-aminohexanoate-oligomer hydrolase from arthrobacter sp. KI72., D122G mutant”. X-ray diffraction, 2 ligands (SO4, CL), 3 pockets (best druggability 0.75). MolNFT v1…
- PDB
- 5XYO
- Type
- protein
- Length
- 663 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Endo-type 6-aminohexanoate oligomer hydrolase
- UniProt
- Q57326
- Ligands
- SO4, CL
- Pockets
- 3 · best druggability 0.75
Structure
x-ray diffraction · 2 distinct chains · 25% helix, 32% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Endo-type 6-aminohexanoate oligomer hydrolase | protein | 332 | 25% helix, 33% strand | Q57326 |
| B | Endo-type 6-aminohexanoate oligomer hydrolase | protein | 331 | 25% helix, 32% strand | Q57326 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 2 copies · chains A, B
- CL · Chloride ion · ion · 2 copies · chains A, B
- GOL · Glycerol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 73 | 0.75 | 0.99 | 29 | empty |
| 2 | 731 | 0.70 | 0.77 | 83 | empty |
| 3 | 50 | 0.31 | 0.76 | 14 | empty |
Interfaces
1 interface between chains.
- A–B · 1384 Ų buried · 12 hydrogen bonds · protein-protein
Compared structures
- 5XYO · Structure of 6-aminohexanoate-oligomer hydrolase from Arthrobacter sp. KI72., D122G mutant · 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 Q57326
- Elsewhere: RCSB PDB 5XYO · PDBe 5XYO · UniProt Q57326
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