4U3D
LpxC from A.Aaeolicus in complex with 4-[[4-[2-[4-(morpholinomethyl)phenyl]ethynyl]phenoxy]methyl]tetrahydropyran-4-carbohydroxamic acid (compound 9)
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A | UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase | polymer | 271 | 30989.5 | 1 | UniProt (O67648) Pfam (PF03331) In PDB | Aquifex aeolicus | UDP-3-O-acyl-GlcNAc deacetylase |
| 2 | A | IMIDAZOLE | non-polymer | 69.1 | 1 | Chemie (IMD) | |||
| 3 | A | ZINC ION | non-polymer | 65.4 | 2 | Chemie (ZN) | |||
| 4 | A | CHLORIDE ION | non-polymer | 35.5 | 1 | Chemie (CL) | |||
| 5 | A | N-hydroxy-4-[(4-{[4-(morpholin-4-ylmethyl)phenyl]ethynyl}phenoxy)methyl]tetrahydro-2H-pyran-4-carboxamide | non-polymer | 450.5 | 1 | Chemie (3BX) | |||
| 6 | water | water | 18.0 | 377 | Chemie (HOH) |
Sequence modifications
A: 1 - 271 (UniProt: O67648)
| PDB | External Database | Details |
|---|---|---|
| Ala 181 | Cys 181 | conflict |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 30989.5 | |
| Non-Polymers* | Number of molecules | 5 |
| Total formula weight | 685.9 | |
| All* | Total formula weight | 31675.4 |
