4U3B
LpxC from A.Aaeolicus in complex with the MMP inhibitor 4-[[4-(4-chlorophenoxy)phenyl]sulfanylmethyl]tetrahydropyran-4-carbohydroxamic acid - compound 2
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase | polymer | 271 | 30989.5 | 1 | UniProt (O67648) Pfam (PF03331) | Aquifex aeolicus | UDP-3-O-acyl-GlcNAc deacetylase |
| 2 | B (A) | IMIDAZOLE | non-polymer | 69.1 | 1 | Chemie (IMD) | |||
| 3 | C, D (A) | ZINC ION | non-polymer | 65.4 | 2 | Chemie (ZN) | |||
| 4 | E, F (A) | CHLORIDE ION | non-polymer | 35.5 | 2 | Chemie (CL) | |||
| 5 | G (A) | 4-({[4-(4-chlorophenoxy)phenyl]sulfanyl}methyl)-N-hydroxytetrahydro-2H-pyran-4-carboxamide | non-polymer | 393.9 | 1 | Chemie (3BW) | |||
| 6 | H (A) | water | water | 18.0 | 334 | 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 | 6 |
| Total formula weight | 664.7 | |
| All* | Total formula weight | 31654.2 |
