4FW6
Crystal Structure of the LpxC in complex with N-[(2S,3R)-3-HYDROXY-1-(HYDROXYAMINO)-1-OXOBUTAN-2-YL]-4-(PHENYLETHYNYL)BENZAMIDE inhibitor
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B, C, D (A, B, C, D) | UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase | polymer | 302 | 33418.9 | 4 | UniProt (P47205) Pfam (PF03331) | Pseudomonas aeruginosa | Protein envA, UDP-3-O-acyl-GlcNAc deacetylase |
| 2 | DA, E, N, W (D, A, B, C) | ZINC ION | non-polymer | 65.4 | 4 | Chemie (ZN) | |||
| 3 | EA, F, O, X (D, A, B, C) | N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]-4-(phenylethynyl)benzamide | non-polymer | 338.4 | 4 | Chemie (L59) | |||
| 4 | AA, FA, G, GA, H... (C, D, A, B) | GLYCEROL | non-polymer | 92.1 | 9 | Chemie (GOL) | |||
| 5 | BA, CA, HA, I, IA... (C, D, A, B) | ACETATE ION | non-polymer | 59.0 | 9 | Chemie (ACT) | |||
| 6 | L, M, T, U, V (A, B) | DI(HYDROXYETHYL)ETHER | non-polymer | 106.1 | 5 | Chemie (PEG) | |||
| 7 | JA (D) | SODIUM ION | non-polymer | 23.0 | 1 | Chemie (NA) | |||
| 8 | KA, LA, MA, NA (A, B, C, D) | water | water | 18.0 | 678 | Chemie (HOH) |
Sequence modifications
A, B, C, D: 1 - 299 (UniProt: P47205)
| PDB | External Database | Details |
|---|---|---|
| Ser -2 | - | expression tag |
| Asn -1 | - | expression tag |
| Ala 0 | - | expression tag |
| Ser 40 | Cys 40 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 4 |
| Total formula weight | 133675.5 | |
| Non-Polymers* | Number of molecules | 32 |
| Total formula weight | 3528.9 | |
| All* | Total formula weight | 137204.4 |
