4FW4
Crystal Structure of the LpxC in complex with N-[(1S,2R)-2-HYDROXY-1-(HYDROXYCARBAMOYL)PROPYL]-4-(4-PHENYLBUTA-1,3-DIYN-1-YL)BENZAMIDE inhibitor
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0006796 | biological_process | phosphate-containing compound metabolic process |
| A | 0008759 | molecular_function | UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase activity |
| A | 0009245 | biological_process | lipid A biosynthetic process |
| A | 0016787 | molecular_function | hydrolase activity |
| A | 0019637 | biological_process | organophosphate metabolic process |
| A | 0046872 | molecular_function | metal ion binding |
| A | 0103117 | molecular_function | UDP-3-O-acyl-N-acetylglucosamine deacetylase activity |
| A | 1901135 | biological_process | carbohydrate derivative metabolic process |
| B | 0006796 | biological_process | phosphate-containing compound metabolic process |
| B | 0008759 | molecular_function | UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase activity |
| B | 0009245 | biological_process | lipid A biosynthetic process |
| B | 0016787 | molecular_function | hydrolase activity |
| B | 0019637 | biological_process | organophosphate metabolic process |
| B | 0046872 | molecular_function | metal ion binding |
| B | 0103117 | molecular_function | UDP-3-O-acyl-N-acetylglucosamine deacetylase activity |
| B | 1901135 | biological_process | carbohydrate derivative metabolic process |
| C | 0006796 | biological_process | phosphate-containing compound metabolic process |
| C | 0008759 | molecular_function | UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase activity |
| C | 0009245 | biological_process | lipid A biosynthetic process |
| C | 0016787 | molecular_function | hydrolase activity |
| C | 0019637 | biological_process | organophosphate metabolic process |
| C | 0046872 | molecular_function | metal ion binding |
| C | 0103117 | molecular_function | UDP-3-O-acyl-N-acetylglucosamine deacetylase activity |
| C | 1901135 | biological_process | carbohydrate derivative metabolic process |
| D | 0006796 | biological_process | phosphate-containing compound metabolic process |
| D | 0008759 | molecular_function | UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase activity |
| D | 0009245 | biological_process | lipid A biosynthetic process |
| D | 0016787 | molecular_function | hydrolase activity |
| D | 0019637 | biological_process | organophosphate metabolic process |
| D | 0046872 | molecular_function | metal ion binding |
| D | 0103117 | molecular_function | UDP-3-O-acyl-N-acetylglucosamine deacetylase activity |
| D | 1901135 | biological_process | carbohydrate derivative metabolic process |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE ZN A 300 |
| Chain | Residue |
| A | HIS78 |
| A | HIS237 |
| A | ASP241 |
| A | 3P3301 |
| site_id | AC2 |
| Number of Residues | 14 |
| Details | BINDING SITE FOR RESIDUE 3P3 A 301 |
| Chain | Residue |
| A | ILE197 |
| A | GLY209 |
| A | SER210 |
| A | HIS237 |
| A | LYS238 |
| A | ASP241 |
| A | HIS264 |
| A | ZN300 |
| A | HOH448 |
| A | MET62 |
| A | GLU77 |
| A | HIS78 |
| A | THR190 |
| A | PHE191 |
| site_id | AC3 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE ZN B 301 |
| Chain | Residue |
| B | HIS78 |
| B | HIS237 |
| B | ASP241 |
| B | 3P3302 |
| site_id | AC4 |
| Number of Residues | 14 |
| Details | BINDING SITE FOR RESIDUE 3P3 B 302 |
| Chain | Residue |
| B | MET62 |
| B | GLU77 |
| B | HIS78 |
| B | THR190 |
| B | PHE191 |
| B | ILE197 |
| B | GLY209 |
| B | SER210 |
| B | HIS237 |
| B | LYS238 |
| B | ASP241 |
| B | HIS264 |
| B | ZN301 |
| B | HOH454 |
| site_id | AC5 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE GOL B 303 |
| Chain | Residue |
| B | ALA84 |
| B | PHE152 |
| B | ILE243 |
| B | LEU246 |
| B | TYR247 |
| B | SER252 |
| B | LEU253 |
| B | HOH409 |
| B | HOH499 |
| site_id | AC6 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE ZN C 301 |
| Chain | Residue |
| C | HIS78 |
| C | HIS237 |
| C | ASP241 |
| C | 3P3302 |
| site_id | AC7 |
| Number of Residues | 14 |
| Details | BINDING SITE FOR RESIDUE 3P3 C 302 |
| Chain | Residue |
| C | MET62 |
| C | GLU77 |
| C | HIS78 |
| C | THR190 |
| C | PHE191 |
| C | ILE197 |
| C | ARG201 |
| C | GLY209 |
| C | SER210 |
| C | HIS237 |
| C | ASP241 |
| C | HIS264 |
| C | ZN301 |
| C | HOH450 |
| site_id | AC8 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE GOL C 303 |
| Chain | Residue |
| C | ALA84 |
| C | PHE152 |
| C | ILE243 |
| C | LEU246 |
| C | TYR247 |
| C | SER252 |
| C | LEU253 |
| C | TYR296 |
| C | HOH408 |
| site_id | AC9 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE ACT C 304 |
| Chain | Residue |
| C | LYS29 |
| C | SER40 |
| C | GLU49 |
| C | GLU94 |
| site_id | BC1 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE ZN D 301 |
| Chain | Residue |
| D | HIS78 |
| D | HIS237 |
| D | ASP241 |
| D | 3P3302 |
| site_id | BC2 |
| Number of Residues | 13 |
| Details | BINDING SITE FOR RESIDUE 3P3 D 302 |
| Chain | Residue |
| D | MET62 |
| D | GLU77 |
| D | HIS78 |
| D | THR190 |
| D | PHE191 |
| D | ILE197 |
| D | ARG201 |
| D | GLY209 |
| D | SER210 |
| D | HIS237 |
| D | ASP241 |
| D | HIS264 |
| D | ZN301 |
| site_id | BC3 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE GOL D 303 |
| Chain | Residue |
| D | HOH461 |
| D | HOH465 |
| D | PHE152 |
| D | ILE243 |
| D | LEU246 |
| D | TYR247 |
| D | SER252 |
| D | LEU253 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 4 |
| Details | ACT_SITE: Proton donor => ECO:0000255|HAMAP-Rule:MF_00388 |
| Chain | Residue | Details |
| A | HIS264 | |
| B | HIS264 | |
| C | HIS264 | |
| D | HIS264 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 12 |
| Details | BINDING: BINDING => ECO:0000255|HAMAP-Rule:MF_00388 |
| Chain | Residue | Details |
| C | ASP241 | |
| D | HIS78 | |
| D | HIS237 | |
| D | ASP241 | |
| A | HIS78 | |
| A | HIS237 | |
| A | ASP241 | |
| B | HIS78 | |
| B | HIS237 | |
| B | ASP241 | |
| C | HIS78 | |
| C | HIS237 |
