4FW5
Crystal Structure of the LpxC in complex with 4'-BROMO-N-[(2S,3R)-3-HYDROXY-1-(HYDROXYAMINO)-1-OXOBUTAN-2-YL]BIPHENYL-4-CARBOXAMIDE inhibitor
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0003824 | molecular_function | catalytic activity |
| A | 0005737 | cellular_component | cytoplasm |
| A | 0006629 | biological_process | lipid metabolic process |
| A | 0009245 | biological_process | lipid A biosynthetic process |
| A | 0016020 | cellular_component | membrane |
| A | 0016787 | molecular_function | hydrolase activity |
| A | 0046872 | molecular_function | metal ion binding |
| A | 0103117 | molecular_function | UDP-3-O-acyl-N-acetylglucosamine deacetylase activity |
| B | 0003824 | molecular_function | catalytic activity |
| B | 0005737 | cellular_component | cytoplasm |
| B | 0006629 | biological_process | lipid metabolic process |
| B | 0009245 | biological_process | lipid A biosynthetic process |
| B | 0016020 | cellular_component | membrane |
| B | 0016787 | molecular_function | hydrolase activity |
| B | 0046872 | molecular_function | metal ion binding |
| B | 0103117 | molecular_function | UDP-3-O-acyl-N-acetylglucosamine deacetylase activity |
| C | 0003824 | molecular_function | catalytic activity |
| C | 0005737 | cellular_component | cytoplasm |
| C | 0006629 | biological_process | lipid metabolic process |
| C | 0009245 | biological_process | lipid A biosynthetic process |
| C | 0016020 | cellular_component | membrane |
| C | 0016787 | molecular_function | hydrolase activity |
| C | 0046872 | molecular_function | metal ion binding |
| C | 0103117 | molecular_function | UDP-3-O-acyl-N-acetylglucosamine deacetylase activity |
| D | 0003824 | molecular_function | catalytic activity |
| D | 0005737 | cellular_component | cytoplasm |
| D | 0006629 | biological_process | lipid metabolic process |
| D | 0009245 | biological_process | lipid A biosynthetic process |
| D | 0016020 | cellular_component | membrane |
| D | 0016787 | molecular_function | hydrolase activity |
| D | 0046872 | molecular_function | metal ion binding |
| D | 0103117 | molecular_function | UDP-3-O-acyl-N-acetylglucosamine deacetylase activity |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE ZN A 301 |
| Chain | Residue |
| A | HIS78 |
| A | HIS237 |
| A | ASP241 |
| A | L58302 |
| site_id | AC2 |
| Number of Residues | 16 |
| Details | BINDING SITE FOR RESIDUE L58 A 302 |
| Chain | Residue |
| A | ILE197 |
| A | ARG201 |
| A | GLY209 |
| A | SER210 |
| A | ALA214 |
| A | HIS237 |
| A | LYS238 |
| A | ASP241 |
| A | HIS264 |
| A | ZN301 |
| A | HOH452 |
| A | MET62 |
| A | GLU77 |
| A | HIS78 |
| A | THR190 |
| A | PHE191 |
| site_id | AC3 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE ACT A 303 |
| Chain | Residue |
| A | ARG143 |
| A | ARG258 |
| A | GLY259 |
| A | PHE260 |
| A | HOH536 |
| site_id | AC4 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE GOL A 304 |
| Chain | Residue |
| A | PHE152 |
| A | ILE243 |
| A | LEU246 |
| A | TYR247 |
| A | SER252 |
| A | LEU253 |
| A | HOH479 |
| A | HOH500 |
| A | HOH520 |
| site_id | AC5 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE ZN B 301 |
| Chain | Residue |
| B | HIS78 |
| B | HIS237 |
| B | ASP241 |
| B | L58302 |
| site_id | AC6 |
| Number of Residues | 14 |
| Details | BINDING SITE FOR RESIDUE L58 B 302 |
| Chain | Residue |
| B | MET62 |
| B | GLU77 |
| B | HIS78 |
| B | THR190 |
| B | PHE191 |
| B | ILE197 |
| B | GLY209 |
| B | ALA214 |
| B | VAL216 |
| B | HIS237 |
| B | LYS238 |
| B | ASP241 |
| B | HIS264 |
| B | ZN301 |
| site_id | AC7 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE ACT B 303 |
| Chain | Residue |
| B | ARG143 |
| B | ARG258 |
| B | PHE260 |
| B | HOH539 |
| site_id | AC8 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE ACT B 304 |
| Chain | Residue |
| B | SER40 |
| B | GLU49 |
| B | TYR92 |
| B | GLU94 |
| site_id | AC9 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE ACT B 305 |
| Chain | Residue |
| B | GLY85 |
| B | PHE176 |
| B | SER295 |
| B | HOH458 |
| site_id | BC1 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE GOL B 306 |
| Chain | Residue |
| B | PHE152 |
| B | ILE243 |
| B | LEU246 |
| B | TYR247 |
| B | SER252 |
| B | LEU253 |
| B | HOH424 |
| site_id | BC2 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE ZN C 301 |
| Chain | Residue |
| C | HIS78 |
| C | HIS237 |
| C | ASP241 |
| C | L58302 |
| site_id | BC3 |
| Number of Residues | 15 |
| Details | BINDING SITE FOR RESIDUE L58 C 302 |
| Chain | Residue |
| C | MET62 |
| C | GLU77 |
| C | HIS78 |
| C | THR190 |
| C | PHE191 |
| C | GLY192 |
| C | GLY209 |
| C | SER210 |
| C | ALA214 |
| C | VAL216 |
| C | HIS237 |
| C | LYS238 |
| C | ASP241 |
| C | HIS264 |
| C | ZN301 |
| site_id | BC4 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE ACT C 303 |
| Chain | Residue |
| C | PRO46 |
| C | VAL47 |
| C | HOH454 |
| site_id | BC5 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE GOL C 304 |
| Chain | Residue |
| C | HOH426 |
| C | HOH453 |
| C | HOH467 |
| C | PHE152 |
| C | ILE243 |
| C | LEU246 |
| C | TYR247 |
| C | SER252 |
| C | LEU253 |
| site_id | BC6 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE ZN D 301 |
| Chain | Residue |
| D | HIS78 |
| D | HIS237 |
| D | ASP241 |
| D | L58302 |
| site_id | BC7 |
| Number of Residues | 14 |
| Details | BINDING SITE FOR RESIDUE L58 D 302 |
| Chain | Residue |
| D | MET62 |
| D | GLU77 |
| D | HIS78 |
| D | THR190 |
| D | PHE191 |
| D | MET194 |
| D | GLY209 |
| D | SER210 |
| D | VAL216 |
| D | HIS237 |
| D | LYS238 |
| D | ASP241 |
| D | HIS264 |
| D | ZN301 |
| site_id | BC8 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE GOL D 303 |
| Chain | Residue |
| D | PHE152 |
| D | ILE243 |
| D | LEU246 |
| D | TYR247 |
| D | SER252 |
| D | LEU253 |
| D | HOH488 |
| D | HOH496 |
| D | HOH511 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 4 |
| Details | Active site: {"description":"Proton donor","evidences":[{"source":"HAMAP-Rule","id":"MF_00388","evidenceCode":"ECO:0000255"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 12 |
| Details | Binding site: {"evidences":[{"source":"HAMAP-Rule","id":"MF_00388","evidenceCode":"ECO:0000255"}]} |
| Chain | Residue | Details |
