2VES
Crystal Structure of LpxC from Pseudomonas aeruginosa complexed with the potent BB-78485 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 |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE ZN A1295 |
| Chain | Residue |
| A | HIS78 |
| A | HIS237 |
| A | ASP241 |
| A | GVR1296 |
| site_id | AC2 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE ZN B1289 |
| Chain | Residue |
| B | HIS78 |
| B | HIS237 |
| B | ASP241 |
| B | GVR1290 |
| site_id | AC3 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE ZN C1300 |
| Chain | Residue |
| C | HIS237 |
| C | ASP241 |
| C | GVR1301 |
| C | HIS78 |
| site_id | AC4 |
| Number of Residues | 16 |
| Details | BINDING SITE FOR RESIDUE GVR A1296 |
| Chain | Residue |
| A | LEU18 |
| A | MET62 |
| A | GLU77 |
| A | HIS78 |
| A | THR190 |
| A | PHE191 |
| A | GLY192 |
| A | ILE197 |
| A | GLY209 |
| A | ASN213 |
| A | ALA214 |
| A | HIS237 |
| A | ASP241 |
| A | HIS264 |
| A | ZN1295 |
| A | HOH2412 |
| site_id | AC5 |
| Number of Residues | 16 |
| Details | BINDING SITE FOR RESIDUE GVR B1290 |
| Chain | Residue |
| B | LEU18 |
| B | MET62 |
| B | GLU77 |
| B | HIS78 |
| B | THR190 |
| B | PHE191 |
| B | GLY192 |
| B | ILE197 |
| B | GLY209 |
| B | ASN213 |
| B | ALA214 |
| B | HIS237 |
| B | ASP241 |
| B | HIS264 |
| B | ZN1289 |
| B | HOH2177 |
| site_id | AC6 |
| Number of Residues | 16 |
| Details | BINDING SITE FOR RESIDUE GVR C1301 |
| Chain | Residue |
| C | LEU18 |
| C | MET62 |
| C | GLU77 |
| C | HIS78 |
| C | THR190 |
| C | PHE191 |
| C | GLY192 |
| C | GLY209 |
| C | ASN213 |
| C | ALA214 |
| C | HIS237 |
| C | ASP241 |
| C | HIS264 |
| C | ZN1300 |
| C | HOH2161 |
| C | HOH2163 |
| site_id | AC7 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE ZN A1297 |
| Chain | Residue |
| A | ASP159 |
| A | ASP161 |
| B | HIS162 |
| B | GLU219 |
| site_id | AC8 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE ZN B1291 |
| Chain | Residue |
| B | ASP159 |
| B | ASP161 |
| C | HIS162 |
| C | GLU219 |
| site_id | AC9 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE ZN C1302 |
| Chain | Residue |
| A | HIS162 |
| A | GLU219 |
| C | ASP159 |
| C | ASP161 |
| site_id | BC1 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE ZN C1303 |
| Chain | Residue |
| A | GLN203 |
| C | GLU134 |
| C | SER136 |
| C | HOH2406 |
| C | HOH2407 |
| C | HOH2408 |
| site_id | BC2 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE SO4 B1292 |
| Chain | Residue |
| A | THR14 |
| A | HOH2061 |
| B | THR14 |
| B | HOH2038 |
| B | HOH2067 |
| B | HOH2399 |
| B | HOH2400 |
| B | HOH2402 |
| C | THR14 |
| site_id | BC3 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE SO4 C1304 |
| Chain | Residue |
| B | ARG133 |
| C | MET1 |
| C | ASP288 |
| C | ALA289 |
| C | HOH2409 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 3 |
| Details | ACT_SITE: Proton donor => ECO:0000255|HAMAP-Rule:MF_00388 |
| Chain | Residue | Details |
| A | HIS264 | |
| B | HIS264 | |
| C | HIS264 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 9 |
| Details | BINDING: BINDING => ECO:0000255|HAMAP-Rule:MF_00388 |
| Chain | Residue | Details |
| A | HIS78 | |
| A | HIS237 | |
| A | ASP241 | |
| B | HIS78 | |
| B | HIS237 | |
| B | ASP241 | |
| C | HIS78 | |
| C | HIS237 | |
| C | ASP241 |
