4U3B
LpxC from A.Aaeolicus in complex with the MMP inhibitor 4-[[4-(4-chlorophenoxy)phenyl]sulfanylmethyl]tetrahydropyran-4-carbohydroxamic acid - compound 2
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 | 0006796 | biological_process | phosphate-containing compound metabolic process |
| A | 0009245 | biological_process | lipid A biosynthetic process |
| A | 0016020 | cellular_component | membrane |
| 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 |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 6 |
| Details | binding site for residue IMD A 301 |
| Chain | Residue |
| A | ASN57 |
| A | HIS58 |
| A | PHE158 |
| A | HIS188 |
| A | ZN303 |
| A | CL304 |
| site_id | AC2 |
| Number of Residues | 4 |
| Details | binding site for residue ZN A 302 |
| Chain | Residue |
| A | 3BW306 |
| A | HIS74 |
| A | HIS226 |
| A | ASP230 |
| site_id | AC3 |
| Number of Residues | 4 |
| Details | binding site for residue ZN A 303 |
| Chain | Residue |
| A | HIS58 |
| A | HIS188 |
| A | IMD301 |
| A | CL304 |
| site_id | AC4 |
| Number of Residues | 7 |
| Details | binding site for residue CL A 304 |
| Chain | Residue |
| A | ASN57 |
| A | HIS58 |
| A | PHE158 |
| A | HIS188 |
| A | IMD301 |
| A | ZN303 |
| A | HOH479 |
| site_id | AC5 |
| Number of Residues | 3 |
| Details | binding site for residue CL A 305 |
| Chain | Residue |
| A | HIS58 |
| A | HIS253 |
| A | HOH587 |
| site_id | AC6 |
| Number of Residues | 16 |
| Details | binding site for residue 3BW A 306 |
| Chain | Residue |
| A | ILE18 |
| A | HIS19 |
| A | HIS58 |
| A | GLU73 |
| A | HIS74 |
| A | THR179 |
| A | PHE180 |
| A | ILE189 |
| A | GLY195 |
| A | GLY198 |
| A | THR203 |
| A | HIS226 |
| A | LYS227 |
| A | ASP230 |
| A | HIS253 |
| A | ZN302 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 1 |
| Details | ACT_SITE: Proton donor => ECO:0000255|HAMAP-Rule:MF_00388, ECO:0000305|PubMed:15705580 |
| Chain | Residue | Details |
| A | HIS253 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 3 |
| Details | BINDING: BINDING => ECO:0000255|HAMAP-Rule:MF_00388, ECO:0000269|PubMed:12819349, ECO:0000269|PubMed:15705580, ECO:0007744|PDB:1P42, ECO:0007744|PDB:1YH8, ECO:0007744|PDB:1YHC |
| Chain | Residue | Details |
| A | HIS74 | |
| A | HIS226 | |
| A | ASP230 |
