3DOY
Crystal structure of (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase (FabZ) from Helicobacter pylori in complex with compound 3i
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0005737 | cellular_component | cytoplasm |
| A | 0006633 | biological_process | fatty acid biosynthetic process |
| A | 0009245 | biological_process | lipid A biosynthetic process |
| A | 0016829 | molecular_function | lyase activity |
| A | 0016836 | molecular_function | hydro-lyase activity |
| A | 0019171 | molecular_function | (3R)-hydroxyacyl-[acyl-carrier-protein] dehydratase activity |
| B | 0005737 | cellular_component | cytoplasm |
| B | 0006633 | biological_process | fatty acid biosynthetic process |
| B | 0009245 | biological_process | lipid A biosynthetic process |
| B | 0016829 | molecular_function | lyase activity |
| B | 0016836 | molecular_function | hydro-lyase activity |
| B | 0019171 | molecular_function | (3R)-hydroxyacyl-[acyl-carrier-protein] dehydratase activity |
| C | 0005737 | cellular_component | cytoplasm |
| C | 0006633 | biological_process | fatty acid biosynthetic process |
| C | 0009245 | biological_process | lipid A biosynthetic process |
| C | 0016829 | molecular_function | lyase activity |
| C | 0016836 | molecular_function | hydro-lyase activity |
| C | 0019171 | molecular_function | (3R)-hydroxyacyl-[acyl-carrier-protein] dehydratase activity |
| D | 0005737 | cellular_component | cytoplasm |
| D | 0006633 | biological_process | fatty acid biosynthetic process |
| D | 0009245 | biological_process | lipid A biosynthetic process |
| D | 0016829 | molecular_function | lyase activity |
| D | 0016836 | molecular_function | hydro-lyase activity |
| D | 0019171 | molecular_function | (3R)-hydroxyacyl-[acyl-carrier-protein] dehydratase activity |
| E | 0005737 | cellular_component | cytoplasm |
| E | 0006633 | biological_process | fatty acid biosynthetic process |
| E | 0009245 | biological_process | lipid A biosynthetic process |
| E | 0016829 | molecular_function | lyase activity |
| E | 0016836 | molecular_function | hydro-lyase activity |
| E | 0019171 | molecular_function | (3R)-hydroxyacyl-[acyl-carrier-protein] dehydratase activity |
| F | 0005737 | cellular_component | cytoplasm |
| F | 0006633 | biological_process | fatty acid biosynthetic process |
| F | 0009245 | biological_process | lipid A biosynthetic process |
| F | 0016829 | molecular_function | lyase activity |
| F | 0016836 | molecular_function | hydro-lyase activity |
| F | 0019171 | molecular_function | (3R)-hydroxyacyl-[acyl-carrier-protein] dehydratase activity |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE CL A 1001 |
| Chain | Residue |
| A | HIS58 |
| A | GLY67 |
| B | HOH3006 |
| site_id | AC2 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE CL B 1002 |
| Chain | Residue |
| A | HOH3025 |
| B | HIS58 |
| B | GLY67 |
| B | HOH3026 |
| site_id | AC3 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE CL C 1003 |
| Chain | Residue |
| C | GLY67 |
| D | HOH3210 |
| site_id | AC4 |
| Number of Residues | 1 |
| Details | BINDING SITE FOR RESIDUE CL D 1004 |
| Chain | Residue |
| D | GLY67 |
| site_id | AC5 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE CL E 1005 |
| Chain | Residue |
| E | GLY67 |
| F | HOH3239 |
| site_id | AC6 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE CL F 1006 |
| Chain | Residue |
| E | HOH3133 |
| E | HOH3262 |
| F | GLY67 |
| site_id | AC7 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE BEN A 2001 |
| Chain | Residue |
| A | GLN40 |
| A | GLU124 |
| A | VAL125 |
| E | THR138 |
| E | VAL145 |
| E | GLU148 |
| site_id | AC8 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE BEN A 2005 |
| Chain | Residue |
| A | MET131 |
| A | MET154 |
| F | TRP87 |
| F | ASP90 |
| F | ILE93 |
| site_id | AC9 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE 2BE A 3001 |
| Chain | Residue |
| A | PHE59 |
| A | LYS62 |
| A | PHE109 |
| A | ARG110 |
| A | ILE111 |
| A | PRO112 |
| B | ILE98 |
| B | TYR100 |
| B | ARG158 |
| B | HOH3370 |
| site_id | BC1 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE BEN B 2007 |
| Chain | Residue |
| B | TRP87 |
| B | GLY88 |
| E | LEU86 |
| E | TRP87 |
| E | GLY130 |
| E | HOH3395 |
| site_id | BC2 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE BEN B 2009 |
| Chain | Residue |
| B | ILE20 |
| B | LEU21 |
| B | PRO22 |
| B | HIS23 |
| B | PHE83 |
| B | ALA94 |
| B | LYS97 |
| B | ILE98 |
| B | VAL99 |
| B | HOH3479 |
| site_id | BC3 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE BEN C 2004 |
| Chain | Residue |
| C | ALA38 |
| C | THR84 |
| C | SER85 |
| C | LEU86 |
| C | TRP87 |
| C | GLY88 |
| D | GLN40 |
| site_id | BC4 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE 2BE C 3002 |
| Chain | Residue |
| C | LEU21 |
| C | PRO22 |
| C | HIS23 |
| C | GLY79 |
| C | ILE98 |
| C | VAL99 |
| C | PHE101 |
| C | ARG158 |
| D | PHE59 |
| D | ILE64 |
| site_id | BC5 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE BEN E 2008 |
| Chain | Residue |
| A | THR138 |
| A | GLU148 |
| E | GLU124 |
| E | VAL125 |
| E | LEU126 |
| E | HOH3197 |
Catalytic Information from CSA
| site_id | CSA1 |
| Number of Residues | 1 |
| Details | Annotated By Reference To The Literature 1mka |
| Chain | Residue | Details |
| A | GLU72 |
| site_id | CSA2 |
| Number of Residues | 1 |
| Details | Annotated By Reference To The Literature 1mka |
| Chain | Residue | Details |
| B | GLU72 |
| site_id | CSA3 |
| Number of Residues | 1 |
| Details | Annotated By Reference To The Literature 1mka |
| Chain | Residue | Details |
| C | GLU72 |
| site_id | CSA4 |
| Number of Residues | 1 |
| Details | Annotated By Reference To The Literature 1mka |
| Chain | Residue | Details |
| D | GLU72 |
| site_id | CSA5 |
| Number of Residues | 1 |
| Details | Annotated By Reference To The Literature 1mka |
| Chain | Residue | Details |
| E | GLU72 |
| site_id | CSA6 |
| Number of Residues | 1 |
| Details | Annotated By Reference To The Literature 1mka |
| Chain | Residue | Details |
| F | GLU72 |
