3RV7
Structure of a M. tuberculosis Salicylate Synthase, MbtI, in Complex with an Inhibitor with Isopropyl R-Group
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0000287 | molecular_function | magnesium ion binding |
| A | 0004106 | molecular_function | chorismate mutase activity |
| A | 0008909 | molecular_function | isochorismate synthase activity |
| A | 0009058 | biological_process | biosynthetic process |
| A | 0009697 | biological_process | salicylic acid biosynthetic process |
| A | 0010106 | biological_process | cellular response to iron ion starvation |
| A | 0016833 | molecular_function | oxo-acid-lyase activity |
| A | 0019540 | biological_process | catechol-containing siderophore biosynthetic process |
| A | 0043904 | molecular_function | isochorismate pyruvate lyase activity |
| A | 0044847 | biological_process | iron acquisition from host |
| B | 0000287 | molecular_function | magnesium ion binding |
| B | 0004106 | molecular_function | chorismate mutase activity |
| B | 0008909 | molecular_function | isochorismate synthase activity |
| B | 0009058 | biological_process | biosynthetic process |
| B | 0009697 | biological_process | salicylic acid biosynthetic process |
| B | 0010106 | biological_process | cellular response to iron ion starvation |
| B | 0016833 | molecular_function | oxo-acid-lyase activity |
| B | 0019540 | biological_process | catechol-containing siderophore biosynthetic process |
| B | 0043904 | molecular_function | isochorismate pyruvate lyase activity |
| B | 0044847 | biological_process | iron acquisition from host |
| C | 0000287 | molecular_function | magnesium ion binding |
| C | 0004106 | molecular_function | chorismate mutase activity |
| C | 0008909 | molecular_function | isochorismate synthase activity |
| C | 0009058 | biological_process | biosynthetic process |
| C | 0009697 | biological_process | salicylic acid biosynthetic process |
| C | 0010106 | biological_process | cellular response to iron ion starvation |
| C | 0016833 | molecular_function | oxo-acid-lyase activity |
| C | 0019540 | biological_process | catechol-containing siderophore biosynthetic process |
| C | 0043904 | molecular_function | isochorismate pyruvate lyase activity |
| C | 0044847 | biological_process | iron acquisition from host |
| D | 0000287 | molecular_function | magnesium ion binding |
| D | 0004106 | molecular_function | chorismate mutase activity |
| D | 0008909 | molecular_function | isochorismate synthase activity |
| D | 0009058 | biological_process | biosynthetic process |
| D | 0009697 | biological_process | salicylic acid biosynthetic process |
| D | 0010106 | biological_process | cellular response to iron ion starvation |
| D | 0016833 | molecular_function | oxo-acid-lyase activity |
| D | 0019540 | biological_process | catechol-containing siderophore biosynthetic process |
| D | 0043904 | molecular_function | isochorismate pyruvate lyase activity |
| D | 0044847 | biological_process | iron acquisition from host |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 13 |
| Details | BINDING SITE FOR RESIDUE RVB A 451 |
| Chain | Residue |
| A | PRO251 |
| A | ALA418 |
| A | GLY419 |
| A | LYS438 |
| A | HOH562 |
| A | GLU252 |
| A | LEU268 |
| A | THR271 |
| A | HIS334 |
| A | THR361 |
| A | TYR385 |
| A | LEU404 |
| A | ARG405 |
| site_id | AC2 |
| Number of Residues | 13 |
| Details | BINDING SITE FOR RESIDUE RVB B 451 |
| Chain | Residue |
| B | PRO251 |
| B | GLU252 |
| B | LEU268 |
| B | THR271 |
| B | HIS334 |
| B | THR361 |
| B | TYR385 |
| B | LEU404 |
| B | ARG405 |
| B | ALA418 |
| B | GLY419 |
| B | LYS438 |
| B | HOH561 |
| site_id | AC3 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE RVB C 451 |
| Chain | Residue |
| C | THR271 |
| C | TYR385 |
| C | LEU404 |
| C | ARG405 |
| C | ALA418 |
| C | GLY419 |
| C | LYS438 |
| site_id | AC4 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE RVB D 451 |
| Chain | Residue |
| D | PRO251 |
| D | LEU268 |
| D | THR361 |
| D | TYR385 |
| D | LEU404 |
| D | ARG405 |
| D | ALA418 |
| D | GLY419 |
| D | LYS438 |
| D | HOH547 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 4 |
| Details | Active site: {"description":"Proton donor","evidences":[{"source":"UniProtKB","id":"Q9X9I8","evidenceCode":"ECO:0000250"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 4 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"20512795","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"22607697","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI3 |
| Number of Residues | 12 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"20512795","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI4 |
| Number of Residues | 20 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"16923875","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"20512795","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"22607697","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI5 |
| Number of Residues | 4 |
| Details | Site: {"description":"Could activate a water molecule for attack at the C2 of chorismate and involved in recognition/elimination of the C4 hydroxyl","evidences":[{"source":"PubMed","id":"17240979","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
