3RV6
Structure of a M. tuberculosis Salicylate Synthase, MbtI, in Complex with an Inhibitor with Phenyl R-Group
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0000162 | biological_process | tryptophan biosynthetic process |
| A | 0000287 | molecular_function | magnesium ion binding |
| A | 0004106 | molecular_function | chorismate mutase activity |
| A | 0005886 | cellular_component | plasma membrane |
| 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 | 0016829 | molecular_function | lyase activity |
| A | 0016833 | molecular_function | oxo-acid-lyase activity |
| A | 0016853 | molecular_function | isomerase activity |
| A | 0019540 | biological_process | catechol-containing siderophore biosynthetic process |
| A | 0043904 | molecular_function | isochorismate pyruvate lyase activity |
| A | 0046872 | molecular_function | metal ion binding |
| A | 0052572 | biological_process | response to host immune response |
| B | 0000162 | biological_process | tryptophan biosynthetic process |
| B | 0000287 | molecular_function | magnesium ion binding |
| B | 0004106 | molecular_function | chorismate mutase activity |
| B | 0005886 | cellular_component | plasma membrane |
| 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 | 0016829 | molecular_function | lyase activity |
| B | 0016833 | molecular_function | oxo-acid-lyase activity |
| B | 0016853 | molecular_function | isomerase activity |
| B | 0019540 | biological_process | catechol-containing siderophore biosynthetic process |
| B | 0043904 | molecular_function | isochorismate pyruvate lyase activity |
| B | 0046872 | molecular_function | metal ion binding |
| B | 0052572 | biological_process | response to host immune response |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 14 |
| Details | BINDING SITE FOR RESIDUE VAE A 451 |
| Chain | Residue |
| A | ILE207 |
| A | LYS438 |
| A | HOH555 |
| A | HOH559 |
| A | HOH562 |
| A | HOH598 |
| A | LEU268 |
| A | GLU294 |
| A | GLU297 |
| A | THR361 |
| A | TYR385 |
| A | LEU404 |
| A | ALA418 |
| A | GLY419 |
| site_id | AC2 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE MG A 452 |
| Chain | Residue |
| A | HOH554 |
| A | HOH555 |
| A | HOH556 |
| A | HOH559 |
| A | HOH560 |
| A | HOH561 |
| site_id | AC3 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE SO4 A 453 |
| Chain | Residue |
| A | ARG87 |
| A | HOH765 |
| B | ARG188 |
| B | ARG189 |
| B | HOH491 |
| site_id | AC4 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE RVA A 454 |
| Chain | Residue |
| A | HIS204 |
| A | VAL296 |
| A | ILE300 |
| A | ARG303 |
| A | ILE365 |
| A | PRO366 |
| A | HOH563 |
| A | HOH781 |
| site_id | AC5 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE RVA A 455 |
| Chain | Residue |
| A | ILE155 |
| A | ARG156 |
| A | HOH618 |
| A | HOH720 |
| site_id | AC6 |
| Number of Residues | 14 |
| Details | BINDING SITE FOR RESIDUE RVA B 451 |
| Chain | Residue |
| B | ILE207 |
| B | GLU252 |
| B | SER301 |
| B | THR361 |
| B | TYR385 |
| B | LEU402 |
| B | LEU404 |
| B | ARG405 |
| B | ALA418 |
| B | GLY419 |
| B | LYS438 |
| B | HOH464 |
| B | HOH546 |
| B | HOH676 |
| site_id | AC7 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE MG B 452 |
| Chain | Residue |
| B | GLU434 |
| B | HOH562 |
| B | HOH575 |
| B | HOH676 |
| site_id | AC8 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE RVA B 453 |
| Chain | Residue |
| B | HIS204 |
| B | LYS205 |
| B | VAL296 |
| B | ILE300 |
| B | ILE423 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 2 |
| Details | ACT_SITE: Proton donor => ECO:0000250|UniProtKB:Q9X9I8 |
| Chain | Residue | Details |
| A | GLU252 | |
| B | GLU252 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 2 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:20512795, ECO:0000269|PubMed:22607697 |
| Chain | Residue | Details |
| A | GLY270 | |
| B | GLY270 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 6 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:20512795 |
| Chain | Residue | Details |
| A | GLU297 | |
| A | GLU431 | |
| A | GLU434 | |
| B | GLU297 | |
| B | GLU431 | |
| B | GLU434 |
| site_id | SWS_FT_FI4 |
| Number of Residues | 8 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:16923875, ECO:0000269|PubMed:20512795, ECO:0000269|PubMed:22607697 |
| Chain | Residue | Details |
| A | TYR385 | |
| A | ARG405 | |
| A | GLY419 | |
| A | LYS438 | |
| B | TYR385 | |
| B | ARG405 | |
| B | GLY419 | |
| B | LYS438 |
| site_id | SWS_FT_FI5 |
| Number of Residues | 2 |
| Details | SITE: Could activate a water molecule for attack at the C2 of chorismate and involved in recognition/elimination of the C4 hydroxyl => ECO:0000269|PubMed:17240979 |
| Chain | Residue | Details |
| A | LEU268 | |
| B | LEU268 |
