6ZA5
M. tuberculosis salicylate synthase MbtI in complex with salicylate and Mg2+
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 |
| C | 0000162 | biological_process | tryptophan biosynthetic process |
| C | 0000287 | molecular_function | magnesium ion binding |
| C | 0004106 | molecular_function | chorismate mutase activity |
| C | 0005886 | cellular_component | plasma membrane |
| 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 | 0016829 | molecular_function | lyase activity |
| C | 0016833 | molecular_function | oxo-acid-lyase activity |
| C | 0016853 | molecular_function | isomerase activity |
| C | 0019540 | biological_process | catechol-containing siderophore biosynthetic process |
| C | 0043904 | molecular_function | isochorismate pyruvate lyase activity |
| C | 0046872 | molecular_function | metal ion binding |
| C | 0052572 | biological_process | response to host immune response |
| D | 0000162 | biological_process | tryptophan biosynthetic process |
| D | 0000287 | molecular_function | magnesium ion binding |
| D | 0004106 | molecular_function | chorismate mutase activity |
| D | 0005886 | cellular_component | plasma membrane |
| 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 | 0016829 | molecular_function | lyase activity |
| D | 0016833 | molecular_function | oxo-acid-lyase activity |
| D | 0016853 | molecular_function | isomerase activity |
| D | 0019540 | biological_process | catechol-containing siderophore biosynthetic process |
| D | 0043904 | molecular_function | isochorismate pyruvate lyase activity |
| D | 0046872 | molecular_function | metal ion binding |
| D | 0052572 | biological_process | response to host immune response |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 10 |
| Details | binding site for residue SO4 A 501 |
| Chain | Residue |
| A | LYS205 |
| A | HOH815 |
| A | ALA269 |
| A | GLY270 |
| A | GLY421 |
| A | MG518 |
| A | HOH605 |
| A | HOH701 |
| A | HOH730 |
| A | HOH799 |
| site_id | AC2 |
| Number of Residues | 2 |
| Details | binding site for residue SO4 A 502 |
| Chain | Residue |
| A | ARG245 |
| A | ARG449 |
| site_id | AC3 |
| Number of Residues | 4 |
| Details | binding site for residue SO4 A 503 |
| Chain | Residue |
| A | ARG327 |
| A | ARG329 |
| A | HOH602 |
| A | HOH731 |
| site_id | AC4 |
| Number of Residues | 7 |
| Details | binding site for residue SO4 A 504 |
| Chain | Residue |
| A | THR271 |
| A | ARG430 |
| A | GLU434 |
| A | GLU437 |
| A | SO4514 |
| A | HOH604 |
| A | HOH773 |
| site_id | AC5 |
| Number of Residues | 6 |
| Details | binding site for residue SO4 A 505 |
| Chain | Residue |
| A | GLN123 |
| A | ARG124 |
| A | HOH601 |
| A | HOH770 |
| C | ARG189 |
| C | HOH633 |
| site_id | AC6 |
| Number of Residues | 3 |
| Details | binding site for residue SO4 A 506 |
| Chain | Residue |
| A | PRO278 |
| A | ARG282 |
| A | HOH626 |
| site_id | AC7 |
| Number of Residues | 4 |
| Details | binding site for residue SO4 A 507 |
| Chain | Residue |
| A | GLU43 |
| A | ASP44 |
| A | GLY59 |
| A | VAL60 |
| site_id | AC8 |
| Number of Residues | 8 |
| Details | binding site for residue SO4 A 508 |
| Chain | Residue |
| A | GLY383 |
| A | LEU384 |
| A | VAL410 |
| A | TRP415 |
| A | HOH645 |
| A | HOH660 |
| A | HOH671 |
| A | HOH728 |
| site_id | AC9 |
| Number of Residues | 5 |
| Details | binding site for residue SO4 A 509 |
| Chain | Residue |
| A | GLY243 |
| A | SO4517 |
| A | HOH632 |
| A | HOH691 |
| A | HOH836 |
| site_id | AD1 |
| Number of Residues | 4 |
| Details | binding site for residue SO4 A 510 |
| Chain | Residue |
| A | GLU171 |
| A | VAL172 |
| A | ARG225 |
| A | ARG229 |
| site_id | AD2 |
| Number of Residues | 3 |
| Details | binding site for residue SO4 A 511 |
| Chain | Residue |
| A | ARG228 |
| A | THR232 |
| A | HOH741 |
| site_id | AD3 |
| Number of Residues | 3 |
| Details | binding site for residue SO4 A 512 |
| Chain | Residue |
| A | THR79 |
| A | ARG81 |
| A | HOH603 |
| site_id | AD4 |
| Number of Residues | 3 |
| Details | binding site for residue SO4 A 513 |
| Chain | Residue |
| A | SER68 |
| A | ASP69 |
| A | PRO127 |
| site_id | AD5 |
| Number of Residues | 6 |
| Details | binding site for residue SO4 A 514 |
| Chain | Residue |
| A | LYS293 |
| A | SO4504 |
| A | HOH604 |
| A | HOH725 |
| A | HOH736 |
| A | HOH759 |
| site_id | AD6 |
| Number of Residues | 3 |
| Details | binding site for residue SO4 A 515 |
| Chain | Residue |
| A | PRO19 |
| A | ARG282 |
| A | ARG285 |
| site_id | AD7 |
| Number of Residues | 3 |
| Details | binding site for residue SO4 A 516 |
| Chain | Residue |
| A | ARG72 |
| A | ARG81 |
| A | SO4517 |
| site_id | AD8 |
| Number of Residues | 3 |
| Details | binding site for residue SO4 A 517 |
| Chain | Residue |
| A | GLU65 |
| A | SO4509 |
| A | SO4516 |
| site_id | AD9 |
| Number of Residues | 6 |
| Details | binding site for residue MG A 518 |
| Chain | Residue |
| A | GLY421 |
| A | SO4501 |
| A | HOH692 |
| A | HOH701 |
| A | HOH730 |
| A | HOH799 |
| site_id | AE1 |
| Number of Residues | 6 |
| Details | binding site for residue MG A 519 |
| Chain | Residue |
| A | ASP311 |
| A | HOH620 |
| A | HOH636 |
| C | HOH618 |
| C | HOH631 |
| C | HOH640 |
| site_id | AE2 |
| Number of Residues | 6 |
| Details | binding site for residue ACT A 520 |
| Chain | Residue |
| A | TYR385 |
| A | LEU404 |
| A | ARG405 |
| A | GLY419 |
| A | LYS438 |
| A | HOH624 |
| site_id | AE3 |
| Number of Residues | 5 |
| Details | binding site for residue MG B 501 |
| Chain | Residue |
| B | HOH653 |
| B | GLU297 |
| B | GLU434 |
| B | SAL502 |
| B | HOH608 |
| site_id | AE4 |
| Number of Residues | 12 |
| Details | binding site for residue SAL B 502 |
| Chain | Residue |
| B | LEU268 |
| B | GLY270 |
| B | THR271 |
| B | GLU297 |
| B | HIS334 |
| B | THR361 |
| B | ARG405 |
| B | GLY421 |
| B | GLU434 |
| B | LYS438 |
| B | MG501 |
| B | SO4503 |
| site_id | AE5 |
| Number of Residues | 8 |
| Details | binding site for residue SO4 B 503 |
| Chain | Residue |
| B | TYR385 |
| B | LEU404 |
| B | ARG405 |
| B | ALA418 |
| B | GLY419 |
| B | LYS438 |
| B | SAL502 |
| B | HOH603 |
| site_id | AE6 |
| Number of Residues | 3 |
| Details | binding site for residue SO4 B 504 |
| Chain | Residue |
| B | ARG327 |
| B | ARG329 |
| B | HOH661 |
| site_id | AE7 |
| Number of Residues | 4 |
| Details | binding site for residue SO4 B 505 |
| Chain | Residue |
| B | ARG228 |
| B | THR232 |
| B | HOH628 |
| B | HOH755 |
| site_id | AE8 |
| Number of Residues | 6 |
| Details | binding site for residue SO4 B 506 |
| Chain | Residue |
| B | GLU65 |
| B | ARG133 |
| B | GLY243 |
| B | HOH604 |
| B | HOH615 |
| B | HOH674 |
| site_id | AE9 |
| Number of Residues | 4 |
| Details | binding site for residue SO4 B 507 |
| Chain | Residue |
| A | GLU425 |
| A | HOH608 |
| B | SER292 |
| B | HOH652 |
| site_id | AF1 |
| Number of Residues | 7 |
| Details | binding site for residue SO4 C 501 |
| Chain | Residue |
| C | TYR385 |
| C | LEU404 |
| C | ARG405 |
| C | ALA418 |
| C | GLY419 |
| C | LYS438 |
| C | HOH616 |
| site_id | AF2 |
| Number of Residues | 7 |
| Details | binding site for residue SO4 C 502 |
| Chain | Residue |
| A | PRO315 |
| C | ARG245 |
| C | GLN409 |
| C | ARG449 |
| C | HOH602 |
| C | HOH604 |
| C | HOH605 |
| site_id | AF3 |
| Number of Residues | 7 |
| Details | binding site for residue SO4 C 503 |
| Chain | Residue |
| C | PRO215 |
| C | PHE216 |
| C | ALA217 |
| C | HOH601 |
| C | HOH609 |
| C | HOH668 |
| C | HOH673 |
| site_id | AF4 |
| Number of Residues | 2 |
| Details | binding site for residue SO4 C 504 |
| Chain | Residue |
| C | ARG327 |
| C | ARG329 |
| site_id | AF5 |
| Number of Residues | 5 |
| Details | binding site for residue MG D 501 |
| Chain | Residue |
| D | GLU297 |
| D | GLU434 |
| D | SAL502 |
| D | HOH609 |
| D | HOH610 |
| site_id | AF6 |
| Number of Residues | 12 |
| Details | binding site for residue SAL D 502 |
| Chain | Residue |
| D | LEU268 |
| D | GLY270 |
| D | THR271 |
| D | GLU297 |
| D | HIS334 |
| D | THR361 |
| D | ARG405 |
| D | GLY421 |
| D | GLU434 |
| D | LYS438 |
| D | MG501 |
| D | SO4504 |
| site_id | AF7 |
| Number of Residues | 6 |
| Details | binding site for residue SO4 D 503 |
| Chain | Residue |
| D | ARG327 |
| D | ARG329 |
| D | SO4509 |
| D | HOH605 |
| D | HOH606 |
| D | HOH614 |
| site_id | AF8 |
| Number of Residues | 8 |
| Details | binding site for residue SO4 D 504 |
| Chain | Residue |
| D | TYR385 |
| D | LEU404 |
| D | ARG405 |
| D | ALA418 |
| D | GLY419 |
| D | LYS438 |
| D | SAL502 |
| D | HOH604 |
| site_id | AF9 |
| Number of Residues | 6 |
| Details | binding site for residue SO4 D 505 |
| Chain | Residue |
| B | ARG276 |
| D | GLY411 |
| D | GLY412 |
| D | HOH624 |
| D | HOH644 |
| D | HOH650 |
| site_id | AG1 |
| Number of Residues | 8 |
| Details | binding site for residue SO4 D 506 |
| Chain | Residue |
| A | GLU429 |
| A | ARG430 |
| D | ARG170 |
| D | GLU171 |
| D | VAL172 |
| D | ARG225 |
| D | ARG229 |
| D | HOH601 |
| site_id | AG2 |
| Number of Residues | 2 |
| Details | binding site for residue SO4 D 507 |
| Chain | Residue |
| A | SER185 |
| D | GLU328 |
| site_id | AG3 |
| Number of Residues | 4 |
| Details | binding site for residue SO4 D 508 |
| Chain | Residue |
| D | SER177 |
| D | PRO444 |
| D | HOH637 |
| D | HOH676 |
| site_id | AG4 |
| Number of Residues | 3 |
| Details | binding site for residue SO4 D 509 |
| Chain | Residue |
| D | GLU266 |
| D | THR338 |
| D | SO4503 |
| site_id | AG5 |
| Number of Residues | 6 |
| Details | binding site for residue SO4 D 510 |
| Chain | Residue |
| D | ARG235 |
| D | LEU253 |
| D | ALA256 |
| D | ILE264 |
| D | HOH602 |
| D | HOH631 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 4 |
| Details | ACT_SITE: Proton donor => ECO:0000250|UniProtKB:Q9X9I8 |
| Chain | Residue | Details |
| A | GLU252 | |
| B | GLU252 | |
| C | GLU252 | |
| D | GLU252 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 4 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:20512795, ECO:0000269|PubMed:22607697 |
| Chain | Residue | Details |
| A | GLY270 | |
| B | GLY270 | |
| C | GLY270 | |
| D | GLY270 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 12 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:20512795 |
| Chain | Residue | Details |
| A | GLU297 | |
| D | GLU297 | |
| D | GLU431 | |
| D | GLU434 | |
| A | GLU431 | |
| A | GLU434 | |
| B | GLU297 | |
| B | GLU431 | |
| B | GLU434 | |
| C | GLU297 | |
| C | GLU431 | |
| C | GLU434 |
| site_id | SWS_FT_FI4 |
| Number of Residues | 16 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:16923875, ECO:0000269|PubMed:20512795, ECO:0000269|PubMed:22607697 |
| Chain | Residue | Details |
| A | TYR385 | |
| C | ARG405 | |
| C | GLY419 | |
| C | LYS438 | |
| D | TYR385 | |
| D | ARG405 | |
| D | GLY419 | |
| D | LYS438 | |
| A | ARG405 | |
| A | GLY419 | |
| A | LYS438 | |
| B | TYR385 | |
| B | ARG405 | |
| B | GLY419 | |
| B | LYS438 | |
| C | TYR385 |
| site_id | SWS_FT_FI5 |
| Number of Residues | 4 |
| 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 | |
| C | LEU268 | |
| D | LEU268 |
