3LOG
Crystal structure of MbtI from Mycobacterium tuberculosis
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 | 9 |
| Details | BINDING SITE FOR RESIDUE SIN A 450 |
| Chain | Residue |
| A | TYR385 |
| A | LEU404 |
| A | ARG405 |
| A | ALA418 |
| A | GLY419 |
| A | LYS438 |
| A | HOH468 |
| A | HOH604 |
| A | HOH627 |
| site_id | AC2 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE SIN A 451 |
| Chain | Residue |
| A | ARG382 |
| A | GLY383 |
| A | LEU384 |
| A | TYR385 |
| A | TYR408 |
| A | TRP415 |
| A | HOH529 |
| A | HOH996 |
| A | HOH1271 |
| site_id | AC3 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE GOL A 452 |
| Chain | Residue |
| A | GLY270 |
| A | GLU294 |
| A | GLU297 |
| A | GLY421 |
| A | HOH517 |
| A | HOH546 |
| A | HOH1185 |
| A | HOH1443 |
| site_id | AC4 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE SIN B 450 |
| Chain | Residue |
| B | THR361 |
| B | TYR385 |
| B | ARG405 |
| B | ALA418 |
| B | GLY419 |
| B | LYS438 |
| B | CO3452 |
| B | HOH494 |
| B | HOH557 |
| B | HOH582 |
| site_id | AC5 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE NA B 451 |
| Chain | Residue |
| B | LYS293 |
| B | GLU297 |
| B | GLY421 |
| B | GLU431 |
| B | GLU434 |
| B | CO3452 |
| B | HOH648 |
| site_id | AC6 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE CO3 B 452 |
| Chain | Residue |
| B | GLY270 |
| B | THR271 |
| B | GLU297 |
| B | GLY421 |
| B | GLU434 |
| B | LYS438 |
| B | SIN450 |
| B | NA451 |
| B | HOH558 |
| site_id | AC7 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE GOL B 453 |
| Chain | Residue |
| B | VAL214 |
| B | PHE216 |
| B | ALA217 |
| B | GLY412 |
| B | ARG413 |
| B | THR414 |
| B | HOH618 |
| site_id | AC8 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE SIN C 450 |
| Chain | Residue |
| C | THR361 |
| C | TYR385 |
| C | LEU404 |
| C | ARG405 |
| C | ALA418 |
| C | GLY419 |
| C | LYS438 |
| C | HOH1399 |
| C | HOH1490 |
| site_id | AC9 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE GOL C 451 |
| Chain | Residue |
| C | VAL214 |
| C | PRO215 |
| C | PHE216 |
| C | ALA217 |
| C | GLY412 |
| C | THR414 |
| C | HOH538 |
| site_id | BC1 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE GOL C 452 |
| Chain | Residue |
| C | ARG80 |
| C | ARG81 |
| C | HOH1533 |
| site_id | BC2 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE SIN D 450 |
| Chain | Residue |
| D | THR361 |
| D | TYR385 |
| D | LEU404 |
| D | ARG405 |
| D | ALA418 |
| D | GLY419 |
| D | LYS438 |
| D | HOH716 |
| D | HOH1558 |
| site_id | BC3 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE GOL D 451 |
| Chain | Residue |
| D | ARG382 |
| D | GLY383 |
| D | LEU384 |
| D | TYR385 |
| D | TYR408 |
| D | TRP415 |
| D | HOH503 |
| D | HOH1206 |
| D | HOH1394 |
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 | |
| A | GLU431 | |
| A | GLU434 | |
| B | GLU297 | |
| B | GLU431 | |
| B | GLU434 | |
| C | GLU297 | |
| C | GLU431 | |
| C | GLU434 | |
| D | GLU297 | |
| D | GLU431 | |
| D | 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 |
| B | TYR385 | |
| B | ARG405 | |
| B | GLY419 | |
| B | LYS438 | |
| C | TYR385 | |
| C | ARG405 | |
| C | GLY419 | |
| C | LYS438 | |
| D | TYR385 | |
| D | ARG405 | |
| D | GLY419 | |
| D | LYS438 | |
| A | TYR385 | |
| A | ARG405 | |
| A | GLY419 | |
| A | LYS438 |
| 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 |
