6ZA6
M. tuberculosis salicylate synthase MbtI in complex with Ba2+
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 | 6 |
| Details | binding site for residue GOL A 501 |
| Chain | Residue |
| A | VAL214 |
| A | PHE216 |
| A | ALA217 |
| A | GLY412 |
| A | THR414 |
| A | HOH662 |
| site_id | AC2 |
| Number of Residues | 9 |
| Details | binding site for residue PO4 A 502 |
| Chain | Residue |
| A | GLY421 |
| A | GLU434 |
| A | LYS438 |
| A | HOH699 |
| A | HOH731 |
| A | HOH870 |
| A | GLY270 |
| A | THR271 |
| A | ALA420 |
| site_id | AC3 |
| Number of Residues | 4 |
| Details | binding site for residue CL A 503 |
| Chain | Residue |
| A | ARG405 |
| A | GLY419 |
| A | LYS438 |
| A | HOH624 |
| site_id | AC4 |
| Number of Residues | 6 |
| Details | binding site for residue GOL B 501 |
| Chain | Residue |
| B | VAL214 |
| B | PRO215 |
| B | PHE216 |
| B | GLY412 |
| B | THR414 |
| B | HOH670 |
| site_id | AC5 |
| Number of Residues | 7 |
| Details | binding site for residue BA B 502 |
| Chain | Residue |
| B | GLU297 |
| B | GLY421 |
| B | GLU431 |
| B | GLU434 |
| B | PO4503 |
| B | HOH605 |
| B | HOH659 |
| site_id | AC6 |
| Number of Residues | 12 |
| Details | binding site for residue PO4 B 503 |
| Chain | Residue |
| B | LYS205 |
| B | GLY270 |
| B | THR271 |
| B | GLU297 |
| B | GLY421 |
| B | GLU434 |
| B | LYS438 |
| B | BA502 |
| B | HOH605 |
| B | HOH617 |
| B | HOH631 |
| B | HOH658 |
| site_id | AC7 |
| Number of Residues | 5 |
| Details | binding site for residue CL B 504 |
| Chain | Residue |
| B | ARG405 |
| B | GLY419 |
| B | LYS438 |
| B | HOH660 |
| B | HOH723 |
| site_id | AC8 |
| Number of Residues | 1 |
| Details | binding site for residue CL B 505 |
| Chain | Residue |
| B | ARG189 |
| site_id | AC9 |
| Number of Residues | 6 |
| Details | binding site for residue GOL C 501 |
| Chain | Residue |
| C | VAL214 |
| C | PHE216 |
| C | ALA217 |
| C | GLY412 |
| C | THR414 |
| C | HOH614 |
| site_id | AD1 |
| Number of Residues | 9 |
| Details | binding site for residue PO4 C 502 |
| Chain | Residue |
| C | GLY270 |
| C | THR271 |
| C | GLY421 |
| C | GLU434 |
| C | LYS438 |
| C | HOH602 |
| C | HOH607 |
| C | HOH624 |
| C | HOH713 |
| site_id | AD2 |
| Number of Residues | 4 |
| Details | binding site for residue CL C 503 |
| Chain | Residue |
| C | TYR385 |
| C | ALA418 |
| C | GLY419 |
| C | HOH750 |
| site_id | AD3 |
| Number of Residues | 6 |
| Details | binding site for residue GOL D 501 |
| Chain | Residue |
| D | VAL214 |
| D | PHE216 |
| D | ALA217 |
| D | GLY412 |
| D | THR414 |
| D | HOH672 |
| site_id | AD4 |
| Number of Residues | 7 |
| Details | binding site for residue BA D 502 |
| Chain | Residue |
| D | GLU297 |
| D | GLY421 |
| D | GLU431 |
| D | GLU434 |
| D | PO4503 |
| D | HOH628 |
| D | HOH797 |
| site_id | AD5 |
| Number of Residues | 12 |
| Details | binding site for residue PO4 D 503 |
| Chain | Residue |
| D | LYS205 |
| D | GLY270 |
| D | THR271 |
| D | GLU297 |
| D | GLY421 |
| D | GLU434 |
| D | LYS438 |
| D | BA502 |
| D | HOH610 |
| D | HOH628 |
| D | HOH660 |
| D | HOH697 |
| site_id | AD6 |
| Number of Residues | 4 |
| Details | binding site for residue CL D 504 |
| Chain | Residue |
| D | ARG405 |
| D | GLY419 |
| D | LYS438 |
| D | HOH678 |
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 |
| B | GLU252 | |
| C | GLU252 | |
| D | GLU252 | |
| A | GLU252 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 4 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:20512795, ECO:0000269|PubMed:22607697 |
| Chain | Residue | Details |
| D | GLY270 | |
| A | GLY270 | |
| B | GLY270 | |
| C | GLY270 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 12 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:20512795 |
| Chain | Residue | Details |
| B | GLU297 | |
| B | GLU431 | |
| B | GLU434 | |
| C | GLU297 | |
| C | GLU431 | |
| C | GLU434 | |
| D | GLU297 | |
| D | GLU431 | |
| D | GLU434 | |
| A | GLU297 | |
| A | GLU431 | |
| A | 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 | ARG405 | |
| A | GLY419 | |
| A | LYS438 | |
| A | 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 |
