6BUP
Crystal structures of cyanuric acid hydrolase from Moorella thermoacetica complexed with cyanuric acid
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0016787 | molecular_function | hydrolase activity |
| A | 0016812 | molecular_function | hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds, in cyclic amides |
| A | 0018753 | molecular_function | cyanuric acid amidohydrolase activity |
| A | 0019381 | biological_process | atrazine catabolic process |
| A | 0046872 | molecular_function | metal ion binding |
| B | 0016787 | molecular_function | hydrolase activity |
| B | 0016812 | molecular_function | hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds, in cyclic amides |
| B | 0018753 | molecular_function | cyanuric acid amidohydrolase activity |
| B | 0019381 | biological_process | atrazine catabolic process |
| B | 0046872 | molecular_function | metal ion binding |
| C | 0016787 | molecular_function | hydrolase activity |
| C | 0016812 | molecular_function | hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds, in cyclic amides |
| C | 0018753 | molecular_function | cyanuric acid amidohydrolase activity |
| C | 0019381 | biological_process | atrazine catabolic process |
| C | 0046872 | molecular_function | metal ion binding |
| D | 0016787 | molecular_function | hydrolase activity |
| D | 0016812 | molecular_function | hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds, in cyclic amides |
| D | 0018753 | molecular_function | cyanuric acid amidohydrolase activity |
| D | 0019381 | biological_process | atrazine catabolic process |
| D | 0046872 | molecular_function | metal ion binding |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 11 |
| Details | binding site for residue MLI A 401 |
| Chain | Residue |
| A | GLY45 |
| A | GLY348 |
| A | HOH555 |
| A | ARG52 |
| A | SER83 |
| A | GLY84 |
| A | LYS161 |
| A | SER231 |
| A | ALA232 |
| A | ARG328 |
| A | SER347 |
| site_id | AC2 |
| Number of Residues | 7 |
| Details | binding site for residue CA A 402 |
| Chain | Residue |
| A | GLU301 |
| A | ALA350 |
| A | GLN353 |
| A | GLY354 |
| A | PRO355 |
| A | GLY358 |
| A | HOH543 |
| site_id | AC3 |
| Number of Residues | 7 |
| Details | binding site for residue PDO A 403 |
| Chain | Residue |
| A | ILE321 |
| A | ARG325 |
| A | ALA329 |
| A | HOH505 |
| C | ARG325 |
| C | ALA329 |
| C | HOH555 |
| site_id | AC4 |
| Number of Residues | 6 |
| Details | binding site for residue PDO A 404 |
| Chain | Residue |
| A | GLU5 |
| A | VAL6 |
| A | LEU254 |
| A | ARG366 |
| A | HOH522 |
| A | HOH575 |
| site_id | AC5 |
| Number of Residues | 5 |
| Details | binding site for residue PDO A 405 |
| Chain | Residue |
| A | LYS187 |
| A | TYR191 |
| A | CYS218 |
| A | TRP221 |
| A | HOH540 |
| site_id | AC6 |
| Number of Residues | 4 |
| Details | binding site for residue PDO A 406 |
| Chain | Residue |
| A | HIS156 |
| A | HIS258 |
| A | ASP276 |
| A | HOH503 |
| site_id | AC7 |
| Number of Residues | 8 |
| Details | binding site for residue PEG A 407 |
| Chain | Residue |
| A | TRP221 |
| A | GLU301 |
| A | ALA302 |
| A | ALA350 |
| A | GLU351 |
| A | ASP356 |
| A | HOH540 |
| A | HOH543 |
| site_id | AC8 |
| Number of Residues | 3 |
| Details | binding site for residue PDO A 408 |
| Chain | Residue |
| A | LYS76 |
| A | LYS77 |
| A | HOH512 |
| site_id | AC9 |
| Number of Residues | 12 |
| Details | binding site for residue MLI B 401 |
| Chain | Residue |
| B | GLY45 |
| B | ARG52 |
| B | SER83 |
| B | GLY84 |
| B | LYS161 |
| B | SER231 |
| B | ALA232 |
| B | ARG328 |
| B | SER347 |
| B | GLY348 |
| B | WDL402 |
| B | HOH535 |
| site_id | AD1 |
| Number of Residues | 11 |
| Details | binding site for residue WDL B 402 |
| Chain | Residue |
| B | GLY45 |
| B | ARG52 |
| B | GLY84 |
| B | ARG193 |
| B | SER231 |
| B | ALA232 |
| B | ARG328 |
| B | SER347 |
| B | GLY348 |
| B | MLI401 |
| B | HOH535 |
| site_id | AD2 |
| Number of Residues | 7 |
| Details | binding site for residue CA B 403 |
| Chain | Residue |
| B | GLU301 |
| B | ALA350 |
| B | GLN353 |
| B | GLY354 |
| B | PRO355 |
| B | GLY358 |
| B | HOH581 |
| site_id | AD3 |
| Number of Residues | 5 |
| Details | binding site for residue PDO B 404 |
| Chain | Residue |
| B | GLU5 |
| B | VAL6 |
| B | ARG366 |
| B | HOH573 |
| B | HOH609 |
| site_id | AD4 |
| Number of Residues | 8 |
| Details | binding site for residue PDO B 405 |
| Chain | Residue |
| B | TRP221 |
| B | GLU301 |
| B | SER304 |
| B | ALA350 |
| B | GLU351 |
| B | ASP356 |
| B | HOH503 |
| B | HOH581 |
| site_id | AD5 |
| Number of Residues | 5 |
| Details | binding site for residue PDO B 406 |
| Chain | Residue |
| B | ILE207 |
| B | ASN222 |
| B | LEU223 |
| B | TYR224 |
| B | HOH694 |
| site_id | AD6 |
| Number of Residues | 12 |
| Details | binding site for residue MLI C 401 |
| Chain | Residue |
| C | GLY45 |
| C | ARG52 |
| C | SER83 |
| C | GLY84 |
| C | LYS161 |
| C | SER231 |
| C | ALA232 |
| C | ARG328 |
| C | SER347 |
| C | GLY348 |
| C | WDL402 |
| C | HOH503 |
| site_id | AD7 |
| Number of Residues | 14 |
| Details | binding site for residue WDL C 402 |
| Chain | Residue |
| C | GLY45 |
| C | ARG52 |
| C | SER83 |
| C | GLY84 |
| C | LYS161 |
| C | MET189 |
| C | ARG193 |
| C | SER231 |
| C | ALA232 |
| C | ARG328 |
| C | SER347 |
| C | GLY348 |
| C | MLI401 |
| C | HOH503 |
| site_id | AD8 |
| Number of Residues | 7 |
| Details | binding site for residue CA C 403 |
| Chain | Residue |
| C | GLU301 |
| C | ALA350 |
| C | GLN353 |
| C | GLY354 |
| C | PRO355 |
| C | GLY358 |
| C | HOH596 |
| site_id | AD9 |
| Number of Residues | 7 |
| Details | binding site for residue PDO C 404 |
| Chain | Residue |
| B | TYR186 |
| B | HOH501 |
| B | HOH607 |
| C | LEU316 |
| C | ASP318 |
| C | SER319 |
| C | HOH514 |
| site_id | AE1 |
| Number of Residues | 8 |
| Details | binding site for residue WDL C 405 |
| Chain | Residue |
| B | SER304 |
| B | LEU316 |
| C | ALA167 |
| C | ILE170 |
| C | ASN183 |
| C | THR185 |
| C | HOH534 |
| C | HOH572 |
| site_id | AE2 |
| Number of Residues | 6 |
| Details | binding site for residue PDO C 406 |
| Chain | Residue |
| C | TRP221 |
| C | GLU301 |
| C | GLU351 |
| C | ASP356 |
| C | HOH506 |
| C | HOH596 |
| site_id | AE3 |
| Number of Residues | 5 |
| Details | binding site for residue PDO C 407 |
| Chain | Residue |
| C | GLU5 |
| C | VAL6 |
| C | LEU254 |
| C | HOH507 |
| C | HOH654 |
| site_id | AE4 |
| Number of Residues | 8 |
| Details | binding site for residue MLI D 401 |
| Chain | Residue |
| D | GLY45 |
| D | ARG52 |
| D | SER83 |
| D | GLY84 |
| D | ARG328 |
| D | SER347 |
| D | GLY348 |
| D | HOH503 |
| site_id | AE5 |
| Number of Residues | 7 |
| Details | binding site for residue CA D 402 |
| Chain | Residue |
| D | GLU301 |
| D | ALA350 |
| D | GLN353 |
| D | GLY354 |
| D | PRO355 |
| D | GLY358 |
| D | HOH584 |
| site_id | AE6 |
| Number of Residues | 3 |
| Details | binding site for residue CL D 404 |
| Chain | Residue |
| D | VAL6 |
| D | HOH507 |
| D | HOH627 |
| site_id | AE7 |
| Number of Residues | 3 |
| Details | binding site for residue CL D 405 |
| Chain | Residue |
| D | TRP221 |
| D | GLU301 |
| D | HOH584 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 412 |
| Details | Region: {"description":"RU A","evidences":[{"source":"HAMAP-Rule","id":"MF_01989","evidenceCode":"ECO:0000255"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 548 |
| Details | Region: {"description":"RU B","evidences":[{"source":"HAMAP-Rule","id":"MF_01989","evidenceCode":"ECO:0000255"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI3 |
| Number of Residues | 4 |
| Details | Active site: {"evidences":[{"source":"HAMAP-Rule","id":"MF_01989","evidenceCode":"ECO:0000255"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI4 |
| Number of Residues | 4 |
| Details | Active site: {"description":"Nucleophile","evidences":[{"source":"HAMAP-Rule","id":"MF_01989","evidenceCode":"ECO:0000255"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI5 |
| Number of Residues | 48 |
| Details | Binding site: {"evidences":[{"source":"HAMAP-Rule","id":"MF_01989","evidenceCode":"ECO:0000255"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI6 |
| Number of Residues | 4 |
| Details | Site: {"description":"Important for substrate specificity","evidences":[{"source":"HAMAP-Rule","id":"MF_01989","evidenceCode":"ECO:0000255"}]} |
| Chain | Residue | Details |
