6BUM
Crystal structures of cyanuric acid hydrolase from Moorella thermoacetica
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 | HOH550 |
| 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 | HOH529 |
| site_id | AC3 |
| Number of Residues | 5 |
| Details | binding site for residue PDO A 403 |
| Chain | Residue |
| A | GLU5 |
| A | VAL6 |
| A | LEU254 |
| A | HOH595 |
| A | HOH706 |
| site_id | AC4 |
| Number of Residues | 9 |
| Details | binding site for residue PDO A 404 |
| Chain | Residue |
| A | TRP221 |
| A | GLU301 |
| A | SER304 |
| A | ALA350 |
| A | GLU351 |
| A | ASP356 |
| A | HOH529 |
| A | HOH555 |
| A | HOH702 |
| site_id | AC5 |
| Number of Residues | 3 |
| Details | binding site for residue PDO A 405 |
| Chain | Residue |
| A | ALA117 |
| A | PHE118 |
| A | HOH600 |
| site_id | AC6 |
| Number of Residues | 3 |
| Details | binding site for residue PDO A 406 |
| Chain | Residue |
| A | PDO409 |
| A | HOH505 |
| B | ASN134 |
| site_id | AC7 |
| Number of Residues | 5 |
| Details | binding site for residue PDO A 407 |
| Chain | Residue |
| A | ARG271 |
| A | ILE279 |
| A | ASP282 |
| A | MET290 |
| A | HOH701 |
| site_id | AC8 |
| Number of Residues | 5 |
| Details | binding site for residue PDO A 408 |
| Chain | Residue |
| A | THR56 |
| A | PHE80 |
| A | GLU235 |
| A | GLU240 |
| A | HOH619 |
| site_id | AC9 |
| Number of Residues | 7 |
| Details | binding site for residue PDO A 409 |
| Chain | Residue |
| A | GLU131 |
| A | ASN134 |
| A | PDO406 |
| A | HOH502 |
| A | HOH523 |
| A | HOH647 |
| B | ARG138 |
| site_id | AD1 |
| Number of Residues | 10 |
| Details | binding site for residue PDO A 410 |
| Chain | Residue |
| A | ASN48 |
| A | PHE50 |
| A | THR166 |
| A | VAL234 |
| A | HOH504 |
| A | HOH648 |
| A | HOH712 |
| B | GLU42 |
| B | HOH582 |
| D | ASP317 |
| site_id | AD2 |
| Number of Residues | 11 |
| 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 | HOH537 |
| site_id | AD3 |
| Number of Residues | 7 |
| Details | binding site for residue CA B 402 |
| Chain | Residue |
| B | GLU301 |
| B | ALA350 |
| B | GLN353 |
| B | GLY354 |
| B | PRO355 |
| B | GLY358 |
| B | HOH554 |
| site_id | AD4 |
| Number of Residues | 2 |
| Details | binding site for residue CL B 403 |
| Chain | Residue |
| B | TYR224 |
| B | HOH597 |
| site_id | AD5 |
| Number of Residues | 7 |
| Details | binding site for residue PDO B 404 |
| Chain | Residue |
| B | GLU5 |
| B | VAL6 |
| B | LEU254 |
| B | ARG366 |
| B | HOH532 |
| B | HOH636 |
| B | HOH672 |
| site_id | AD6 |
| Number of Residues | 6 |
| Details | binding site for residue PDO B 405 |
| Chain | Residue |
| B | ARG271 |
| B | LYS275 |
| B | ILE279 |
| B | ARG280 |
| B | ASP282 |
| B | MET290 |
| site_id | AD7 |
| Number of Residues | 9 |
| Details | binding site for residue PDO B 406 |
| Chain | Residue |
| B | GLU301 |
| B | SER304 |
| B | ALA350 |
| B | GLU351 |
| B | ASP356 |
| B | HOH515 |
| B | HOH554 |
| B | HOH557 |
| B | TRP221 |
| site_id | AD8 |
| Number of Residues | 5 |
| Details | binding site for residue PDO B 407 |
| Chain | Residue |
| B | ILE321 |
| B | SER326 |
| B | HOH572 |
| D | GLU87 |
| D | GLY88 |
| site_id | AD9 |
| Number of Residues | 4 |
| Details | binding site for residue PDO B 408 |
| Chain | Residue |
| B | ARG309 |
| B | ARG311 |
| D | GLY340 |
| D | ASP341 |
| site_id | AE1 |
| Number of Residues | 8 |
| Details | binding site for residue PDO B 409 |
| Chain | Residue |
| A | HOH518 |
| A | HOH525 |
| B | PHE122 |
| B | LEU123 |
| B | PRO124 |
| B | LEU237 |
| B | HOH505 |
| B | HOH630 |
| site_id | AE2 |
| Number of Residues | 11 |
| 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 | HOH545 |
| site_id | AE3 |
| Number of Residues | 7 |
| Details | binding site for residue CA C 402 |
| Chain | Residue |
| C | GLU301 |
| C | ALA350 |
| C | GLN353 |
| C | GLY354 |
| C | PRO355 |
| C | GLY358 |
| C | PDO405 |
| site_id | AE4 |
| Number of Residues | 6 |
| Details | binding site for residue PDO C 403 |
| Chain | Residue |
| C | GLU5 |
| C | VAL6 |
| C | LEU254 |
| C | HOH596 |
| C | HOH681 |
| C | HOH711 |
| site_id | AE5 |
| Number of Residues | 6 |
| Details | binding site for residue PDO C 404 |
| Chain | Residue |
| A | GLU87 |
| A | GLY88 |
| A | HOH570 |
| C | ILE321 |
| C | SER326 |
| C | HOH605 |
| site_id | AE6 |
| Number of Residues | 8 |
| Details | binding site for residue PDO C 405 |
| Chain | Residue |
| C | TRP221 |
| C | GLU301 |
| C | ALA350 |
| C | GLU351 |
| C | HIS352 |
| C | ASP356 |
| C | CA402 |
| C | HOH621 |
| site_id | AE7 |
| Number of Residues | 6 |
| Details | binding site for residue PDO C 406 |
| Chain | Residue |
| C | PRO152 |
| C | ARG153 |
| C | VAL155 |
| C | GLU206 |
| C | HIS258 |
| C | HOH580 |
| site_id | AE8 |
| Number of Residues | 5 |
| Details | binding site for residue PDO C 407 |
| Chain | Residue |
| C | THR307 |
| C | GLY310 |
| C | HOH567 |
| C | HOH576 |
| C | HOH587 |
| site_id | AE9 |
| Number of Residues | 7 |
| Details | binding site for residue PDO C 408 |
| Chain | Residue |
| C | ARG271 |
| C | ILE279 |
| C | ARG280 |
| C | SER281 |
| C | ASP282 |
| C | MET290 |
| C | HOH643 |
| site_id | AF1 |
| Number of Residues | 8 |
| Details | binding site for residue PDO C 409 |
| Chain | Residue |
| A | ARG271 |
| A | SER337 |
| C | ALA267 |
| C | ASP268 |
| C | ARG271 |
| C | HOH504 |
| C | HOH555 |
| C | HOH702 |
| site_id | AF2 |
| Number of Residues | 11 |
| Details | binding site for residue MLI D 401 |
| Chain | Residue |
| D | GLY45 |
| D | ARG52 |
| D | SER83 |
| D | GLY84 |
| D | LYS161 |
| D | SER231 |
| D | ALA232 |
| D | ARG328 |
| D | SER347 |
| D | GLY348 |
| D | HOH557 |
| site_id | AF3 |
| 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 | PDO405 |
| site_id | AF4 |
| Number of Residues | 6 |
| Details | binding site for residue PDO D 403 |
| Chain | Residue |
| D | ARG271 |
| D | LYS275 |
| D | ILE279 |
| D | ARG280 |
| D | SER281 |
| D | ASP282 |
| site_id | AF5 |
| Number of Residues | 4 |
| Details | binding site for residue PDO D 404 |
| Chain | Residue |
| D | GLU5 |
| D | VAL6 |
| D | PHE7 |
| D | HOH502 |
| site_id | AF6 |
| Number of Residues | 10 |
| Details | binding site for residue PDO D 405 |
| Chain | Residue |
| D | TRP221 |
| D | GLU301 |
| D | ALA350 |
| D | GLU351 |
| D | HIS352 |
| D | GLY354 |
| D | ASP356 |
| D | CA402 |
| D | HOH504 |
| D | HOH560 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 4 |
| Details | ACT_SITE: ACT_SITE => ECO:0000255|HAMAP-Rule:MF_01989 |
| Chain | Residue | Details |
| A | LYS161 | |
| B | LYS161 | |
| C | LYS161 | |
| D | LYS161 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 4 |
| Details | ACT_SITE: Nucleophile => ECO:0000255|HAMAP-Rule:MF_01989 |
| Chain | Residue | Details |
| A | SER231 | |
| B | SER231 | |
| C | SER231 | |
| D | SER231 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 48 |
| Details | BINDING: BINDING => ECO:0000255|HAMAP-Rule:MF_01989 |
| Chain | Residue | Details |
| A | ARG52 | |
| A | GLY359 | |
| A | PRO360 | |
| A | VAL363 | |
| B | ARG52 | |
| B | SER83 | |
| B | ARG193 | |
| B | SER231 | |
| B | GLY306 | |
| B | ALA333 | |
| B | HIS352 | |
| A | SER83 | |
| B | PRO355 | |
| B | GLY358 | |
| B | GLY359 | |
| B | PRO360 | |
| B | VAL363 | |
| C | ARG52 | |
| C | SER83 | |
| C | ARG193 | |
| C | SER231 | |
| C | GLY306 | |
| A | ARG193 | |
| C | ALA333 | |
| C | HIS352 | |
| C | PRO355 | |
| C | GLY358 | |
| C | GLY359 | |
| C | PRO360 | |
| C | VAL363 | |
| D | ARG52 | |
| D | SER83 | |
| D | ARG193 | |
| A | SER231 | |
| D | SER231 | |
| D | GLY306 | |
| D | ALA333 | |
| D | HIS352 | |
| D | PRO355 | |
| D | GLY358 | |
| D | GLY359 | |
| D | PRO360 | |
| D | VAL363 | |
| A | GLY306 | |
| A | ALA333 | |
| A | HIS352 | |
| A | PRO355 | |
| A | GLY358 |
| site_id | SWS_FT_FI4 |
| Number of Residues | 4 |
| Details | SITE: Important for substrate specificity => ECO:0000255|HAMAP-Rule:MF_01989 |
| Chain | Residue | Details |
| A | ALA329 | |
| B | ALA329 | |
| C | ALA329 | |
| D | ALA329 |
