3PM5
Crystal Structure of BoxB in mixed valent state with bound benzoyl-CoA
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0005829 | cellular_component | cytosol |
| A | 0010124 | biological_process | phenylacetate catabolic process |
| A | 0016491 | molecular_function | oxidoreductase activity |
| A | 0019439 | biological_process | obsolete aromatic compound catabolic process |
| A | 0046872 | molecular_function | metal ion binding |
| A | 0051213 | molecular_function | dioxygenase activity |
| B | 0005829 | cellular_component | cytosol |
| B | 0010124 | biological_process | phenylacetate catabolic process |
| B | 0016491 | molecular_function | oxidoreductase activity |
| B | 0019439 | biological_process | obsolete aromatic compound catabolic process |
| B | 0046872 | molecular_function | metal ion binding |
| B | 0051213 | molecular_function | dioxygenase activity |
| C | 0005829 | cellular_component | cytosol |
| C | 0010124 | biological_process | phenylacetate catabolic process |
| C | 0016491 | molecular_function | oxidoreductase activity |
| C | 0019439 | biological_process | obsolete aromatic compound catabolic process |
| C | 0046872 | molecular_function | metal ion binding |
| C | 0051213 | molecular_function | dioxygenase activity |
| D | 0005829 | cellular_component | cytosol |
| D | 0010124 | biological_process | phenylacetate catabolic process |
| D | 0016491 | molecular_function | oxidoreductase activity |
| D | 0019439 | biological_process | obsolete aromatic compound catabolic process |
| D | 0046872 | molecular_function | metal ion binding |
| D | 0051213 | molecular_function | dioxygenase activity |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE SO4 C 482 |
| Chain | Residue |
| A | TYR4 |
| A | GLU6 |
| A | ARG7 |
| C | ARG106 |
| C | ARG167 |
| C | ASP168 |
| site_id | AC2 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE SO4 A 482 |
| Chain | Residue |
| A | ASN15 |
| D | LYS344 |
| A | ARG7 |
| A | ASN10 |
| A | LEU14 |
| site_id | AC3 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE SO4 C 483 |
| Chain | Residue |
| C | ASP343 |
| C | LEU413 |
| C | ILE414 |
| C | SER415 |
| D | SER107 |
| D | ARG110 |
| site_id | AC4 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE SO4 D 482 |
| Chain | Residue |
| C | HOH618 |
| D | THR420 |
| D | HIS421 |
| D | LYS424 |
| site_id | AC5 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE SO4 A 483 |
| Chain | Residue |
| A | ASP343 |
| A | LEU413 |
| A | ILE414 |
| A | SER415 |
| A | HOH637 |
| B | SER107 |
| B | ARG110 |
| site_id | AC6 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE SO4 A 484 |
| Chain | Residue |
| A | GLU178 |
| A | ASN186 |
| A | HOH530 |
| B | THR420 |
| B | HIS421 |
| B | LYS424 |
| site_id | AC7 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE SO4 C 484 |
| Chain | Residue |
| C | THR420 |
| C | LYS424 |
| C | HOH545 |
| D | GLU178 |
| D | HOH518 |
| site_id | AC8 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE CL A 485 |
| Chain | Residue |
| A | ARG110 |
| A | GLU172 |
| A | HOH534 |
| B | GLU416 |
| site_id | AC9 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE CL C 485 |
| Chain | Residue |
| C | GLU416 |
| D | ARG110 |
| D | HOH566 |
| site_id | BC1 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE CL A 486 |
| Chain | Residue |
| A | GLU416 |
| B | ARG110 |
| B | HOH624 |
| site_id | BC2 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE CL D 483 |
| Chain | Residue |
| C | ARG110 |
| D | GLU416 |
| D | HOH534 |
| site_id | BC3 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE PGO A 487 |
| Chain | Residue |
| A | ARG106 |
| A | GLY166 |
| A | ARG167 |
| A | ASP168 |
| site_id | BC4 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE PGO B 482 |
| Chain | Residue |
| B | HIS129 |
| B | THR133 |
| B | HIS437 |
| C | ARG442 |
| site_id | BC5 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE PGO D 484 |
| Chain | Residue |
| D | HIS396 |
| D | HOH556 |
| site_id | BC6 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE PGO B 483 |
| Chain | Residue |
| B | ARG442 |
| C | HIS129 |
| C | THR133 |
| C | HIS437 |
| site_id | BC7 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE GOL C 486 |
| Chain | Residue |
| D | PHE472 |
| D | ASN473 |
| site_id | BC8 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE GOL D 485 |
| Chain | Residue |
| D | ARG106 |
| D | ARG167 |
| D | ASP168 |
| site_id | BC9 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE PGE D 486 |
| Chain | Residue |
| C | ASP185 |
| D | SER202 |
| D | PHE290 |
| D | HIS423 |
| D | LEU427 |
| D | PRO428 |
| D | ARG433 |
| D | HOH540 |
| site_id | CC1 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE FE A 1001 |
| Chain | Residue |
| A | GLU120 |
| A | GLU150 |
| A | HIS153 |
| A | GLU240 |
| A | BYC1003 |
| site_id | CC2 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE FE A 1002 |
| Chain | Residue |
| A | GLU150 |
| A | ASP211 |
| A | GLU240 |
| A | HIS243 |
| site_id | CC3 |
| Number of Residues | 28 |
| Details | BINDING SITE FOR RESIDUE BYC A 1003 |
| Chain | Residue |
| A | LEU298 |
| A | GLY300 |
| A | ALA301 |
| A | SER304 |
| A | SER305 |
| A | ASN306 |
| A | TYR310 |
| A | LYS316 |
| A | ASN357 |
| A | ILE399 |
| A | HOH605 |
| A | FE1001 |
| B | LYS398 |
| B | GLY400 |
| B | ALA403 |
| B | ASP404 |
| B | BYC1003 |
| A | GLN116 |
| A | THR119 |
| A | GLU120 |
| A | SER123 |
| A | GLU150 |
| A | PHE193 |
| A | PHE206 |
| A | THR210 |
| A | ASP211 |
| A | ASP213 |
| A | GLY214 |
| site_id | CC4 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE FE B 1001 |
| Chain | Residue |
| B | GLU120 |
| B | GLU150 |
| B | HIS153 |
| B | GLU240 |
| B | FE1002 |
| B | BYC1003 |
| site_id | CC5 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE FE B 1002 |
| Chain | Residue |
| B | GLU150 |
| B | ASP211 |
| B | GLU240 |
| B | HIS243 |
| B | FE1001 |
| site_id | CC6 |
| Number of Residues | 30 |
| Details | BINDING SITE FOR RESIDUE BYC B 1003 |
| Chain | Residue |
| A | LYS398 |
| A | GLY400 |
| A | ALA403 |
| A | ASP404 |
| A | BYC1003 |
| B | GLN116 |
| B | THR119 |
| B | GLU120 |
| B | SER123 |
| B | GLU150 |
| B | PHE193 |
| B | PHE206 |
| B | THR210 |
| B | ASP211 |
| B | ASP213 |
| B | GLY214 |
| B | LEU298 |
| B | GLY300 |
| B | ALA301 |
| B | SER304 |
| B | ASN306 |
| B | TYR310 |
| B | LYS316 |
| B | ASN357 |
| B | ILE399 |
| B | HOH532 |
| B | HOH591 |
| B | HOH638 |
| B | HOH648 |
| B | FE1001 |
| site_id | CC7 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE FE C 1001 |
| Chain | Residue |
| C | GLU120 |
| C | GLU150 |
| C | HIS153 |
| C | GLU240 |
| C | FE1002 |
| C | BYC1003 |
| site_id | CC8 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE FE C 1002 |
| Chain | Residue |
| C | GLU150 |
| C | ASP211 |
| C | GLU240 |
| C | HIS243 |
| C | FE1001 |
| site_id | CC9 |
| Number of Residues | 27 |
| Details | BINDING SITE FOR RESIDUE BYC C 1003 |
| Chain | Residue |
| C | GLN116 |
| C | THR119 |
| C | GLU120 |
| C | SER123 |
| C | GLU150 |
| C | PHE193 |
| C | PHE206 |
| C | THR210 |
| C | ASP211 |
| C | ASP213 |
| C | GLY214 |
| C | GLN217 |
| C | LEU298 |
| C | GLY300 |
| C | ALA301 |
| C | SER304 |
| C | ASN306 |
| C | TYR310 |
| C | LYS316 |
| C | ASN357 |
| C | ILE399 |
| C | HOH575 |
| C | FE1001 |
| D | LYS398 |
| D | GLY400 |
| D | ALA403 |
| D | ASP404 |
| site_id | DC1 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE FE D 1001 |
| Chain | Residue |
| D | GLU120 |
| D | GLU150 |
| D | HIS153 |
| D | GLU240 |
| D | FE1002 |
| D | BYC1003 |
| site_id | DC2 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE FE D 1002 |
| Chain | Residue |
| D | GLU150 |
| D | ASP211 |
| D | GLU240 |
| D | HIS243 |
| D | FE1001 |
| site_id | DC3 |
| Number of Residues | 27 |
| Details | BINDING SITE FOR RESIDUE BYC D 1003 |
| Chain | Residue |
| C | LYS398 |
| C | GLY400 |
| C | ALA403 |
| C | ASP404 |
| D | GLN116 |
| D | THR119 |
| D | GLU120 |
| D | SER123 |
| D | GLU150 |
| D | PHE193 |
| D | PHE206 |
| D | THR210 |
| D | ASP211 |
| D | ASP213 |
| D | GLY214 |
| D | LEU298 |
| D | GLY300 |
| D | ALA301 |
| D | SER304 |
| D | SER305 |
| D | ASN306 |
| D | TYR310 |
| D | LYS316 |
| D | ASN357 |
| D | ILE399 |
| D | HOH586 |
| D | FE1001 |
