2PGN
The crystal structure of FAD and ThDP-dependent Cyclohexane-1,2-dione Hydrolase in Complex with Cyclohexane-1,2-dione
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0000287 | molecular_function | magnesium ion binding |
| A | 0003824 | molecular_function | catalytic activity |
| A | 0003984 | molecular_function | acetolactate synthase activity |
| A | 0005948 | cellular_component | acetolactate synthase complex |
| A | 0009097 | biological_process | isoleucine biosynthetic process |
| A | 0009099 | biological_process | L-valine biosynthetic process |
| A | 0016787 | molecular_function | hydrolase activity |
| A | 0019752 | biological_process | carboxylic acid metabolic process |
| A | 0030976 | molecular_function | thiamine pyrophosphate binding |
| A | 0046872 | molecular_function | metal ion binding |
| A | 0050660 | molecular_function | flavin adenine dinucleotide binding |
| B | 0000287 | molecular_function | magnesium ion binding |
| B | 0003824 | molecular_function | catalytic activity |
| B | 0003984 | molecular_function | acetolactate synthase activity |
| B | 0005948 | cellular_component | acetolactate synthase complex |
| B | 0009097 | biological_process | isoleucine biosynthetic process |
| B | 0009099 | biological_process | L-valine biosynthetic process |
| B | 0016787 | molecular_function | hydrolase activity |
| B | 0019752 | biological_process | carboxylic acid metabolic process |
| B | 0030976 | molecular_function | thiamine pyrophosphate binding |
| B | 0046872 | molecular_function | metal ion binding |
| B | 0050660 | molecular_function | flavin adenine dinucleotide binding |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE MG A 610 |
| Chain | Residue |
| A | ASP451 |
| A | ASN478 |
| A | SER480 |
| A | HOH1768 |
| site_id | AC2 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE MG B 611 |
| Chain | Residue |
| B | ASP451 |
| B | ASN478 |
| B | SER480 |
| B | HOH845 |
| site_id | AC3 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE P6G A 646 |
| Chain | Residue |
| A | LEU188 |
| A | THR303 |
| A | PRO305 |
| A | HOH1919 |
| A | LYS185 |
| site_id | AC4 |
| Number of Residues | 38 |
| Details | BINDING SITE FOR RESIDUE FAD A 612 |
| Chain | Residue |
| A | HIS153 |
| A | GLY213 |
| A | GLY214 |
| A | GLY215 |
| A | ARG218 |
| A | SER219 |
| A | THR239 |
| A | SER240 |
| A | THR241 |
| A | ALA257 |
| A | GLY258 |
| A | PHE259 |
| A | CYS260 |
| A | GLY261 |
| A | GLY279 |
| A | SER280 |
| A | ARG281 |
| A | LEU282 |
| A | SER283 |
| A | TRP285 |
| A | GLY286 |
| A | ASP302 |
| A | THR303 |
| A | ASP304 |
| A | ALA320 |
| A | ASP321 |
| A | ALA322 |
| A | SER420 |
| A | MET421 |
| A | ALA422 |
| A | GLY424 |
| A | HOH1604 |
| A | HOH1625 |
| A | HOH1637 |
| A | HOH1638 |
| A | HOH1649 |
| A | HOH1759 |
| A | HOH1764 |
| site_id | AC5 |
| Number of Residues | 37 |
| Details | BINDING SITE FOR RESIDUE FAD B 613 |
| Chain | Residue |
| B | HIS153 |
| B | GLY213 |
| B | GLY214 |
| B | GLY215 |
| B | ARG218 |
| B | SER219 |
| B | THR239 |
| B | SER240 |
| B | THR241 |
| B | ALA257 |
| B | GLY258 |
| B | PHE259 |
| B | CYS260 |
| B | GLY261 |
| B | GLY279 |
| B | SER280 |
| B | ARG281 |
| B | SER283 |
| B | TRP285 |
| B | GLY286 |
| B | ASP302 |
| B | THR303 |
| B | ASP304 |
| B | ASP321 |
| B | ALA322 |
| B | PHE406 |
| B | SER420 |
| B | MET421 |
| B | ALA422 |
| B | GLY424 |
| B | HOH650 |
| B | HOH655 |
| B | HOH673 |
| B | HOH699 |
| B | HOH719 |
| B | HOH837 |
| B | HOH840 |
| site_id | AC6 |
| Number of Residues | 22 |
| Details | BINDING SITE FOR RESIDUE TPP A 614 |
| Chain | Residue |
| A | ASN478 |
| A | SER480 |
| A | TYR481 |
| A | GLY482 |
| A | ALA483 |
| A | ASN484 |
| A | HOH1670 |
| A | HOH1768 |
| B | ILE26 |
| B | GLU52 |
| B | HIS76 |
| A | ILE398 |
| A | GLY399 |
| A | ASN400 |
| A | HIS401 |
| A | GLY424 |
| A | LEU426 |
| A | GLY450 |
| A | ASP451 |
| A | GLY452 |
| A | ALA453 |
| A | TYR456 |
| site_id | AC7 |
| Number of Residues | 22 |
| Details | BINDING SITE FOR RESIDUE TPP B 615 |
| Chain | Residue |
| A | ILE26 |
| A | GLU52 |
| A | HIS76 |
| B | ILE398 |
| B | GLY399 |
| B | ASN400 |
| B | HIS401 |
| B | GLY424 |
| B | LEU426 |
| B | GLY450 |
| B | ASP451 |
| B | GLY452 |
| B | ALA453 |
| B | TYR456 |
| B | ASN478 |
| B | SER480 |
| B | TYR481 |
| B | GLY482 |
| B | ALA483 |
| B | ASN484 |
| B | HOH708 |
| B | HOH845 |
| site_id | AC8 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE CXO B 601 |
| Chain | Residue |
| A | TRP285 |
| A | ASN484 |
| B | GLY27 |
| B | HIS28 |
| B | HIS76 |
| B | GLN116 |
| site_id | AC9 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE CXO A 1601 |
| Chain | Residue |
| A | GLY27 |
| A | HIS28 |
| A | HIS76 |
| A | GLN116 |
| B | TRP285 |
| B | ASN484 |
| site_id | BC1 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE P6G A 641 |
| Chain | Residue |
| A | TRP120 |
| A | ARG132 |
| A | HOH1700 |
| A | HOH1923 |
| B | HOH854 |
| site_id | BC2 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE P6G B 642 |
| Chain | Residue |
| B | ARG91 |
| B | THR124 |
| B | PRO125 |
| B | ALA127 |
| B | ARG128 |
| B | HOH964 |
| B | HOH1049 |
| site_id | BC3 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE P6G B 643 |
| Chain | Residue |
| A | HOH1776 |
| B | TRP120 |
| B | ARG132 |
| B | HOH789 |
| B | HOH1122 |
| B | HOH1158 |
| site_id | BC4 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE P6G A 644 |
| Chain | Residue |
| A | LYS510 |
| A | ALA511 |
| B | ASP504 |
| site_id | BC5 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE P6G A 645 |
| Chain | Residue |
| A | ARG91 |
| A | THR124 |
| A | PRO125 |
| A | ARG128 |
| A | HOH1948 |
| site_id | BC6 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE P6G A 647 |
| Chain | Residue |
| A | GLU466 |
| A | HOH1760 |
| B | GLU16 |
| B | HIS41 |
| B | GLU499 |
| B | MET501 |
| site_id | BC7 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE P6G B 648 |
| Chain | Residue |
| B | ARG389 |
| B | PRO441 |
| B | SER443 |
| B | ARG444 |
| B | HOH997 |
| B | HOH1113 |
| site_id | BC8 |
| Number of Residues | 11 |
| Details | BINDING SITE FOR RESIDUE P6G B 649 |
| Chain | Residue |
| B | TRP363 |
| B | GLU366 |
| B | GLN367 |
| B | ILE533 |
| B | ASP534 |
| B | GLY536 |
| B | SER546 |
| B | ASP554 |
| B | HOH929 |
| B | HOH997 |
| B | HOH1251 |
