1SB3
Structure of 4-hydroxybenzoyl-CoA reductase from Thauera aromatica
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0005506 | molecular_function | iron ion binding |
| A | 0016491 | molecular_function | oxidoreductase activity |
| A | 0018525 | molecular_function | 4-hydroxybenzoyl-CoA reductase activity |
| B | 0016491 | molecular_function | oxidoreductase activity |
| B | 0018525 | molecular_function | 4-hydroxybenzoyl-CoA reductase activity |
| B | 0046872 | molecular_function | metal ion binding |
| B | 0050660 | molecular_function | flavin adenine dinucleotide binding |
| B | 0051539 | molecular_function | 4 iron, 4 sulfur cluster binding |
| B | 0071949 | molecular_function | FAD binding |
| C | 0016491 | molecular_function | oxidoreductase activity |
| C | 0018525 | molecular_function | 4-hydroxybenzoyl-CoA reductase activity |
| C | 0046872 | molecular_function | metal ion binding |
| C | 0051536 | molecular_function | iron-sulfur cluster binding |
| C | 0051537 | molecular_function | 2 iron, 2 sulfur cluster binding |
| D | 0005506 | molecular_function | iron ion binding |
| D | 0016491 | molecular_function | oxidoreductase activity |
| D | 0018525 | molecular_function | 4-hydroxybenzoyl-CoA reductase activity |
| E | 0016491 | molecular_function | oxidoreductase activity |
| E | 0018525 | molecular_function | 4-hydroxybenzoyl-CoA reductase activity |
| E | 0046872 | molecular_function | metal ion binding |
| E | 0050660 | molecular_function | flavin adenine dinucleotide binding |
| E | 0051539 | molecular_function | 4 iron, 4 sulfur cluster binding |
| E | 0071949 | molecular_function | FAD binding |
| F | 0016491 | molecular_function | oxidoreductase activity |
| F | 0018525 | molecular_function | 4-hydroxybenzoyl-CoA reductase activity |
| F | 0046872 | molecular_function | metal ion binding |
| F | 0051536 | molecular_function | iron-sulfur cluster binding |
| F | 0051537 | molecular_function | 2 iron, 2 sulfur cluster binding |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE SO4 D 1112 |
| Chain | Residue |
| D | ILE705 |
| D | GLU706 |
| D | VAL707 |
| D | HOH2172 |
| site_id | AC2 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE SO4 E 1113 |
| Chain | Residue |
| E | ALA26 |
| E | LEU28 |
| E | GLY45 |
| E | HIS46 |
| E | TYR141 |
| site_id | AC3 |
| Number of Residues | 40 |
| Details | BINDING SITE FOR RESIDUE PCD A 1920 |
| Chain | Residue |
| A | GLN214 |
| A | GLY243 |
| A | GLY244 |
| A | PHE245 |
| A | GLY246 |
| A | THR249 |
| A | MET357 |
| A | ARG358 |
| A | ILE481 |
| A | GLY482 |
| A | GLN483 |
| A | GLY484 |
| A | SER485 |
| A | SER520 |
| A | TYR521 |
| A | SER522 |
| A | SER523 |
| A | ARG524 |
| A | VAL525 |
| A | THR526 |
| A | VAL650 |
| A | LYS652 |
| A | LEU654 |
| A | ASN655 |
| A | ALA658 |
| A | VAL659 |
| A | GLN662 |
| A | ALA721 |
| A | LYS722 |
| A | GLU723 |
| A | ALA724 |
| A | SER725 |
| A | GLU726 |
| A | HOH1923 |
| A | HOH1965 |
| A | HOH2011 |
| A | HOH2049 |
| A | HOH2071 |
| C | GLN99 |
| C | CYS137 |
| site_id | AC4 |
| Number of Residues | 30 |
| Details | BINDING SITE FOR RESIDUE FAD B 1900 |
| Chain | Residue |
| B | PRO29 |
| B | GLY31 |
| B | ALA32 |
| B | GLY33 |
| B | THR34 |
| B | ASP35 |
| B | LEU36 |
| B | LEU53 |
| B | LEU78 |
| B | VAL101 |
| B | ALA102 |
| B | ALA110 |
| B | THR111 |
| B | GLY114 |
| B | ASN115 |
| B | CYS117 |
| B | GLN118 |
| B | GLY161 |
| B | ASP162 |
| B | LEU201 |
| B | LEU207 |
| B | LYS224 |
| B | VAL231 |
| B | ASP232 |
| B | PHE233 |
| B | HOH1932 |
| B | HOH1942 |
| B | HOH1959 |
| B | HOH1969 |
| C | GLY44 |
| site_id | AC5 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE SF4 B 1910 |
| Chain | Residue |
| B | CYS122 |
| B | CYS138 |
| B | LYS140 |
| B | CYS146 |
| B | HIS147 |
| B | CYS155 |
| B | TYR156 |
| B | ALA157 |
| site_id | AC6 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE FES C 1907 |
| Chain | Residue |
| A | MET191 |
| C | GLN99 |
| C | CYS100 |
| C | GLY101 |
| C | CYS103 |
| C | CYS135 |
| C | ARG136 |
| C | CYS137 |
| site_id | AC7 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE FES C 1908 |
| Chain | Residue |
| C | CYS46 |
| C | GLY47 |
| C | CYS49 |
| C | CYS61 |
| C | GLY40 |
| C | CYS41 |
| C | GLY44 |
| C | GLU45 |
| site_id | AC8 |
| Number of Residues | 39 |
| Details | BINDING SITE FOR RESIDUE PCD D 1921 |
| Chain | Residue |
| D | GLN214 |
| D | GLY243 |
| D | GLY244 |
| D | PHE245 |
| D | GLY246 |
| D | THR249 |
| D | MET357 |
| D | ARG358 |
| D | ILE481 |
| D | GLY482 |
| D | GLN483 |
| D | GLY484 |
| D | SER485 |
| D | SER520 |
| D | TYR521 |
| D | SER522 |
| D | SER523 |
| D | ARG524 |
| D | VAL525 |
| D | THR526 |
| D | VAL650 |
| D | LYS652 |
| D | LEU654 |
| D | ASN655 |
| D | ALA658 |
| D | VAL659 |
| D | GLN662 |
| D | ALA721 |
| D | LYS722 |
| D | GLU723 |
| D | ALA724 |
| D | SER725 |
| D | GLU726 |
| D | HOH1937 |
| D | HOH1962 |
| D | HOH2014 |
| D | HOH2045 |
| F | GLN99 |
| F | CYS137 |
| site_id | AC9 |
| Number of Residues | 30 |
| Details | BINDING SITE FOR RESIDUE FAD E 1901 |
| Chain | Residue |
| E | PRO29 |
| E | GLY31 |
| E | ALA32 |
| E | GLY33 |
| E | THR34 |
| E | ASP35 |
| E | LEU36 |
| E | LEU53 |
| E | LEU78 |
| E | VAL101 |
| E | ALA102 |
| E | THR111 |
| E | GLY114 |
| E | ASN115 |
| E | CYS117 |
| E | GLN118 |
| E | GLY161 |
| E | ASP162 |
| E | LEU201 |
| E | LEU206 |
| E | LEU207 |
| E | LYS224 |
| E | VAL231 |
| E | ASP232 |
| E | PHE233 |
| E | HOH1918 |
| E | HOH1928 |
| E | HOH1965 |
| E | HOH2007 |
| F | GLY44 |
| site_id | BC1 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE SF4 E 1911 |
| Chain | Residue |
| E | CYS122 |
| E | PHE124 |
| E | CYS138 |
| E | LYS140 |
| E | CYS146 |
| E | HIS147 |
| E | CYS155 |
| E | TYR156 |
| E | ALA157 |
| site_id | BC2 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE FES F 1917 |
| Chain | Residue |
| D | MET191 |
| F | GLN99 |
| F | CYS100 |
| F | GLY101 |
| F | CYS103 |
| F | CYS135 |
| F | ARG136 |
| F | CYS137 |
| site_id | BC3 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE FES F 1918 |
| Chain | Residue |
| F | GLN39 |
| F | GLY40 |
| F | CYS41 |
| F | GLY44 |
| F | GLU45 |
| F | CYS46 |
| F | GLY47 |
| F | CYS49 |
| F | CYS61 |
| site_id | BC4 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE EPE A 1111 |
| Chain | Residue |
| A | HIS453 |
| A | TRP454 |
| A | THR455 |
| A | GLY456 |
| A | HIS459 |
| A | GLN605 |
Functional Information from PROSITE/UniProt
| site_id | PS00107 |
| Number of Residues | 24 |
| Details | PROTEIN_KINASE_ATP Protein kinases ATP-binding region signature. LGGGFGARTEaLhfeiiagl..........LARK |
| Chain | Residue | Details |
| A | LEU241-LYS264 |
| site_id | PS00197 |
| Number of Residues | 9 |
| Details | 2FE2S_FER_1 2Fe-2S ferredoxin-type iron-sulfur binding region signature. CDGGECGAC |
| Chain | Residue | Details |
| C | CYS41-CYS49 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 16 |
| Details | BINDING: |
| Chain | Residue | Details |
| C | CYS41 | |
| F | CYS46 | |
| F | CYS49 | |
| F | CYS61 | |
| F | CYS100 | |
| F | CYS103 | |
| F | CYS135 | |
| F | CYS137 | |
| C | CYS46 | |
| C | CYS49 | |
| C | CYS61 | |
| C | CYS100 | |
| C | CYS103 | |
| C | CYS135 | |
| C | CYS137 | |
| F | CYS41 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 8 |
| Details | BINDING: |
| Chain | Residue | Details |
| B | CYS122 | |
| B | CYS138 | |
| B | CYS146 | |
| B | CYS155 | |
| E | CYS122 | |
| E | CYS138 | |
| E | CYS146 | |
| E | CYS155 |
Catalytic Information from CSA
| site_id | CSA1 |
| Number of Residues | 1 |
| Details | Annotated By Reference To The Literature 1fiq |
| Chain | Residue | Details |
| A | GLU723 |
| site_id | CSA2 |
| Number of Residues | 1 |
| Details | Annotated By Reference To The Literature 1fiq |
| Chain | Residue | Details |
| D | GLU723 |
| site_id | CSA3 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1fiq |
| Chain | Residue | Details |
| A | GLN214 | |
| A | ARG358 |
| site_id | CSA4 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1fiq |
| Chain | Residue | Details |
| D | GLN214 | |
| D | ARG358 |
| site_id | CSA5 |
| Number of Residues | 1 |
| Details | Annotated By Reference To The Literature 1fiq |
| Chain | Residue | Details |
| A | GLU726 |
| site_id | CSA6 |
| Number of Residues | 1 |
| Details | Annotated By Reference To The Literature 1fiq |
| Chain | Residue | Details |
| D | GLU726 |
