4RNV
G303 Circular Permutation of Old Yellow Enzyme with the Inhibitor p-Hydroxybenzaldehyde
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0010181 | molecular_function | FMN binding |
| A | 0016491 | molecular_function | oxidoreductase activity |
| B | 0010181 | molecular_function | FMN binding |
| B | 0016491 | molecular_function | oxidoreductase activity |
| C | 0010181 | molecular_function | FMN binding |
| C | 0016491 | molecular_function | oxidoreductase activity |
| D | 0010181 | molecular_function | FMN binding |
| D | 0016491 | molecular_function | oxidoreductase activity |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 17 |
| Details | BINDING SITE FOR RESIDUE FMN A 501 |
| Chain | Residue |
| A | GLY24 |
| A | THR136 |
| A | GLY171 |
| A | GLN213 |
| A | HIS290 |
| A | ARG342 |
| A | HBA502 |
| A | HOH612 |
| A | HOH635 |
| A | ASN25 |
| A | TYR46 |
| A | GLY47 |
| A | ARG48 |
| A | TYR75 |
| A | PRO133 |
| A | PRO134 |
| A | LEU135 |
| site_id | AC2 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE HBA A 502 |
| Chain | Residue |
| A | TYR75 |
| A | THR136 |
| A | HIS290 |
| A | ASN293 |
| A | TYR295 |
| A | FMN501 |
| site_id | AC3 |
| Number of Residues | 18 |
| Details | BINDING SITE FOR RESIDUE FMN B 501 |
| Chain | Residue |
| B | GLY24 |
| B | ASN25 |
| B | TYR46 |
| B | GLY47 |
| B | ARG48 |
| B | TYR75 |
| B | PRO133 |
| B | PRO134 |
| B | LEU135 |
| B | THR136 |
| B | GLY171 |
| B | GLN213 |
| B | HIS290 |
| B | ASN293 |
| B | ARG342 |
| B | HBA502 |
| B | HOH604 |
| B | HOH670 |
| site_id | AC4 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE HBA B 502 |
| Chain | Residue |
| B | TYR75 |
| B | THR136 |
| B | HIS290 |
| B | ASN293 |
| B | TYR295 |
| B | FMN501 |
| site_id | AC5 |
| Number of Residues | 15 |
| Details | BINDING SITE FOR RESIDUE FMN C 501 |
| Chain | Residue |
| C | GLY24 |
| C | ASN25 |
| C | GLY47 |
| C | ARG48 |
| C | TYR75 |
| C | PRO133 |
| C | PRO134 |
| C | LEU135 |
| C | THR136 |
| C | GLY171 |
| C | GLN213 |
| C | HIS290 |
| C | ARG342 |
| C | HBA502 |
| C | HOH655 |
| site_id | AC6 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE HBA C 502 |
| Chain | Residue |
| C | TYR75 |
| C | TRP215 |
| C | HIS290 |
| C | ASN293 |
| C | TYR295 |
| C | FMN501 |
| site_id | AC7 |
| Number of Residues | 16 |
| Details | BINDING SITE FOR RESIDUE FMN D 501 |
| Chain | Residue |
| D | GLY24 |
| D | ASN25 |
| D | TYR46 |
| D | GLY47 |
| D | ARG48 |
| D | TYR75 |
| D | PRO133 |
| D | PRO134 |
| D | LEU135 |
| D | THR136 |
| D | GLY171 |
| D | GLN213 |
| D | HIS290 |
| D | ASN293 |
| D | ARG342 |
| D | HBA502 |
| site_id | AC8 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE HBA D 502 |
| Chain | Residue |
| D | TYR75 |
| D | TRP215 |
| D | HIS290 |
| D | ASN293 |
| D | TYR295 |
| D | FMN501 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 4 |
| Details | ACT_SITE: Proton donor => ECO:0000305|PubMed:9830020 |
| Chain | Residue | Details |
| A | TYR295 | |
| B | TYR295 | |
| C | TYR295 | |
| D | TYR295 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 16 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:11668181, ECO:0000269|PubMed:7881908, ECO:0000269|PubMed:9830019 |
| Chain | Residue | Details |
| A | THR136 | |
| C | GLN213 | |
| C | ARG342 | |
| C | ARG48 | |
| D | THR136 | |
| D | GLN213 | |
| D | ARG342 | |
| D | ARG48 | |
| A | GLN213 | |
| A | ARG342 | |
| A | ARG48 | |
| B | THR136 | |
| B | GLN213 | |
| B | ARG342 | |
| B | ARG48 | |
| C | THR136 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 12 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:11668181, ECO:0000269|PubMed:7881908 |
| Chain | Residue | Details |
| A | HIS290 | |
| D | HIS290 | |
| D | ASN293 | |
| D | TYR75 | |
| A | ASN293 | |
| A | TYR75 | |
| B | HIS290 | |
| B | ASN293 | |
| B | TYR75 | |
| C | HIS290 | |
| C | ASN293 | |
| C | TYR75 |
Catalytic Information from CSA
| site_id | MCSA1 |
| Number of Residues | 5 |
| Details | M-CSA 319 |
| Chain | Residue | Details |
| A | THR136 | electrostatic stabiliser, hydrogen bond donor |
| A | HIS290 | electrostatic stabiliser, hydrogen bond donor |
| A | ASN293 | electrostatic stabiliser, hydrogen bond donor |
| A | TYR295 | electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| A | ASN350 | hydrogen bond donor, increase acidity |
| site_id | MCSA2 |
| Number of Residues | 5 |
| Details | M-CSA 319 |
| Chain | Residue | Details |
| B | THR136 | electrostatic stabiliser, hydrogen bond donor |
| B | HIS290 | electrostatic stabiliser, hydrogen bond donor |
| B | ASN293 | electrostatic stabiliser, hydrogen bond donor |
| B | TYR295 | electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| B | ASN350 | hydrogen bond donor, increase acidity |
| site_id | MCSA3 |
| Number of Residues | 5 |
| Details | M-CSA 319 |
| Chain | Residue | Details |
| C | THR136 | electrostatic stabiliser, hydrogen bond donor |
| C | HIS290 | electrostatic stabiliser, hydrogen bond donor |
| C | ASN293 | electrostatic stabiliser, hydrogen bond donor |
| C | TYR295 | electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| C | ASN350 | hydrogen bond donor, increase acidity |
| site_id | MCSA4 |
| Number of Residues | 5 |
| Details | M-CSA 319 |
| Chain | Residue | Details |
| D | THR136 | electrostatic stabiliser, hydrogen bond donor |
| D | HIS290 | electrostatic stabiliser, hydrogen bond donor |
| D | ASN293 | electrostatic stabiliser, hydrogen bond donor |
| D | TYR295 | electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| D | ASN350 | hydrogen bond donor, increase acidity |
