7AQU
Flavin-dependent tryptophan halogenase Thal: N-terminally His-tagged form of quintuple mutant (NHis-Thal-RebH5)
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0000166 | molecular_function | nucleotide binding |
| A | 0004497 | molecular_function | monooxygenase activity |
| A | 0016491 | molecular_function | oxidoreductase activity |
| B | 0000166 | molecular_function | nucleotide binding |
| B | 0004497 | molecular_function | monooxygenase activity |
| B | 0016491 | molecular_function | oxidoreductase activity |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 6 |
| Details | binding site for residue BCN A 601 |
| Chain | Residue |
| A | ASN30 |
| A | VAL32 |
| A | LYS33 |
| A | ILE34 |
| A | GLN189 |
| A | ALA190 |
| site_id | AC2 |
| Number of Residues | 7 |
| Details | binding site for residue GOL A 602 |
| Chain | Residue |
| A | GLU500 |
| A | PHE503 |
| A | HOH733 |
| A | HOH798 |
| A | LYS130 |
| A | THR136 |
| A | GLU138 |
| site_id | AC3 |
| Number of Residues | 7 |
| Details | binding site for residue GOL A 603 |
| Chain | Residue |
| A | ASP119 |
| A | LYS492 |
| A | HOH727 |
| A | HOH1035 |
| B | TYR23 |
| B | TYR62 |
| B | HIS370 |
| site_id | AC4 |
| Number of Residues | 8 |
| Details | binding site for residue GOL A 604 |
| Chain | Residue |
| A | THR15 |
| A | GLU49 |
| A | LEU349 |
| A | GLY361 |
| A | ILE362 |
| A | ILE365 |
| A | HOH775 |
| A | HOH850 |
| site_id | AC5 |
| Number of Residues | 7 |
| Details | binding site for residue GLY A 605 |
| Chain | Residue |
| A | PHE159 |
| A | LEU160 |
| A | ASP161 |
| A | ASP301 |
| A | HIS302 |
| A | HOH740 |
| A | HOH1084 |
| site_id | AC6 |
| Number of Residues | 8 |
| Details | binding site for residue GLY A 606 |
| Chain | Residue |
| A | HIS302 |
| A | PHE303 |
| A | PRO417 |
| A | SER516 |
| A | HOH740 |
| A | HOH743 |
| A | HOH830 |
| A | HOH1001 |
| site_id | AC7 |
| Number of Residues | 8 |
| Details | binding site for residue GLY A 607 |
| Chain | Residue |
| A | PRO53 |
| A | TYR454 |
| A | TYR455 |
| A | GLU461 |
| A | PHE465 |
| A | ASN470 |
| A | HOH888 |
| A | HOH945 |
| site_id | AC8 |
| Number of Residues | 3 |
| Details | binding site for residue ALA A 608 |
| Chain | Residue |
| A | TYR409 |
| A | HOH973 |
| A | HOH1076 |
| site_id | AC9 |
| Number of Residues | 6 |
| Details | binding site for residue SER A 609 |
| Chain | Residue |
| A | ASN3 |
| A | ASP378 |
| A | HOH841 |
| A | HOH895 |
| B | ASN484 |
| B | HOH857 |
| site_id | AD1 |
| Number of Residues | 11 |
| Details | binding site for residue GOL B 601 |
| Chain | Residue |
| A | TYR23 |
| A | ALA27 |
| A | TYR62 |
| A | HIS370 |
| A | ALA373 |
| B | ASP119 |
| B | GLN120 |
| B | ILE121 |
| B | LYS492 |
| B | HOH708 |
| B | HOH871 |
| site_id | AD2 |
| Number of Residues | 6 |
| Details | binding site for residue GOL B 602 |
| Chain | Residue |
| B | LYS130 |
| B | THR136 |
| B | GLU138 |
| B | ALA143 |
| B | GLU500 |
| B | PHE503 |
| site_id | AD3 |
| Number of Residues | 6 |
| Details | binding site for residue GLY B 603 |
| Chain | Residue |
| B | ASN30 |
| B | VAL32 |
| B | ILE34 |
| B | GLN189 |
| B | ALA190 |
| B | HOH820 |
| site_id | AD4 |
| Number of Residues | 8 |
| Details | binding site for residue GLY B 604 |
| Chain | Residue |
| A | ASP322 |
| B | GLY14 |
| B | TRP18 |
| B | GLU38 |
| B | SER175 |
| B | ALA178 |
| B | ALA179 |
| B | ARG182 |
| site_id | AD5 |
| Number of Residues | 7 |
| Details | binding site for residue GLY B 605 |
| Chain | Residue |
| B | LEU11 |
| B | LEU37 |
| B | ALA39 |
| B | ASP196 |
| B | GLU197 |
| B | MET198 |
| B | HOH893 |
| site_id | AD6 |
| Number of Residues | 7 |
| Details | binding site for residue GLY B 606 |
| Chain | Residue |
| B | GLU49 |
| B | LEU349 |
| B | GLY361 |
| B | ILE362 |
| B | HOH778 |
| B | HOH811 |
| B | THR15 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 2 |
| Details | Active site: {"evidences":[{"source":"PubMed","id":"30559288","evidenceCode":"ECO:0000305"},{"source":"PubMed","id":"33465708","evidenceCode":"ECO:0000305"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 15 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"31589794","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"33465708","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"6SLS","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"6SLT","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"7CU1","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI3 |
| Number of Residues | 2 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"33465708","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"7CU1","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI4 |
| Number of Residues | 2 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"31589794","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"6SLS","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI5 |
| Number of Residues | 2 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"31589794","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"6SLS","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"6SLT","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI6 |
| Number of Residues | 10 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"30559288","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"31589794","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"33465708","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"6H44","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"6SLT","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"7CU0","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI7 |
| Number of Residues | 4 |
| Details | Binding site: {"evidences":[{"source":"UniProtKB","id":"E9P162","evidenceCode":"ECO:0000250"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI8 |
| Number of Residues | 2 |
| Details | Site: {"description":"Important for activity","evidences":[{"source":"UniProtKB","id":"P95480","evidenceCode":"ECO:0000250"}]} |
| Chain | Residue | Details |
